File size: 101,088 Bytes
4f5540c
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617
618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
637
638
639
640
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
657
658
659
660
661
662
663
664
665
666
667
668
669
670
671
672
673
674
675
676
677
678
679
680
681
682
683
684
685
686
687
688
689
690
691
692
693
694
695
696
697
698
699
700
701
702
703
704
705
706
707
708
709
710
711
712
713
714
715
716
717
718
719
720
721
722
723
724
725
726
727
728
729
730
731
732
733
734
735
736
737
738
739
740
741
742
743
744
745
746
747
748
749
750
751
752
753
754
755
756
757
758
759
760
761
762
763
764
765
766
767
768
769
770
771
772
773
774
775
776
777
778
779
780
781
782
783
784
785
786
787
788
789
790
791
792
793
794
795
796
797
798
799
800
801
802
803
804
805
806
807
808
809
810
811
812
813
814
815
816
817
818
819
820
821
822
823
824
825
826
827
828
829
830
831
832
833
834
835
836
837
838
839
840
841
842
843
844
845
846
847
848
849
850
851
852
853
854
855
856
857
858
859
860
861
862
863
864
865
866
867
868
869
870
871
872
873
874
875
876
877
878
879
880
881
882
883
884
885
886
887
888
889
890
891
892
893
894
895
896
897
898
899
900
901
902
903
904
905
906
907
908
909
910
911
912
913
914
915
916
917
918
919
920
921
922
923
924
925
926
927
928
929
930
931
932
933
934
935
936
937
938
939
940
941
942
943
944
945
946
947
948
949
950
951
952
953
954
955
956
957
958
959
960
961
962
963
964
965
966
967
968
969
970
971
972
973
974
975
976
977
978
979
980
981
982
983
984
985
986
987
988
989
990
991
992
993
994
995
996
997
998
999
1000
1001
1002
1003
1004
1005
1006
1007
1008
1009
1010
1011
1012
1013
1014
1015
1016
1017
1018
1019
1020
1021
1022
1023
1024
1025
1026
1027
1028
1029
1030
1031
1032
1033
1034
1035
1036
1037
1038
1039
1040
1041
1042
1043
1044
1045
1046
1047
1048
1049
1050
1051
1052
1053
1054
1055
1056
1057
1058
1059
1060
1061
1062
1063
1064
1065
1066
1067
1068
1069
1070
1071
1072
1073
1074
1075
1076
1077
1078
1079
1080
1081
1082
1083
1084
1085
1086
1087
1088
1089
1090
1091
1092
1093
1094
1095
1096
1097
1098
1099
1100
1101
1102
1103
1104
1105
1106
1107
1108
1109
1110
1111
1112
1113
1114
1115
1116
1117
1118
1119
1120
1121
1122
1123
1124
1125
1126
1127
1128
1129
1130
1131
1132
1133
1134
1135
1136
1137
1138
1139
1140
1141
1142
1143
1144
1145
1146
1147
1148
1149
1150
1151
1152
1153
1154
1155
1156
1157
1158
1159
1160
1161
1162
1163
1164
1165
1166
1167
1168
1169
1170
1171
1172
1173
1174
1175
1176
1177
1178
1179
1180
1181
1182
1183
1184
1185
1186
1187
1188
1189
1190
1191
1192
1193
1194
1195
1196
1197
1198
1199
1200
1201
1202
1203
1204
1205
1206
1207
1208
1209
1210
1211
1212
1213
1214
1215
1216
1217
1218
1219
1220
1221
1222
1223
1224
1225
1226
1227
1228
1229
1230
1231
1232
1233
1234
1235
1236
1237
1238
1239
1240
1241
1242
1243
1244
1245
1246
1247
1248
1249
1250
1251
1252
1253
1254
1255
1256
1257
1258
1259
1260
1261
1262
1263
1264
1265
1266
1267
1268
1269
1270
1271
1272
1273
1274
1275
1276
1277
1278
1279
1280
1281
1282
1283
1284
1285
1286
1287
1288
1289
1290
1291
1292
1293
1294
1295
1296
1297
1298
1299
1300
1301
1302
1303
1304
1305
1306
1307
1308
1309
1310
1311
1312
1313
1314
1315
1316
1317
1318
1319
1320
1321
1322
1323
1324
1325
1326
1327
1328
1329
1330
1331
1332
1333
1334
1335
1336
1337
1338
1339
1340
1341
1342
1343
1344
1345
1346
1347
1348
1349
1350
1351
1352
1353
1354
1355
1356
1357
1358
1359
1360
1361
1362
1363
1364
1365
1366
1367
1368
1369
1370
1371
1372
1373
1374
1375
1376
1377
1378
1379
1380
1381
1382
1383
1384
1385
1386
1387
1388
1389
1390
1391
1392
1393
1394
1395
1396
1397
1398
1399
1400
1401
1402
1403
1404
1405
1406
1407
1408
1409
1410
1411
1412
1413
1414
1415
1416
1417
1418
1419
1420
1421
1422
1423
1424
1425
1426
1427
1428
1429
1430
1431
1432
1433
1434
1435
1436
1437
1438
1439
1440
1441
1442
1443
1444
1445
1446
1447
1448
1449
1450
1451
1452
1453
1454
1455
1456
1457
1458
1459
1460
1461
1462
1463
1464
1465
1466
1467
1468
1469
1470
1471
1472
1473
1474
1475
1476
1477
1478
1479
1480
1481
1482
1483
1484
1485
1486
1487
1488
1489
1490
1491
1492
1493
1494
1495
1496
1497
1498
1499
1500
1501
1502
1503
1504
1505
1506
1507
1508
1509
1510
1511
1512
1513
1514
1515
1516
1517
1518
1519
1520
1521
1522
1523
1524
1525
1526
1527
1528
1529
1530
1531
1532
1533
1534
1535
1536
1537
1538
1539
1540
1541
1542
1543
1544
1545
1546
1547
1548
1549
1550
1551
1552
1553
1554
1555
1556
1557
1558
1559
1560
1561
1562
1563
1564
1565
1566
1567
1568
1569
1570
1571
1572
1573
1574
1575
1576
1577
1578
1579
1580
1581
1582
1583
1584
1585
1586
1587
1588
1589
1590
1591
1592
1593
1594
1595
1596
1597
1598
1599
1600
1601
1602
1603
1604
1605
1606
1607
1608
1609
1610
1611
1612
1613
1614
1615
1616
1617
1618
1619
1620
1621
1622
1623
1624
1625
1626
1627
1628
1629
1630
1631
1632
1633
  32
        -46.91371210
 O         -1.6955334866       -1.2085533992       -1.2290548217
 C         -2.0834021749       -0.9005410445       -0.0109341002
 O         -1.5756852668       -1.3661661278        0.9897380994
 C         -3.1838923923        0.1254524975        0.0253000034
 C         -2.6161866898        1.5034871138       -0.3601593329
 C         -1.3864327868        1.9008584502        0.4722383996
 C         -0.0682708405        1.7010263463       -0.2819935057
 C          1.1360024196        1.8186043872        0.6509112651
 C          2.4860102227        1.8001867562       -0.0695569572
 C          2.8192253668        0.5283382056       -0.8534254545
 C          2.8767372608       -0.7463130377        0.0061227473
 C          1.5058298552       -1.3611842101        0.1226794659
 O          0.8759635427       -1.7523208643       -0.8402607429
 O          1.0482991803       -1.4154684976        1.3533636892
 H          0.0812440902       -1.6482693869        1.3694993623
 H          3.5218168447       -1.4761068612       -0.4862938679
 H          3.2667268032       -0.5325272570        1.0003635230
 H          3.7966225405        0.6755054526       -1.3174081832
 H          2.0968166186        0.3761604827       -1.6568269405
 H          2.5208790441        2.6399693349       -0.7685881683
 H          3.2702481904        1.9620018746        0.6746114554
 H          1.1008922755        1.0175855401        1.3900431491
 H          1.0622550301        2.7636305663        1.1960433112
 H         -0.0653256279        0.7228329590       -0.7610597059
 H          0.0090391362        2.4509943667       -1.0734998002
 H         -1.3664690529        1.3117684542        1.3916135016
 H         -1.4621711804        2.9503248046        0.7639182390
 H         -3.4135149658        2.2357692193       -0.2244266894
 H         -2.3511941769        1.4927617996       -1.4185999822
 H         -3.9635512978       -0.1558509112       -0.6827104885
 H         -3.5955466760        0.1577657173        1.0342580864
 H         -0.8311174315       -1.6971268799       -1.2160530716
  32
        -46.91346834
 O         -1.0914720523       -1.5680519973        1.1133540708
 C         -1.5677364715       -1.3315381080       -0.0887516296
 O         -0.9772193612       -1.6257814694       -1.1099567390
 C         -2.9132142610       -0.6552760069       -0.0613753109
 C         -2.8546081603        0.6839128138        0.6915329978
 C         -2.3815157989        1.8646013626       -0.1591919830
 C         -0.9598996487        1.7737705909       -0.7183806723
 C          0.1304743207        1.6831975710        0.3498646084
 C          1.5232425012        1.9342122193       -0.2420667012
 C          2.6548879403        1.3646975092        0.6266760199
 C          3.1820872295        0.0094319183        0.1160204015
 C          2.0303351288       -0.9451006109       -0.0509207582
 O          1.5379656878       -1.5773071896        0.8635119422
 O          1.5825602494       -0.9873864517       -1.2849015384
 H          0.7027480590       -1.4503576710       -1.3540160284
 H          3.6672580201        0.1436751970       -0.8504314084
 H          3.8909909688       -0.3979868216        0.8367891822
 H          2.3040802397        1.2452194605        1.6532760699
 H          3.4990817409        2.0557926186        0.6433045097
 H          1.5764320414        1.4876702783       -1.2367542007
 H          1.6604955022        3.0101113191       -0.3651051921
 H          0.1057735697        0.7000852115        0.8189151093
 H         -0.0639468991        2.4190573619        1.1342381276
 H         -0.8805065590        0.9183342402       -1.3905930314
 H         -0.7839756476        2.6719206302       -1.3165878330
 H         -2.4562877284        2.7661340432        0.4547550761
 H         -3.0699793783        1.9843436324       -0.9998044235
 H         -2.2164976208        0.5696047141        1.5682136283
 H         -3.8606294802        0.9178307050        1.0463860571
 H         -3.2635297203       -0.5139798475       -1.0838589512
 H         -3.5991701518       -1.3239079658        0.4620836194
 H         -0.1338958625       -1.8450130281        1.0920424416
  32
        -46.91294631
 O         -1.5686848949       -1.3656869004        1.0734673153
 C         -1.8754115260       -1.0985777681       -0.1772763369
 O         -1.2872176849       -1.5873202248       -1.1226627611
 C         -3.0211893482       -0.1281964402       -0.3199492202
 C         -2.8293165390        1.1231987729        0.5485584216
 C         -1.7392538686        2.0742930308        0.0469512889
 C         -0.3590997228        1.4230686839       -0.0240484392
 C          0.7742835895        2.4258621570       -0.2333280492
 C          2.1055351611        1.7331848753       -0.5417290937
 C          2.6869995760        0.9394002596        0.6411790278
 C          3.0130276940       -0.5247812808        0.2904632590
 C          1.7258621181       -1.2750226266        0.0691204813
 O          1.0606853714       -1.7400582479        0.9724750820
 O          1.3681719707       -1.3351081040       -1.1954723505
 H          0.4392236001       -1.6731877894       -1.3020175325
 H          3.6225511045       -0.5680847847       -0.6111807674
 H          3.5454303375       -0.9838587760        1.1239051849
 H          1.9891673687        0.9432957174        1.4797122179
 H          3.6082803881        1.4108803045        0.9863709626
 H          1.9525904555        1.0640323326       -1.3903266837
 H          2.8257572603        2.4909528810       -0.8558493203
 H          0.8812512611        3.0575557550        0.6515019026
 H          0.5204299669        3.0749828126       -1.0747756534
 H         -0.1834043773        0.8668408230        0.8985594627
 H         -0.3434190646        0.7233175461       -0.8594975640
 H         -1.6983888246        2.9287924858        0.7271723464
 H         -2.0106521309        2.4527323125       -0.9414169359
 H         -2.5930230537        0.8053229095        1.5653338145
 H         -3.7761405344        1.6664629482        0.5777960240
 H         -3.1240847691        0.1350058091       -1.3732716475
 H         -3.9286749334       -0.6436406266        0.0022068213
 H         -0.6851973018       -1.8129305521        1.1422052724
  32
        -46.91279254
 O         -1.3904413905       -1.4200487004        1.3142417672
 C         -1.7912033887       -1.1772664232        0.0837811596
 O         -1.2330248610       -1.6213003179       -0.8985624312
 C         -2.9931503035       -0.2749367511        0.0071880005
 C         -2.6197740562        1.0555471127       -0.6681139619
 C         -1.9152941526        2.0555259857        0.2524369591
 C         -0.4564357269        1.7513768391        0.6064679228
 C          0.4761639282        1.7510557758       -0.6074457599
 C          1.9365411171        2.0461812202       -0.2522960416
 C          2.6353537177        1.0374012807        0.6628022670
 C          2.9884491965       -0.2963343556       -0.0165086313
 C          1.7771989883       -1.1872639093       -0.0818917670
 O          1.2159630122       -1.6154374411        0.9057100938
 O          1.3732733960       -1.4400263850       -1.3092991495
 H          0.4637371744       -1.8343333333       -1.3102522132
 H          3.3710549997       -0.1310362468       -1.0230093441
 H          3.7454471496       -0.8051507779        0.5827835649
 H          2.0215827870        0.8339893826        1.5413050767
 H          3.5668505688        1.4914938981        1.0075381917
 H          2.5087281792        2.1282923022       -1.1799720746
 H          1.9737058684        3.0219962413        0.2398899543
 H          0.1476802877        2.5328159702       -1.2981618910
 H          0.4071451488        0.8032601733       -1.1391449429
 H         -0.1238766565        2.5291614954        1.2997142119
 H         -0.3919714262        0.8016143086        1.1350361567
 H         -2.4871808993        2.1363447272        1.1803825618
 H         -1.9468947038        3.0339492384       -0.2349374736
 H         -3.5439923200        1.5203562283       -1.0181710031
 H         -2.0030004174        0.8461928398       -1.5431141027
 H         -3.7492013882       -0.7754354530       -0.6001492826
 H         -3.3838049504       -0.1056644087        1.0099078983
 H         -0.4836899507       -1.8203538127        1.3202628181
  32
        -46.91256647
 O         -1.2038629029       -1.0721030986        1.3877480999
 C         -1.6992615804       -1.2924041399        0.1897329855
 O         -1.1338693066       -1.9616321212       -0.6519612439
 C         -3.0064770492       -0.5907297999       -0.0668878637
 C         -2.7183313465        0.7682386010       -0.7347198230
 C         -2.1749916058        1.8300618726        0.2375050623
 C         -0.8234148472        2.4266923551       -0.1697015030
 C          0.3229505232        1.4443451981        0.0592849161
 C          1.7062592692        2.0449678666       -0.1870679860
 C          2.8373687249        1.2027211551        0.4098234805
 C          3.0605389886       -0.1421970974       -0.2935917803
 C          1.9009422484       -1.0807293367       -0.0736024851
 O          1.4380072137       -1.3410628217        1.0186095636
 O          1.4313004688       -1.5839773678       -1.1962442768
 H          0.5613227150       -2.0423663515       -1.0563576132
 H          3.1987159180       -0.0057505063       -1.3661251966
 H          3.9548012873       -0.6117321582        0.1220080057
 H          2.6249987247        1.0112870631        1.4635699770
 H          3.7672074767        1.7720373063        0.3503572139
 H          1.8701230763        2.1763391865       -1.2589707742
 H          1.7462874900        3.0342494454        0.2759450198
 H          0.1801954473        0.5855011751       -0.5960090313
 H          0.2740849180        1.0979913294        1.0938334105
 H         -0.8525817196        2.7337963032       -1.2174814661
 H         -0.6454175013        3.3215119577        0.4316411423
 H         -2.0670523304        1.3934271753        1.2319224769
 H         -2.9001600068        2.6419410894        0.3183598069
 H         -3.6500583522        1.1216307724       -1.1788029876
 H         -2.0139667437        0.6073623908       -1.5529834023
 H         -3.5993415759       -1.2055391450       -0.7446382903
 H         -3.5430802062       -0.4452812990        0.8694506916
 H         -0.2607268417       -1.3787754608        1.4525606480
  32
        -46.91205766
 O         -0.9664154868       -1.5303376684       -1.2851991797
 C         -1.4935098538       -1.5288774639       -0.0805746957
 O         -0.9147142946       -1.9500849972        0.9009054131
 C         -2.8607737138       -0.8944556655       -0.0412211618
 C         -2.7091551540        0.6069007972       -0.3322026861
 C         -1.9332222856        1.3345440732        0.7712335915
 C         -1.2425309327        2.6070231704        0.2709473611
 C          0.0125001001        2.3289211992       -0.5624580398
 C          1.2035120054        1.8842477799        0.2883042007
 C          2.3712679683        1.3669676254       -0.5655597713
 C          3.0718765813        0.1528445376        0.0698379279
 C          2.0618121646       -0.9645061997        0.1156992064
 O          1.6581406259       -1.5405880373       -0.8742422859
 O          1.5963589091       -1.1955996291        1.3245259299
 H          0.7768086321       -1.7578135913        1.3040766294
 H          3.9169349453       -0.1455450637       -0.5506967542
 H          3.4100315200        0.3823415504        1.0791963499
 H          3.1059514661        2.1572354069       -0.7234578952
 H          2.0010886910        1.0595579712       -1.5461163621
 H          1.5365252879        2.7174324876        0.9100355704
 H          0.8758249133        1.0965040238        0.9667198254
 H          0.2849052738        3.2314263054       -1.1140451217
 H         -0.2076088116        1.5519627382       -1.2974745183
 H         -1.9537427897        3.1788608030       -0.3293027905
 H         -0.9642911927        3.2236473430        1.1281864492
 H         -1.1851740760        0.6639242796        1.1953101133
 H         -2.6205247829        1.5933651689        1.5791012330
 H         -3.7001427231        1.0508824694       -0.4403394641
 H         -2.1932656888        0.7147014705       -1.2873124137
 H         -3.4847454430       -1.3530520157       -0.8087697474
 H         -3.3037793478       -1.0564012361        0.9411822286
 H         -0.0032135127       -1.7767477497       -1.2673744949
  32
        -46.91188129
 O         -1.3832641775       -1.2561621557       -1.2104499717
 C         -1.7876941191       -1.2333085901        0.0388537836
 O         -1.1955528628       -1.7893017729        0.9427961492
 C         -3.0380506015       -0.4165858529        0.2492386463
 C         -2.8035334574        1.0267385830       -0.2179378536
 C         -1.5980959234        1.6894117269        0.4755951905
 C         -0.5483134147        2.1663977288       -0.5307652568
 C          0.7092740218        2.7327241228        0.1362711305
 C          1.6640853425        1.6486334990        0.6443462940
 C          2.4869957342        1.0201308116       -0.4846766275
 C          3.0151174548       -0.3789975214       -0.1216674682
 C          1.8196601656       -1.2916904527       -0.0487830520
 O          1.2257864082       -1.6874608735       -1.0322551403
 O          1.4315045270       -1.5477239013        1.1807252299
 H          0.5172725806       -1.9380388129        1.2031984610
 H          3.6902990940       -0.7280077025       -0.9028166741
 H          3.5265445772       -0.3613606640        0.8394606047
 H          3.3320036695        1.6675325984       -0.7250732885
 H          1.8768745673        0.9262823501       -1.3852511799
 H          2.3452318050        2.0810108206        1.3800862720
 H          1.0868032285        0.8798091431        1.1582436383
 H          0.4064063387        3.3670258031        0.9720435012
 H          1.2439179755        3.3636209284       -0.5773114883
 H         -0.2745133894        1.3346428946       -1.1827047281
 H         -0.9969897726        2.9398894362       -1.1584505625
 H         -1.1407715292        0.9808014391        1.1680988576
 H         -1.9303190606        2.5434094387        1.0689650537
 H         -3.7126246865        1.5988173614       -0.0291177862
 H         -2.6397035372        1.0138121299       -1.2963999134
 H         -3.8489997101       -0.8599277211       -0.3308945871
 H         -3.2958094854       -0.4473823438        1.3082606545
 H         -0.4713569306       -1.6454332689       -1.2924327244
  32
        -46.91182350
 O         -1.2934524683       -1.4303511213       -1.3313335887
 C         -1.7575246383       -1.3023955907       -0.1028562887
 O         -1.2947876979       -1.9018842499        0.8443179816
 C         -2.8626514588       -0.2822844113       -0.0016416092
 C         -2.2516868896        1.1150953389       -0.2028296802
 C         -1.2371798296        1.4439717302        0.8926911895
 C         -0.4267853203        2.7165023404        0.6384631386
 C          0.4239246195        2.7168356701       -0.6387885715
 C          1.2363474102        1.4454401603       -0.8922855808
 C          2.2496437205        1.1171808616        0.2045352193
 C          2.8629835812       -0.2792618182        0.0038232201
 C          1.7589632117       -1.3008020188        0.1022992809
 O          1.2968485820       -1.8982707696       -0.8464534987
 O          1.2949701219       -1.4324536782        1.3304165210
 H          0.4442153022       -1.9348109587        1.3421359315
 H          3.3331298911       -0.3554971586       -0.9763983799
 H          3.5981597914       -0.4711578073        0.7853168202
 H          1.7694281706        1.1416853519        1.1830319193
 H          3.0484972201        1.8610054620        0.2027010687
 H          0.5525955106        0.6066287599       -1.0198379102
 H          1.7698754700        1.5626251000       -1.8389041509
 H          1.1032882491        3.5713439205       -0.5893223921
 H         -0.2268827907        2.8738420492       -1.5016115915
 H         -1.1074641408        3.5699418500        0.5886440381
 H          0.2238757697        2.8749415313        1.5011303784
 H         -0.5522875492        0.6058543906        1.0188171499
 H         -1.7694030296        1.5601679005        1.8401734695
 H         -3.0515392200        1.8578503685       -0.1993257606
 H         -1.7729560997        1.1407570186       -1.1820468703
 H         -3.5991648788       -0.4747685122       -0.7817307290
 H         -3.3307604787       -0.3598455909        0.9794642409
 H         -0.4421554681       -1.9317055808       -1.3444207884
  32
        -46.91178619
 O         -1.7270117285       -1.2073088828       -1.1662593676
 C         -2.0536857785       -0.9607022330        0.0831370736
 O         -1.5594578031       -1.5439301971        1.0276333682
 C         -3.0477498492        0.1655070471        0.2232963305
 C         -2.3991240053        1.4461290927       -0.3250588260
 C         -1.1124891833        1.8123473367        0.4299279299
 C         -0.0578384672        2.4194978243       -0.4953778873
 C          1.2912161867        2.6602533996        0.1886601510
 C          2.0281824399        1.3840358013        0.6063796025
 C          2.5631216004        0.5735822012       -0.5772580459
 C          2.8270629119       -0.8974252305       -0.2061164082
 C          1.4898793573       -1.5706677098       -0.0380252693
 O          0.8167065218       -1.9605116040       -0.9702486625
 O          1.0896758310       -1.6289032402        1.2145235498
 H          0.1313834665       -1.8815672114        1.2844308284
 H          3.3712481635       -1.3858782810       -1.0142814265
 H          3.3930189125       -0.9605063079        0.7221425070
 H          3.4922655991        1.0194813581       -0.9362847689
 H          1.8501907127        0.5898452471       -1.4032135407
 H          2.8665198589        1.6603227510        1.2498618665
 H          1.3621313081        0.7647668407        1.2065596560
 H          1.1264838166        3.2722630390        1.0783334304
 H          1.9308839301        3.2298690765       -0.4898255048
 H          0.0811730749        1.7572834360       -1.3523153745
 H         -0.4286491485        3.3726030935       -0.8799324408
 H         -0.7031168375        0.9129703261        0.8896221397
 H         -1.3363398071        2.5102772768        1.2388103440
 H         -3.1185362673        2.2640265603       -0.2709937086
 H         -2.1664070778        1.2771744759       -1.3780553297
 H         -3.9414151840       -0.0693426495       -0.3556391829
 H         -3.3110136350        0.2768182348        1.2750291942
 H         -0.9081352745       -1.7648770506       -1.2252764072
  32
        -46.91139729
 O         -1.4894360183       -1.3367125825       -1.1718696309
 C         -1.8553669989       -1.1200163723        0.0700757889
 O         -1.1763345390       -1.4282462613        1.0304962392
 C         -3.1847882796       -0.4230648435        0.1982690181
 C         -3.0659297008        1.0508537364       -0.2310532624
 C         -1.8963294818        1.7754887378        0.4519235777
 C         -0.6309579915        1.8114036486       -0.4170983519
 C          0.6494894782        1.8175147102        0.4158340286
 C          1.9149812886        1.7699518410       -0.4530500109
 C          3.0777802990        1.0331193724        0.2283127998
 C          3.1793065805       -0.4425371777       -0.1993088496
 C          1.8433337211       -1.1265661689       -0.0687039798
 O          1.1622424418       -1.4334932499       -1.0280995399
 O          1.4749254909       -1.3346190888        1.1739076902
 H          0.5128030311       -1.5942237596        1.2275420199
 H          3.4938757310       -0.5069987478       -1.2414134795
 H          3.9045983108       -0.9534525168        0.4345910309
 H          2.9587268386        1.0858722427        1.3114122197
 H          4.0248675686        1.5119287232       -0.0258325501
 H          1.6873989994        1.2698898704       -1.3968593108
 H          2.2183934177        2.7894523312       -0.6965024212
 H          0.6266215388        0.9526281904        1.0798867989
 H          0.6729130371        2.7060036104        1.0507063782
 H         -0.6075946704        0.9373034684       -1.0688983415
 H         -0.6551094321        2.6909838183       -1.0642943822
 H         -1.6734238416        1.2719454584        1.3950193080
 H         -2.1892441528        2.7977934976        0.6966033472
 H         -4.0082069614        1.5406056256        0.0198825670
 H         -2.9434170105        1.1004990161       -1.3139303124
 H         -3.9146147589       -0.9268559745       -0.4360604819
 H         -3.5013137299       -0.4827178934        1.2400543680
 H         -0.5288423780       -1.6014698916       -1.2251122205
  32
        -46.91070067
 O         -1.2050726804       -1.5798093509       -1.2483341498
 C         -1.7839966955       -1.2686904737       -0.1055809535
 O         -1.3918813369       -1.6764581270        0.9680977573
 C         -2.9179101812       -0.2917980797       -0.2726403282
 C         -2.3110601775        1.1025963191       -0.5138083208
 C         -1.5686814300        1.6298921976        0.7190796112
 C         -0.5487096197        2.7363605617        0.4061741620
 C          0.8956079636        2.2296395861        0.3281856016
 C          1.1680164019        1.3757231129       -0.9081472242
 C          2.5778235643        0.7799973434       -0.9599454631
 C          2.8777601264       -0.2018195594        0.1857785475
 C          1.7286419298       -1.1660441548        0.3404484835
 O          1.3503500420       -1.9218963731       -0.5295750061
 O          1.1375989027       -1.0652794992        1.5144098587
 H          0.2817679661       -1.5634019239        1.5384847800
 H          3.7841079724       -0.7603109806       -0.0521230452
 H          3.0196822633        0.3233703097        1.1290638115
 H          3.3207729399        1.5792621251       -0.9357858223
 H          2.6830268971        0.2455521898       -1.9059659736
 H          0.4489107626        0.5588863370       -0.9548634084
 H          1.0223449156        1.9899017826       -1.8006143186
 H          1.1047611475        1.6531464129        1.2305002276
 H          1.5723661308        3.0880114285        0.3178353987
 H         -0.8155480922        3.2324399515       -0.5293297455
 H         -0.5922832046        3.4886937981        1.1961241225
 H         -1.0507553821        0.8085965181        1.2161194263
 H         -2.3097452066        2.0068203167        1.4267365923
 H         -3.1142550957        1.7929884529       -0.7783550617
 H         -1.6373268070        1.0411452592       -1.3691620116
 H         -3.5171336038       -0.5827303485       -1.1349834936
 H         -3.5312646894       -0.2894896684        0.6278829565
 H         -0.3392168254       -2.0389352652       -1.1057761405
  32
        -46.91069832
 O         -0.2563474813       -1.8042559802        1.0059455390
 C         -0.9022430111       -1.5489462791       -0.1204076709
 O         -0.3485458308       -1.2452849184       -1.1504586906
 C         -2.4018637011       -1.6848061788        0.0170167287
 C         -3.1384153507       -0.5175468881       -0.6488303805
 C         -3.2575898705        0.7160882112        0.2484345805
 C         -1.9280277804        1.3145643405        0.7095630513
 C         -1.1040869701        1.9150442012       -0.4282412981
 C          0.1833521000        2.5818607505        0.0617377427
 C          1.2470401497        1.6068003798        0.5699344321
 C          1.9048075297        0.8147174605       -0.5680015184
 C          2.7707338193       -0.2823257902       -0.0329157892
 O          2.3952016189       -1.1807233307        0.6882854200
 O          4.0372218094       -0.1911967602       -0.4291343289
 H          4.5666023491       -0.9266281606       -0.0794706494
 H          1.1285343896        0.3311151412       -1.1672832690
 H          2.5015615300        1.4675010909       -1.2037667378
 H          0.8036100493        0.9115442493        1.2831732314
 H          2.0203486497        2.1705839091        1.0976146427
 H          0.6112987703        3.1708998910       -0.7527442467
 H         -0.0662656399        3.2724248199        0.8711060132
 H         -1.7102308198        2.6680313718       -0.9381773176
 H         -0.8617569701        1.1423351917       -1.1563544887
 H         -2.1423012404        2.1013912999        1.4384299419
 H         -1.3527016107        0.5459713199        1.2245276707
 H         -3.8378876408        0.4440573307        1.1342992202
 H         -3.8227323102        1.4799865118       -0.2917001090
 H         -4.1474117707       -0.8404548576       -0.9132618609
 H         -2.6184457104       -0.2655804174       -1.5740097602
 H         -2.6758358213       -2.6155844483       -0.4855948721
 H         -2.6601153113       -1.7723796896        1.0721174486
 H          0.7221286587       -1.6756793704        0.9059150893
  32
        -46.91038859
 O          0.7515281878        1.4564885301        1.3732712619
 C          1.1543730386        1.7900287409        0.1634847724
 O          0.4307245192        2.3212482812       -0.6530307178
 C          2.5700824589        1.3704342713       -0.1349764568
 C          2.5239252296       -0.0514255484       -0.7291258877
 C          2.3244543689       -1.1245559491        0.3452891815
 C          1.7916715896       -2.4576325488       -0.2100511897
 C          0.3474901093       -2.7399769993        0.2145064690
 C         -0.6471644804       -1.7459416691       -0.3825550411
 C         -2.0021839609       -1.7774542297        0.3254377079
 C         -2.9378688107       -0.6711147496       -0.1871388322
 C         -2.2174179110        0.6456407405       -0.0365044808
 O         -1.8751942319        1.1064787099        1.0329618897
 O         -1.9313387103        1.2106825512       -1.1909703303
 H         -1.2628374005        1.9333948412       -1.0864571393
 H         -3.1823234199       -0.8211909990       -1.2379974124
 H         -3.8519014912       -0.6597913201        0.4070747472
 H         -1.8470605918       -1.6267344904        1.3958829481
 H         -2.4790804107       -2.7486479897        0.1838199469
 H         -0.2320628006       -0.7429554991       -0.2887022802
 H         -0.7802879696       -1.9480769785       -1.4476042413
 H          0.2904718085       -2.6926460100        1.3045699690
 H          0.0733341097       -3.7541218492       -0.0845058118
 H          1.8538977204       -2.4567465481       -1.2999562497
 H          2.4163747494       -3.2777566889        0.1479496802
 H          1.6324374183       -0.7526106396        1.1019181712
 H          3.2800288686       -1.2883879492        0.8467331521
 H          3.4577543600       -0.2395565479       -1.2617568071
 H          1.7165811001       -0.0933947681       -1.4637304483
 H          2.9911046093        2.0615817218       -0.8646469061
 H          3.1645168182        1.3777373308        0.7773293136
 H         -0.2297473223        1.5612815598        1.4722985812
  32
        -46.91009180
 O          1.5516708187        1.6455076821        1.1373396879
 C          1.7656740075        1.3126131121       -0.1217888423
 O          1.1067403857        1.7470322512       -1.0418125015
 C          2.8549723185        0.2822672035       -0.2787610135
 C          2.1827857700       -1.0903673374       -0.4677607324
 C          1.3320750120       -1.4683758183        0.7447254087
 C          0.5178374734       -2.7529631993        0.5788387500
 C         -0.4876321880       -2.7568663808       -0.5803223388
 C         -1.3144724199       -1.4800842518       -0.7435616379
 C         -2.1683304888       -1.1123488727        0.4698721831
 C         -2.8574562107        0.2520933764        0.2820390738
 C         -1.7809906822        1.2951517177        0.1212858723
 O         -1.1269486916        1.7405479187        1.0395116113
 O         -1.5714524242        1.6265161678       -1.1390643381
 H         -0.7019019749        2.0775672889       -1.2515069293
 H         -3.4820601118        0.2421444655       -0.6103243254
 H         -3.4594308099        0.4815959958        1.1611838745
 H         -1.5510262677       -1.0634212418        1.3676865523
 H         -2.9325931876       -1.8754724136        0.6287280542
 H         -0.6417698312       -0.6561211910       -0.9781664789
 H         -1.9722502208       -1.6067507028       -1.6071729870
 H         -1.1606714668       -3.6061862716       -0.4395091778
 H          0.0491745310       -2.9238013402       -1.5168000494
 H          1.1992449143       -3.5953493785        0.4364640292
 H         -0.0173862851       -2.9269588098        1.5149151707
 H          0.6514179613       -0.6512104191        0.9804911994
 H          1.9907318233       -1.5902454173        1.6084309779
 H          2.9563945108       -1.8441698965       -0.6257990133
 H          1.5659903188       -1.0487020783       -1.3662595617
 H          3.4567229071        0.5184586041       -1.1563022943
 H          3.4770965897        0.2804915044        0.6153937557
 H          0.6772619283        2.0876298010        1.2480276290
  32
        -46.91003546
 O          1.7287569290        1.6599861043        0.9762818603
 C          1.9418538297        1.1061607783       -0.1998055645
 O          1.2871329714        1.3663292666       -1.1879091434
 C          3.0229265849        0.0593436180       -0.1471124921
 C          2.3952356365       -1.2020724966        0.4738968734
 C          1.4360134881       -1.9075967052       -0.4901513358
 C          0.3637430493       -2.7248559024        0.2396705764
 C         -0.8480622161       -1.8866339080        0.6627579034
 C         -1.7548301468       -1.5743724165       -0.5268695811
 C         -3.0092067652       -0.7626227185       -0.1889171330
 C         -2.7625523488        0.5261034476        0.6051196142
 C         -1.5898807741        1.3436553041        0.1261998595
 O         -0.8912378943        1.9832236732        0.8871227517
 O         -1.3833305345        1.3062479620       -1.1723567922
 H         -0.4859665669        1.6556010557       -1.3971737245
 H         -3.6522635225        1.1582334271        0.5445545042
 H         -2.5888342661        0.3110832163        1.6608327175
 H         -3.6955194886       -1.3801967947        0.3946281036
 H         -3.5032839902       -0.5115852214       -1.1290309400
 H         -1.1849486169       -1.0393006847       -1.2862313080
 H         -2.0811766644       -2.5165998965       -0.9745813323
 H         -0.5013938560       -0.9596664808        1.1231080000
 H         -1.4207227495       -2.4360079060        1.4137980901
 H          0.0167011550       -3.5300597714       -0.4114077035
 H          0.8131820188       -3.1887435574        1.1205950728
 H          2.0123311393       -2.5646537278       -1.1442302367
 H          0.9521018491       -1.1669649844       -1.1272591908
 H          1.8645252259       -0.9081300398        1.3817285597
 H          3.1918997764       -1.8879292838        0.7670434499
 H          3.3945077575       -0.1505714813       -1.1492353074
 H          3.8323359432        0.4179859792        0.4879103716
 H          0.8589968811        2.1315186211        1.0007875052
  32
        -46.91003146
 O         -1.2845607207       -0.9358316516        1.4369164110
 C         -1.8259460706       -1.0856288006        0.2446719208
 O         -1.4254820903       -1.8916034999       -0.5701998399
 C         -2.9902366207       -0.1608718706        0.0087898214
 C         -2.6163997709        1.3094799793        0.2413639227
 C         -1.7327243409        1.9117927503       -0.8538098867
 C         -0.2629173108        1.4794096705       -0.8498010469
 C          0.4855937690        1.8972360196        0.4197673435
 C          2.0047758090        2.0543148999        0.2473970139
 C          2.8647676391        0.8351093798        0.5941389429
 C          2.8147194494       -0.3081467994       -0.4238910581
 C          1.6469749395       -1.2285811698       -0.1832971790
 O          1.2329223194       -1.5157085208        0.9201705107
 O          1.1221907497       -1.7001926689       -1.2970507794
 H          0.2603296798       -2.1545735892       -1.1248935599
 H          2.7660929395        0.0625630115       -1.4474997377
 H          3.7172003595       -0.9173898793       -0.3257483385
 H          2.5682508791        0.4427680289        1.5688660326
 H          3.8996647791        1.1744628898        0.6730471533
 H          2.2254229491        2.3703088708       -0.7749770159
 H          2.3326076488        2.8603863994        0.9084647446
 H          0.2874353690        1.1894675288        1.2253129429
 H          0.0857776688        2.8657200392        0.7315122943
 H         -0.1984861606        0.4047422307       -1.0039686078
 H          0.2136968192        1.9539943413       -1.7118657164
 H         -1.7655130710        2.9998061502       -0.7504456358
 H         -2.1641029207        1.6638907711       -1.8269959869
 H         -2.1286335910        1.4035307985        1.2113939728
 H         -3.5451417210        1.8833243391        0.2778828831
 H         -3.3583963605       -0.3140480398       -1.0061916788
 H         -3.7750086807       -0.4389574113        0.7155538211
 H         -0.4180233307       -1.4100704015        1.4948186306
  32
        -46.90979846
 O         -1.4525744889       -1.4190901594       -1.2016813473
 C         -1.8279850515       -1.2827872948        0.0522286983
 O         -1.2464761018       -1.8081702192        0.9800556709
 C         -3.0113165281       -0.3604104927        0.2162023564
 C         -2.6107104625        1.0405832767       -0.2716586671
 C         -1.4378201325        1.6029858790        0.5354719483
 C         -0.7000306150        2.7473859796       -0.1715916186
 C          0.7940838759        2.7391430869        0.1689464977
 C          1.5214876474        1.5858000904       -0.5369252760
 C          2.6360158457        0.9584181457        0.3046725928
 C          2.9962211470       -0.4504419784       -0.1927913852
 C          1.7783473241       -1.3318538618       -0.0607164069
 O          1.1803708797       -1.8064100452       -1.0052356960
 O          1.3940054327       -1.4911877172        1.1877602007
 H          0.4875569885       -1.8907505473        1.2450451833
 H          3.3063426772       -0.4290129608       -1.2373501904
 H          3.7990523045       -0.8604694144        0.4206108609
 H          2.3070079630        0.8749349566        1.3424453522
 H          3.5265279325        1.5884298420        0.2842373739
 H          0.7937405738        0.8098042512       -0.7776932591
 H          1.9315366765        1.9327498295       -1.4869800121
 H          0.9027709341        2.6402505932        1.2510290344
 H          1.2421619311        3.6919917060       -0.1169379648
 H         -0.8104400444        2.6474724090       -1.2534528324
 H         -1.1389025837        3.7048020621        0.1136728623
 H         -0.7289523280        0.7949860904        0.7208834263
 H         -1.7909734825        1.9381816519        1.5123197499
 H         -3.4713857533        1.7077911221       -0.2056448791
 H         -2.3247600752        0.9626026984       -1.3224661229
 H         -3.8401583171       -0.7346097567       -0.3854958139
 H         -3.3006511434       -0.3418231085        1.2668238518
 H         -0.5594138111       -1.8449469389       -1.2727747839
  32
        -46.90922482
 O          1.2124451589        0.9351968987        1.4657351623
 C          1.8780752394        1.0147496500        0.3305199027
 O          1.5550121893        1.7468571404       -0.5806503369
 C          3.0484588901        0.0686463809        0.2811459227
 C          2.6855635015       -1.1757861988       -0.5484584785
 C          1.4578610517       -1.9318553301       -0.0146314697
 C          0.2065998920       -1.6933792203       -0.8636836301
 C         -1.0538884079       -2.3067978317       -0.2455337413
 C         -1.6181223591       -1.5004804330        0.9346265690
 C         -2.8816441795       -0.6947292937        0.6129608490
 C         -2.7284862896        0.3161484273       -0.5276952002
 C         -1.5904693305        1.2734014079       -0.2863140289
 O         -1.2469890213        1.6674821674        0.8082497616
 O         -0.9754204901        1.6216558892       -1.4010116683
 H         -0.1106129306        2.0650571797       -1.2163049575
 H         -2.5534891088       -0.1776127119       -1.4835150005
 H         -3.6482606800        0.8997648267       -0.6153993602
 H         -3.1743128204       -0.1553555046        1.5157510092
 H         -3.6906445589       -1.3801608841        0.3515440680
 H         -1.8732631190       -2.1804223338        1.7499635284
 H         -0.8545697798       -0.8229423127        1.3161114099
 H         -0.8094121873       -3.3181102618        0.0864305881
 H         -1.8211774574       -2.4030086717       -1.0160539217
 H          0.0623401313       -0.6239416503       -1.0111898394
 H          0.3699374728       -2.1358059095       -1.8498253304
 H          1.2656732610       -1.6317950710        1.0166180905
 H          1.6650088325       -3.0040286299       -0.0041562204
 H          3.5573724319       -1.8319049781       -0.5461336985
 H          2.5055464518       -0.8684521281       -1.5802590883
 H          3.8944841500        0.5744696019       -0.1852423565
 H          3.3060107498       -0.2239066397        1.2988149126
 H          0.3603485385        1.4412232381        1.4300800723
  32
        -46.90858671
 O          4.0099764579        0.3099259045       -0.1062262491
 C          2.6894153955        0.4600996875       -0.0159613563
 O          2.0904187989        1.2174391082       -0.7456542642
 C          2.0821872064       -0.4110381530        1.0419924826
 C          1.8136112145       -1.8218178494        0.4856277821
 C          0.6713700577       -1.8560346279       -0.5312428151
 C         -0.7063424459       -1.7759464418        0.1288277406
 C         -1.7929397046       -1.4342463631       -0.8891094112
 C         -3.1619368778       -1.1562663724       -0.2665700743
 C         -3.2237277606        0.0550123387        0.6687684262
 C         -2.7188182300        1.3575265695        0.0330854294
 C         -1.2166819482        1.4779097667        0.1618901038
 O         -0.6237940871        1.3537655199        1.2070555862
 O         -0.6127175469        1.7238384418       -0.9893047359
 H          0.3705676776        1.6968520279       -0.8910585607
 H         -3.0008785693        1.4244884995       -1.0170069162
 H         -3.1511989204        2.2052517266        0.5691493817
 H         -2.6425829148       -0.1315608460        1.5731487885
 H         -4.2643450461        0.1893256431        0.9712272225
 H         -3.8775852884       -1.0026809407       -1.0786550210
 H         -3.4866665768       -2.0360856094        0.2946251752
 H         -1.8958911288       -2.2660785101       -1.5913410237
 H         -1.4806298879       -0.5642917506       -1.4678459441
 H         -0.9385166287       -2.7284814787        0.6110554170
 H         -0.6856177152       -1.0139063620        0.9048205159
 H          0.7375898025       -2.7771028679       -1.1149975919
 H          0.7865737040       -1.0220539908       -1.2266538267
 H          1.5706413301       -2.4791629905        1.3221651735
 H          2.7315705128       -2.1939646523        0.0246748987
 H          2.7892646868       -0.4838636619        1.8682764255
 H          1.1560384423        0.0497254615        1.3863835054
 H          4.3761599978        0.8675217903       -0.8115423334
  32
        -46.90852623
 O         -0.6542093584       -1.6427946313       -1.2985033893
 C         -1.0426357788       -1.6370411415       -0.0377017494
 O         -0.2864256689       -1.8378562407        0.8881458609
 C         -2.5126918591       -1.3537928228        0.1372210101
 C         -2.7610635406        0.0299793871        0.7662522998
 C         -2.8084182613        1.1759464769       -0.2479917903
 C         -1.4464786016        1.6540429881       -0.7579167499
 C         -0.6451024626        2.4532492889        0.2854502502
 C          0.6628198378        1.7764842602        0.6986379207
 C          1.7128146182        1.8007458210       -0.4142751189
 C          2.9009979989        0.8687444721       -0.1167386484
 C          2.3438850802       -0.5276151484       -0.0471601185
 O          1.9501514011       -1.1408385988       -1.0170993885
 O          2.2414982702       -0.9848159583        1.1855831416
 H          1.5996258009       -1.7278024089        1.2331411115
 H          3.6303822591        0.9377216527       -0.9235412982
 H          3.3647339784        1.1243317127        0.8347616117
 H          2.0829648973        2.8193439113       -0.5441706789
 H          1.2613476688        1.4864899705       -1.3571509890
 H          1.0690468171        2.2802650607        1.5788765908
 H          0.4452329287        0.7479036900        0.9880071608
 H         -1.2570426531        2.5936377485        1.1785754000
 H         -0.4155708234        3.4468164891       -0.1049005898
 H         -0.8724448507        0.7916632186       -1.0926254696
 H         -1.6209818219        2.2787228878       -1.6359854101
 H         -3.3224568722        2.0236406165        0.2122664094
 H         -3.4118440407        0.8577991862       -1.1015515705
 H         -1.9976179710        0.2217685478        1.5217363201
 H         -3.7258794507       -0.0079307338        1.2761688395
 H         -3.0088848387       -1.4286121534       -0.8297954801
 H         -2.9076064486       -2.1184502131        0.8085014001
 H          0.3319071517       -1.7028901704       -1.3700402490
  32
        -46.90827402
 O          1.4301604924        1.5278259588        1.0361098294
 C          1.5427195318        1.3218429483       -0.2592162506
 O          0.7889084622        1.8159996690       -1.0736032305
 C          2.6788886907        0.4113585169       -0.6496743707
 C          2.9875015697       -0.6662856532        0.3931175595
 C          1.7882976189       -1.5234735217        0.8115097901
 C          1.1204251777       -2.2941067112       -0.3375751595
 C         -0.2180455818       -1.6983322298       -0.7843508393
 C         -1.3481576918       -1.9781244182        0.2092490111
 C         -2.6881103012       -1.3555668768       -0.2134266887
 C         -3.0061831995       -0.0336708963        0.5022076210
 C         -1.9333370184        0.9932822924        0.2518244204
 O         -1.2266812576        1.4514919919        1.1242849401
 O         -1.8291868384        1.3352439520       -1.0170982697
 H         -0.9967779378        1.8418246610       -1.1785999700
 H         -3.9516251592        0.3571723847        0.1225323912
 H         -3.0878369494       -0.1922382159        1.5780864111
 H         -3.5010905420       -2.0485187858        0.0103471717
 H         -2.6860147013       -1.1815094571       -1.2904938788
 H         -1.4647992931       -3.0612827281        0.2910895214
 H         -1.0731033611       -1.6079435483        1.1984108809
 H         -0.4929030626       -2.1342346397       -1.7483634591
 H         -0.1079519406       -0.6255033000       -0.9339748596
 H          1.7989599274       -2.3268763522       -1.1922338097
 H          0.9455422965       -3.3278344509       -0.0311213492
 H          1.0533747897       -0.8868271607        1.3036404301
 H          2.1480828083       -2.2306986919        1.5616256902
 H          3.3843096105       -0.1831012834        1.2874934893
 H          3.7677376389       -1.3139767842       -0.0132849105
 H          2.4237251999       -0.0273973531       -1.6156157605
 H          3.5659671513        1.0331763958       -0.7966937611
 H          0.5465879129        1.9088892899        1.2505172895
  32
        -46.90733060
 O         -3.8872147709       -0.0348073205       -0.3814255706
 C         -2.7518957816       -0.3072544639        0.2511447144
 O         -2.3692801629       -1.4421917129        0.4242530146
 C         -2.0145577757        0.9225649534        0.6896744394
 C         -1.2493610024        1.5118200849       -0.5085247109
 C         -0.2352202728        2.5659106150       -0.0599236462
 C          1.0432966559        1.9633505623        0.5283368630
 C          1.9968178541        1.4600141983       -0.5542123970
 C          3.2457007859        0.7817745473        0.0099824940
 C          3.0031133465       -0.5583772783        0.7073296023
 C          2.4246535530       -1.6388522992       -0.2179704232
 C          0.9183147912       -1.5729729864       -0.3319259748
 O          0.3173958051       -1.3639352457       -1.3579978293
 O          0.3156212232       -1.7821945085        0.8294847817
 H         -0.6691216385       -1.7525338263        0.7252249388
 H          2.8561120079       -1.5598583016       -1.2161649332
 H          2.6617798377       -2.6213939997        0.1948231589
 H          2.3411514108       -0.4323182516        1.5644878332
 H          3.9639414881       -0.9118522795        1.0882980759
 H          3.9494689692        0.6187554068       -0.8101557009
 H          3.7250405816        1.4577161694        0.7234390869
 H          2.3144195303        2.3133383551       -1.1594038369
 H          1.4796803428        0.7692267436       -1.2177495871
 H          1.5573993041        2.7233038524        1.1221389831
 H          0.7844880775        1.1449262598        1.2005046722
 H         -0.7075502389        3.2170862403        0.6794562880
 H          0.0335850711        3.1844810275       -0.9184962077
 H         -1.9710804295        1.9599340079       -1.1931493651
 H         -0.7380410632        0.7111300604       -1.0438587028
 H         -2.7267954211        1.6570775739        1.0662490421
 H         -1.3179104024        0.6475962560        1.4816363489
 H         -4.3093255698       -0.8484688843       -0.7017123851
  32
        -46.90718220
 O         -1.2177017346       -1.9137788997        0.8172002077
 C         -1.5011434209       -1.3190844485       -0.3269516707
 O         -0.7731165784       -1.3618012421       -1.2947693301
 C         -2.8222546747       -0.5933371044       -0.2648269563
 C         -2.7887649374        0.5234822992        0.7953325361
 C         -2.3987029858        1.8949637486        0.2404523152
 C         -1.0643398472        1.9554864012       -0.5023042408
 C          0.1736761426        1.7215771312        0.3642311848
 C          1.4258040243        1.8856472983       -0.4972000904
 C          2.7513515845        1.4862789677        0.1584207484
 C          2.7783801584        0.1059945674        0.8321230954
 C          1.9670594711       -0.9690149583        0.1552771436
 O          1.4120303683       -1.8473147385        0.7855769064
 O          1.9018912012       -0.8892169143       -1.1573511254
 H          1.1575557962       -1.4320731887       -1.5006017733
 H          3.8119531306       -0.2454673234        0.8852183833
 H          2.4081530831        0.1662141683        1.8575036745
 H          3.0190386679        2.2228147767        0.9189895147
 H          3.5179811096        1.5195913726       -0.6176685894
 H          1.2939187901        1.2966470480       -1.4054763429
 H          1.5083909731        2.9318170839       -0.8025046604
 H          0.1391126869        0.7157174121        0.7842015298
 H          0.1904830397        2.4292641452        1.1964735307
 H         -1.0661448705        1.2228035044       -1.3107961892
 H         -0.9801767840        2.9441831709       -0.9614321423
 H         -2.3788069652        2.6045844860        1.0714810558
 H         -3.1817933225        2.2211912501       -0.4492274652
 H         -2.1087871251        0.2320728102        1.5965814849
 H         -3.7838544958        0.6169002733        1.2347977623
 H         -3.0699285390       -0.1940497495       -1.2478528754
 H         -3.5737622653       -1.3316689610        0.0194505538
 H         -0.2820174433       -2.2318403414        0.8380507399
  32
        -46.90706013
 O         -0.5931715828       -1.8425255054        0.8443190617
 C         -1.1492589621       -1.4964510988       -0.3065499007
 O         -0.5148836302       -1.1333246210       -1.2683854216
 C         -2.6567521354       -1.6037534670       -0.2838021829
 C         -3.3147773119       -0.4175885711        0.4393589082
 C         -2.8881154420        0.9342350499       -0.1428877728
 C         -1.6087293074        1.4737371841        0.5090868063
 C         -0.7375594829        2.2490347560       -0.4761630280
 C          0.5894325994        2.7165763406        0.1252178605
 C          1.5080249750        1.5912411126        0.6053577395
 C          1.9687204791        0.6688371053       -0.5320861586
 C          2.6483905773       -0.5445062412        0.0200999414
 O          2.1180975038       -1.3798374468        0.7198580394
 O          3.9293049126       -0.6359184500       -0.3254830000
 H          4.3338156518       -1.4394277494        0.0405624463
 H          1.0983193195        0.3103142945       -1.0876847046
 H          2.6461525089        1.1909906758       -1.2060847523
 H          0.9998127959        0.9954435704        1.3645699098
 H          2.3877991742        2.0371967328        1.0761804352
 H          1.1214020714        3.3096907654       -0.6222353759
 H          0.3811247997        3.3684380948        0.9771551607
 H         -1.2858645258        3.1266279282       -0.8272170586
 H         -0.5453996167        1.6170440837       -1.3445705259
 H         -1.8650005515        2.1132955355        1.3569300250
 H         -1.0365149781        0.6360076315        0.9018056793
 H         -3.6947111785        1.6586444622       -0.0163137028
 H         -2.7246004805        0.8140080591       -1.2154869335
 H         -3.0663760177       -0.4566240029        1.5013446762
 H         -4.3961663475       -0.5364483933        0.3455877584
 H         -3.0054682400       -1.6383417188       -1.3167777385
 H         -2.9285129582       -2.5293458060        0.2248865264
 H          0.3915223878       -1.7339082692        0.8235589149
  32
        -46.90695266
 O         -0.4742931096       -1.5658854929        0.8748171247
 C         -0.8769032831       -1.4799239587       -0.3807138633
 O         -0.1160076039       -1.3529916377       -1.3124400928
 C         -2.3741736603       -1.5893231240       -0.5478349915
 C         -3.1956046614       -0.7790491270        0.4577549778
 C         -3.2116052099        0.7307230313        0.2014610846
 C         -1.9191451524        1.4646888210        0.5924559990
 C         -1.0559415343        1.8611396686       -0.6060190346
 C          0.2285260018        2.5839087797       -0.1918304346
 C          1.2706687524        1.6803919142        0.4696637252
 C          2.0013320240        0.7884797843       -0.5421954532
 C          2.7274029217       -0.3290280516        0.1397423078
 O          2.2257747610       -1.1156459505        0.9133887921
 O          4.0142766142       -0.3958989047       -0.1860197170
 H          4.4466392155       -1.1479161109        0.2508450400
 H          1.2726723030        0.3134191367       -1.2054892856
 H          2.7052333510        1.3642193234       -1.1415972142
 H          0.7906945877        1.0522035112        1.2206276493
 H          2.0075932086        2.3014800874        0.9843834313
 H          0.6774545663        3.0499274338       -1.0717475063
 H         -0.0329078956        3.3829180716        0.5061892870
 H         -1.6368646495        2.5325995934       -1.2435539122
 H         -0.8126697476        0.9819435767       -1.2005272517
 H         -2.1746192105        2.3766075822        1.1380097143
 H         -1.3477979094        0.8344239841        1.2733625886
 H         -4.0389883395        1.1458300346        0.7812195261
 H         -3.4340985010        0.9140496731       -0.8519033288
 H         -2.8233809349       -0.9767376931        1.4639322853
 H         -4.2255142166       -1.1407812405        0.4069677528
 H         -2.6216429942       -1.3041151573       -1.5715891944
 H         -2.6144493388       -2.6490693680       -0.4239828486
 H          0.5112870095       -1.4765341567        0.9417309368
  32
        -46.90676899
 O         -0.6974397970       -1.7587377194        0.8641872086
 C         -1.2666561099       -1.4578990867       -0.2974522362
 O         -0.6568335678       -1.4057541073       -1.3360752228
 C         -2.7522310391       -1.2101758693       -0.1500128360
 C         -3.0631008041       -0.0333442551        0.7862525023
 C         -3.0213082844        1.3331498980        0.0968344116
 C         -1.7253820657        1.6440503111       -0.6517450095
 C         -0.4943411376        1.7334082086        0.2489493289
 C          0.7793919399        1.7906718660       -0.5921131891
 C          2.0619889292        1.9072803335        0.2319767062
 C          2.3630176670        0.6548557605        1.0623492783
 C          2.5343402270       -0.5736413804        0.2102994493
 O          1.9857208408       -1.6321738067        0.4128400531
 O          3.3916953443       -0.4062573930       -0.7893678134
 H          3.4509131474       -1.2127499664       -1.3265768591
 H          3.3010696206        0.8037668045        1.6032197035
 H          1.5748426806        0.4629233381        1.7901638194
 H          1.9843144124        2.7606795506        0.9087575900
 H          2.9010516190        2.0850458532       -0.4425541429
 H          0.8262244460        0.8946083665       -1.2151460159
 H          0.7202638498        2.6520550746       -1.2617154304
 H         -0.4590252272        0.8610863654        0.8999354771
 H         -0.5626395476        2.6209568874        0.8833525682
 H         -1.5546490195        0.8781661021       -1.4082040882
 H         -1.8487064850        2.5948354677       -1.1769135794
 H         -3.1955208475        2.1032951232        0.8529061224
 H         -3.8457134060        1.3837525527       -0.6190831348
 H         -2.3694313849       -0.0597904802        1.6272111550
 H         -4.0680493875       -0.1693102613        1.1922582780
 H         -3.1850588394       -1.0442296998       -1.1366082662
 H         -3.1781759794       -2.1211028541        0.2753122461
 H          0.2751560885       -1.8818190396        0.7559702525
  32
        -46.90676335
 O         -0.9876651826       -1.2550288987        1.5861060099
 C         -1.6900436422       -1.1327491988        0.4706439496
 O         -1.4988394024       -1.8238905294       -0.5040961200
 C         -2.7060598414       -0.0194905780        0.5537793988
 C         -2.6510226204        0.8693190714       -0.6961076016
 C         -1.2500187099        1.4051710602       -1.0007932214
 C         -0.7291673694        2.4654375403       -0.0243093918
 C          0.8041643405        2.4625275292        0.0230340787
 C          1.3244358795        1.3964176593        0.9948675494
 C          2.6952754791        0.8105573781        0.6475208901
 C          2.6763304489       -0.0951902624       -0.5904519395
 C          1.6428360181       -1.1870190316       -0.4547001293
 O          1.4393832573       -1.8270938010        0.5518897709
 O          0.9411286583       -1.3538431316       -1.5649701594
 H          0.1619366278       -1.9363016510       -1.4181420494
 H          2.4575307996        0.4654935173       -1.4989075998
 H          3.6554500886       -0.5652214232       -0.7063165990
 H          3.0349444585        0.2157526683        1.4972741705
 H          3.4147940698        1.6148844876        0.4843958699
 H          1.3803958295        1.8317844097        1.9948470792
 H          0.6077842089        0.5780957298        1.0519709395
 H          1.1693402411        3.4428786291        0.3347508283
 H          1.1835874707        2.2816059585       -0.9836810911
 H         -1.0917815886        3.4477883404       -0.3329856424
 H         -1.1095818099        2.2806734211        0.9812450482
 H         -1.2554655293        1.8301227897       -2.0069444516
 H         -0.5590496905        0.5633024397       -1.0218817608
 H         -3.3491453598        1.6987127419       -0.5698616822
 H         -2.9790292506        0.2736434412       -1.5498741914
 H         -3.6994793418       -0.4662257472        0.6316971087
 H         -2.5122593913        0.5491715223        1.4627607586
 H         -0.2184991730       -1.8570819494        1.4673018604
  32
        -46.90663111
 O         -3.9726397099       -0.2665540587        0.2022374399
 C         -2.6607275199       -0.4566354390        0.0705009895
 O         -2.0747293201       -1.2746342899        0.7430570685
 C         -2.0500081398        0.4548293520       -0.9500888495
 C         -1.7512050793        1.8277223112       -0.3174297880
 C         -0.4472757291        1.8573742699        0.4834715219
 C          0.7740890508        2.0302169105       -0.4203679881
 C          2.0910729809        2.1207690792        0.3556769518
 C          2.6041948706        0.7680978385        0.8547974402
 C          3.1456796001       -0.1142385504       -0.2810312009
 C          2.6899204497       -1.5742102204       -0.1561452625
 C          1.1852593097       -1.6133234598       -0.2919978123
 O          0.5928046896       -1.3644148084       -1.3143557720
 O          0.5826606697       -1.8908716009        0.8520325774
 H         -0.4004326703       -1.7989486705        0.7824934877
 H          3.1332457194       -2.1647631696       -0.9588375233
 H          2.9758521997       -1.9892677916        0.8095415070
 H          4.2362747501       -0.0834188207       -0.2932136410
 H          2.7966705801        0.2623097008       -1.2438562504
 H          3.3931081407        0.9394002474        1.5898497503
 H          1.7958367905        0.2517870381        1.3725599197
 H          1.9509002513        2.7875285083        1.2099854926
 H          2.8543461110        2.5676032497       -0.2858742178
 H          0.8210487504        1.2044395513       -1.1304683591
 H          0.6457655710        2.9509331012       -0.9954454470
 H         -0.3588915093        0.9418973292        1.0697899308
 H         -0.4835881288        2.6948960991        1.1848290828
 H         -2.5898986891        2.1061500507        0.3249849725
 H         -1.6916707491        2.5686556421       -1.1165066971
 H         -1.1370313600        0.0017838222       -1.3372759702
 H         -2.7715309399        0.5818853832       -1.7569991493
 H         -4.3414036999       -0.8501690994        0.8848662593
  32
        -46.90618631
 O         -4.0096893628       -0.0415790547       -0.0719012749
 C         -2.7655916569       -0.3643975159        0.2689977231
 O         -2.3653135222       -1.5047566155        0.2160736681
 C         -1.9458618759        0.8264361439        0.6682105728
 C         -1.3236791496        1.4287034179       -0.6047788953
 C         -0.3227534635        2.5564063034       -0.3147670536
 C          1.1389445998        2.1044593376       -0.3693654726
 C          1.5849532785        1.2991116276        0.8485036285
 C          3.0298925113        0.8096075675        0.7387824711
 C          3.2520474999       -0.2863941241       -0.3058512028
 C          2.5272229831       -1.5943332097        0.0243138794
 C          1.0561205150       -1.5429827145       -0.3267247603
 O          0.6162639756       -1.0955568961       -1.3568278422
 O          0.2956540621       -2.0642449518        0.6282239103
 H         -0.6671822121       -1.9977828388        0.4093783545
 H          2.9593662944       -2.4022067393       -0.5714202288
 H          2.6297724204       -1.8505913662        1.0789597154
 H          4.3237886008       -0.4871215909       -0.3657543552
 H          2.9215441136        0.0529756856       -1.2880163974
 H          3.6737827502        1.6580746401        0.4938262291
 H          3.3458432055        0.4279367879        1.7133268748
 H          0.9343644095        0.4377654565        0.9852268586
 H          1.4936413022        1.9261230257        1.7398697306
 H          1.2775508715        1.5086142101       -1.2716562329
 H          1.7779801126        2.9877197414       -0.4516550763
 H         -0.5354758795        3.0063442212        0.6573052737
 H         -0.4570010313        3.3343370471       -1.0689200479
 H         -2.1382577036        1.8089319290       -1.2239465291
 H         -0.8199116825        0.6394805905       -1.1654277049
 H         -2.5894184312        1.5634716537        1.1486314303
 H         -1.1669239867        0.5090650957        1.3597039107
 H         -4.4999324892       -0.8219451532       -0.3778614639
  32
        -46.90579613
 O         -2.2183696076       -0.4370442148        1.3203610783
 C         -2.4143591640       -0.1050782594        0.0567986833
 O         -2.3315496177       -0.8979995656       -0.8554709219
 C         -2.6778832548        1.3687663086       -0.1243455220
 C         -1.4094108028        2.1386556074        0.2790602150
 C         -0.1842570913        1.6159686090       -0.4695475708
 C          1.1198587254        2.2924464617       -0.0524900950
 C          2.3452352490        1.5850056057       -0.6551637698
 C          3.1383973263        0.7412976602        0.3473254087
 C          2.3950704340       -0.4532101182        0.9483636067
 C          2.0854993761       -1.5652902953       -0.0747072604
 C          0.6033332470       -1.8378052597       -0.1498133382
 O         -0.1008573397       -2.0137765107        0.8197703713
 O          0.1384621992       -1.8398116261       -1.3876530569
 H         -0.8469886591       -1.8499556866       -1.3972700529
 H          2.4384606281       -1.3008889314       -1.0705456741
 H          2.5725409559       -2.4949645802        0.2240169540
 H          1.4656907708       -0.1158524218        1.4088607316
 H          3.0104602993       -0.8637839799        1.7501845780
 H          4.0431175902        0.3769048294       -0.1459478793
 H          3.4545698559        1.3892761816        1.1685534318
 H          3.0305196566        2.3313357748       -1.0622681916
 H          2.0225356102        0.9592988561       -1.4888408859
 H          1.0959752654        3.3353719208       -0.3742711739
 H          1.1957635960        2.2930054060        1.0367556480
 H         -0.3326029294        1.7432082796       -1.5443566038
 H         -0.0888897706        0.5481737084       -0.2793660585
 H         -1.2542472306        2.0188193535        1.3530057001
 H         -1.5519562145        3.2006791694        0.0716342776
 H         -2.9271844446        1.5538524126       -1.1691477368
 H         -3.5104658130        1.6701622815        0.5113046175
 H         -1.7908108225       -1.3187686399        1.3856069392
  32
        -46.90573542
 O         -4.1359632533       -0.2298523876       -0.0560896954
 C         -2.8206850855       -0.2425987332        0.1395417805
 O         -2.2980697618       -1.0232257784        0.9049345400
 C         -2.0860858169        0.7695805133       -0.6833491856
 C         -1.1071518507        1.5837043822        0.1723451787
 C          0.0616384553        2.1268011237       -0.6494782244
 C          1.2352676278        2.5670124774        0.2293889349
 C          1.9905409399        1.3891853470        0.8507112249
 C          2.8924631558        0.6519935015       -0.1441938704
 C          3.2057837990       -0.7815514279        0.3109688328
 C          2.3665476071       -1.8349085087       -0.4267724892
 C          0.8822255601       -1.5566040384       -0.3502698539
 O          0.2154542205       -1.2305483647       -1.3035118724
 O          0.3861950679       -1.7110917675        0.8658781582
 H         -0.5832485362       -1.5094451739        0.8954910015
 H          2.6448411364       -1.8576486372       -1.4814378325
 H          2.5521965843       -2.8152641096        0.0151287827
 H          3.0311801683       -0.8717617347        1.3841154633
 H          4.2564339590       -1.0133097397        0.1270203744
 H          2.4117712707        0.6140365418       -1.1223680859
 H          3.8195147580        1.2161072210       -0.2640902673
 H          1.2744508622        0.6853290650        1.2737893083
 H          2.6045057057        1.7541223694        1.6774537094
 H          1.9320687537        3.1572324125       -0.3697903453
 H          0.8572961037        3.2119591941        1.0262499810
 H         -0.2796734618        2.9719798532       -1.2505546183
 H          0.3998386966        1.3504157252       -1.3361611127
 H         -0.7223180743        0.9316885500        0.9572639158
 H         -1.6351322606        2.4054315050        0.6607146002
 H         -1.5049746069        0.1912507935       -1.4098930829
 H         -2.7973790573        1.4004120861       -1.2132878791
 H         -4.5742190046       -0.9184764556        0.4702637038
  32
        -46.90566577
 O         -1.9185359234       -1.3518322775       -0.8848821104
 C         -1.9736290829       -0.8998598474        0.3539451395
 O         -1.3354890639       -1.3880228383        1.2626269297
 C         -2.9125477311        0.2722106941        0.5101383492
 C         -2.6619718292        1.3674840537       -0.5372101208
 C         -1.4133821879        2.2117411517       -0.2688356406
 C         -0.1337059992        1.3788620197       -0.2195223302
 C          1.1357819821        2.2203944277       -0.0421714700
 C          2.2192378308        1.5129318360        0.7814134803
 C          3.1522287594        0.5595307345        0.0257726506
 C          2.5008482480       -0.4875673145       -0.8778510095
 C          1.4272679265       -1.3514527328       -0.2654275297
 O          0.6574311356       -1.9950428016       -0.9484512798
 O          1.3820913062       -1.3566895826        1.0517314903
 H          0.5461411755       -1.7682633113        1.3668910902
 H          2.0546885389       -0.0174290639       -1.7565360896
 H          3.2760391370       -1.1644132558       -1.2498615493
 H          3.7666536985        0.0488844736        0.7697980907
 H          3.8212267205        1.1492245434       -0.6061442193
 H          2.8601851719        2.2732964251        1.2351100603
 H          1.7391444297        0.9717810369        1.5974089302
 H          0.8626878434        3.1338813382        0.4917409698
 H          1.5361960728        2.5208262570       -1.0120903300
 H         -0.2087678605        0.7065718099        0.6330807398
 H         -0.0730723700        0.7767574195       -1.1270776002
 H         -1.5321849473        2.7403178220        0.6803614193
 H         -1.3302836265        2.9627227215       -1.0582745406
 H         -3.5298129081        2.0300717550       -0.5531968511
 H         -2.5810649597        0.8969289734       -1.5182524207
 H         -3.9271535217       -0.1112882443        0.3809488290
 H         -2.8154741207        0.6659651041        1.5225664692
 H         -1.1562531243       -1.9652377788       -1.0001567502
  32
        -46.90564746
 O         -3.9696697196       -0.4743185430        0.3133742783
 C         -2.6434504895       -0.4744750618        0.1962985985
 O         -1.9384838293       -1.0199449623        1.0158836680
 C         -2.1706383399        0.2764968201       -1.0114451004
 C         -1.8808206011        1.7475224099       -0.6589721785
 C         -0.7023690114        1.9292134796        0.2983345620
 C          0.6560083889        1.7217720215       -0.3717726280
 C          1.7832151287        1.6771716310        0.6605568022
 C          3.1145925992        1.1511504128        0.1054426618
 C          3.3825064603       -0.3318327874        0.3879750000
 C          2.6646568813       -1.3154513368       -0.5385298814
 C          1.1721982813       -1.4360575082       -0.3308614919
 O          0.3959029316       -1.6081215676       -1.2431083023
 O          0.7966299410       -1.3666152001        0.9332501981
 H         -0.1895139590       -1.3673769609        1.0080844479
 H          2.8352124913       -1.0593947753       -1.5858526310
 H          3.0736935820       -2.3163279066       -0.3712930426
 H          3.1172097003       -0.5573726989        1.4216296597
 H          4.4550491805       -0.5083065664        0.2742169400
 H          3.1639867393        1.3332357842       -0.9701717679
 H          3.9279983687        1.7165337128        0.5658248727
 H          1.4769847790        1.0455590997        1.4959408014
 H          1.9276683278        2.6856880207        1.0553078535
 H          0.6453937797        0.7955144422       -0.9408208191
 H          0.8409140484        2.5328981825       -1.0805056269
 H         -0.8025696711        1.2281680284        1.1290862911
 H         -0.7394496023        2.9374770190        0.7180249133
 H         -2.7806837515        2.1796463186       -0.2142995981
 H         -1.6779251213        2.2836956412       -1.5877052678
 H         -1.2743882994       -0.2118007987       -1.3949719008
 H         -2.9578402497        0.2409650004       -1.7642335006
 H         -4.2498215194       -0.9528471942        1.1104661676
  32
        -46.90563110
 O          3.7594049612        0.4851211864       -0.7010587531
 C          2.6253038818        0.2897203668       -0.0403743724
 O          2.3028502308        0.9814891932        0.9001548652
 C          1.8135284918       -0.8516244956       -0.5784048546
 C          1.3800978238       -1.8029466647        0.5438861390
 C          0.1684165782       -2.6742920895        0.1980570969
 C         -1.1870400933       -1.9907279430        0.4294482712
 C         -1.7647138762       -1.2951741695       -0.8024288918
 C         -3.1227103739       -0.6453057192       -0.5301608084
 C         -3.0917196949        0.5480979391        0.4272079133
 C         -2.3255606198        1.7583848100       -0.1193207049
 C         -0.8233235884        1.6137092818       -0.0366956688
 O         -0.0779176877        1.7541509933       -0.9779509274
 O         -0.3971287788        1.3333932737        1.1852791732
 H          0.5898487435        1.2487307533        1.2007568778
 H         -2.5955394998        1.9495066919       -1.1587342376
 H         -2.5850246881        2.6365814223        0.4765299020
 H         -2.6605366049        0.2583013051        1.3851769841
 H         -4.1236170743        0.8563738971        0.6105678558
 H         -3.5461880017       -0.3143496989       -1.4818088940
 H         -3.7967351666       -1.3994652108       -0.1152437288
 H         -1.8917273016       -2.0371320870       -1.5954437537
 H         -1.0807192822       -0.5371133901       -1.1778381995
 H         -1.9099390537       -2.7443720068        0.7526373991
 H         -1.0825322465       -1.2725217327        1.2430230422
 H          0.2135392171       -3.5598457955        0.8354497524
 H          0.2426510996       -3.0153833271       -0.8360722280
 H          1.1522396717       -1.2189252159        1.4381063516
 H          2.2272132658       -2.4495803429        0.7850743279
 H          0.9404076363       -0.3973739940       -1.0499118439
 H          2.3861500951       -1.3719371222       -1.3450111549
 H          4.2357342179        1.2578937878       -0.3557083616
  32
        -46.90562792
 O         -3.9162374097       -0.1508950479       -0.5651902290
 C         -2.8268808392        0.2853248714        0.0584258707
 O         -2.5222183689        1.4563443813        0.0712270111
 C         -2.0384289792       -0.8190486491        0.6967316597
 C         -1.2112598699       -1.5433467388       -0.3799430112
 C         -0.1909039199       -2.4941173194        0.2501485377
 C          1.0905093806       -1.7854125800        0.6989232574
 C          2.0478014200       -1.5460409096       -0.4689305030
 C          3.3135232904       -0.7708054702       -0.0765727133
 C          3.2751486307        0.7229700600       -0.4089447924
 C          2.3185755414        1.5446549098        0.4533382085
 C          0.8853489011        1.5143247605       -0.0302324607
 O          0.5333562204        1.2149610112       -1.1432479607
 O          0.0415143017        1.8879662802        0.9245277200
 H         -0.8940235785        1.8791318306        0.5974687505
 H          2.3439175418        1.2273394292        1.4966676484
 H          2.6143457916        2.5975666397        0.4283576889
 H          2.9928799901        0.8518123506       -1.4555333222
 H          4.2832518108        1.1236907897       -0.2809782528
 H          3.5084626010       -0.9004722008        0.9908794366
 H          4.1646401900       -1.1966133001       -0.6127299240
 H          1.5328609297       -1.0053428391       -1.2622619224
 H          2.3348762295       -2.5207062995       -0.8712327537
 H          0.8380121411       -0.8373268102        1.1740774781
 H          1.5975031008       -2.4015619405        1.4459725968
 H          0.0748590695       -3.2638344991       -0.4771584228
 H         -0.6540433995       -2.9958691897        1.1028819577
 H         -0.6931852101       -0.8067882286       -0.9952562311
 H         -1.8939115305       -2.0996848082       -1.0240924311
 H         -1.3785676086       -0.3920840497        1.4518358195
 H         -2.7242118591       -1.5254873792        1.1654099096
 H         -4.3763242997        0.5789503024       -1.0105748183
  32
        -46.90492005
 O         -0.3572099866       -1.8392618331        0.8751552938
 C         -1.2485616034       -1.4472537876       -0.0329193344
 O         -0.9947311027       -1.3366980076       -1.2036692858
 C         -2.6021134152       -1.1970071031        0.5976556694
 C         -3.4616156230       -0.1958548773       -0.1732824348
 C         -3.0983426242        1.2738431826        0.0571564555
 C         -1.7748948162        1.7044129883       -0.5887132353
 C         -0.5830027397        1.6718061293        0.3683752848
 C          0.7292056147        1.8376356510       -0.3959444614
 C          1.9678286113        1.8440336185        0.5013066873
 C          2.2983362295        0.4619383458        1.0764861713
 C          2.6677545051       -0.5257925724        0.0033554999
 O          2.1760255508       -1.6224624379       -0.1294486365
 O          3.6373454313       -0.0914700966       -0.7956758919
 H          3.8403871597       -0.7518911134       -1.4775114336
 H          3.1610767967        0.5502232725        1.7413817672
 H          1.4610578408        0.0605092662        1.6466591823
 H          1.8124735557        2.5384670048        1.3292898269
 H          2.8271389769        2.1919331346       -0.0743709417
 H          0.8126787796        1.0316360358       -1.1285775949
 H          0.6944278925        2.7801291848       -0.9475743068
 H         -0.5754844659        0.7278138015        0.9102064394
 H         -0.6828318210        2.4740869101        1.1045593335
 H         -1.5665625187        1.0496605149       -1.4355615191
 H         -1.8731353321        2.7205842560       -0.9779843819
 H         -3.0703289451        1.4801926575        1.1298562346
 H         -3.9062711918        1.8748484333       -0.3663029143
 H         -4.5024718752       -0.3399358829        0.1257440978
 H         -3.3828712369       -0.4223369071       -1.2381306256
 H         -3.1061136534       -2.1678270559        0.6145724521
 H         -2.4562546307       -0.8858874015        1.6328974691
 H          0.5327576215       -1.9719344700        0.4669043379
  32
        -46.90488342
 O         -3.9087756092       -0.1773572888        0.4396433934
 C         -2.6774268395        0.0647924509       -0.0019178776
 O         -2.4368089397        1.0124112910       -0.7165098075
 C         -1.6792117394       -0.9420943396        0.4818659312
 C         -0.8744341307       -1.5437639696       -0.6765727996
 C          0.0975306093       -2.6286619901       -0.2077667808
 C          1.2885638103       -2.1498547108        0.6340862583
 C          2.5434439597       -1.7890094610       -0.1723307027
 C          2.5699042798       -0.3510631809       -0.6941846823
 C          2.8454768411        0.6701117687        0.4156223078
 C          2.1870519914        2.0242465990        0.1246211488
 C          0.6881402714        1.8396010896        0.1996893901
 O          0.1026293721        1.5208680795        1.2067605205
 O          0.0919197204        2.0023284702       -0.9697451693
 H         -0.8713871896        1.7733293205       -0.9206748786
 H          2.4885197023        2.7489198987        0.8821229988
 H          2.4598136107        2.3903671092       -0.8643022213
 H          3.9214470513        0.8057046482        0.5366132669
 H          2.4495398218        0.3065172685        1.3653872481
 H          3.3427121891       -0.2637230909       -1.4611286529
 H          1.6193183894       -0.1250013003       -1.1747499614
 H          2.6324407087       -2.4780502008       -1.0152170030
 H          3.4232172402       -1.9364247115        0.4589988665
 H          0.9885118111       -1.3002991909        1.2467757188
 H          1.5557904905       -2.9588232311        1.3174235778
 H          0.4755924584       -3.1544417399       -1.0873646113
 H         -0.4746727304       -3.3529445801        0.3774095394
 H         -0.3431926208       -0.7502453296       -1.2000080499
 H         -1.5715098414       -1.9945593591       -1.3881731892
 H         -1.0082720986       -0.4085582601        1.1611442408
 H         -2.2042892992       -1.7200294496        1.0357258315
 H         -4.5294487192        0.5042009815        0.1338396242
  32
        -46.90486969
 O         -4.0452427783       -0.3408248222       -0.9269793807
 C         -2.9266096985       -0.3223937108       -0.1981848404
 O         -2.1654781381       -1.2581974605       -0.1843532390
 C         -2.7905334591        0.9542960903        0.5819795079
 C         -1.3679252893        1.2319405715        1.0630641078
 C         -0.4248486492        1.6276090903       -0.0719466625
 C          0.9541159705        1.9891565315        0.4801908573
 C          2.0309025907        2.1192256905       -0.5991438526
 C          2.5011115614        0.7753655399       -1.1626803207
 C          3.2805200814       -0.0674562685       -0.1398763994
 C          2.7843195320       -1.5184113586       -0.0709602875
 C          1.3502278519       -1.5369898684        0.4095585522
 O          1.0010808315       -1.2603038570        1.5287356917
 O          0.5046614922       -1.8563637601       -0.5626832976
 H         -0.4313009279       -1.7829201700       -0.2719641879
 H          2.8383201124       -1.9897552899       -1.0518810769
 H          3.3961320120       -2.0763163674        0.6393433634
 H          3.1843247111        0.3690018129        0.8551024600
 H          4.3423882415       -0.0753037884       -0.3912207691
 H          1.6355257916        0.2145788191       -1.5157490301
 H          3.1307917815        0.9663615589       -2.0340862208
 H          2.8936724404        2.6423216913       -0.1797126231
 H          1.6419340007        2.7306385592       -1.4172252335
 H          0.8766144601        2.9361354722        1.0198562360
 H          1.2478889907        1.2272447926        1.2026694484
 H         -0.8360583894        2.4804696094       -0.6190838338
 H         -0.3397035787        0.7962613093       -0.7725175114
 H         -0.9723873591        0.3435271723        1.5587581191
 H         -1.4010876198        2.0393835324        1.7970335767
 H         -3.1711114193        1.7715755193       -0.0334852033
 H         -3.4603158993        0.8555416512        1.4414377379
 H         -4.1359363979       -1.1833172429       -1.4008276995
  32
        -46.90486945
 O         -4.1839546762       -0.2278298205       -0.1113494898
 C         -2.8953184418        0.0393961996        0.0813802143
 O         -2.5331229488        0.9152376268        0.8359851284
 C         -1.9819317822       -0.8260588541       -0.7302170340
 C         -0.9158880384       -1.5019951915        0.1430741745
 C          0.3190874889       -1.8822929868       -0.6721975312
 C          1.4897825866       -2.3228069828        0.2088008405
 C          2.1598758799       -1.2028508699        1.0168988986
 C          3.3212918759       -0.4931900039        0.3126849046
 C          2.9546018669        0.5849548039       -0.7091966792
 C          2.2041137543        1.7789512146       -0.0985719812
 C          0.7044651938        1.6098735769       -0.1872275107
 O          0.1173808141        1.3813035655       -1.2174741839
 O          0.1003075925        1.7410204532        0.9834164422
 H         -0.8742812168        1.5731647473        0.9204470404
 H          2.4882562406        1.9330419361        0.9418945277
 H          2.4459912730        2.6806613043       -0.6654240650
 H          2.3560696449        0.1672268102       -1.5189330627
 H          3.8864593577        0.9468112154       -1.1493719143
 H          3.9424697846       -0.0217731244        1.0795197662
 H          3.9409896433       -1.2423200499       -0.1867539791
 H          2.5654764837       -1.6505335938        1.9276749876
 H          1.4217504948       -0.4661278217        1.3291272348
 H          1.1205944485       -3.0824134401        0.9029234862
 H          2.2442445728       -2.8009278094       -0.4200020687
 H          0.6153904812       -1.0312769306       -1.2827777889
 H          0.0596555811       -2.6991020212       -1.3499415061
 H         -1.3363122835       -2.3907643078        0.6188598706
 H         -0.6283678729       -0.8123851769        0.9372152032
 H         -2.5676904010       -1.5517416798       -1.2918297224
 H         -1.4722967830       -0.1536406061       -1.4282845532
 H         -4.7461488572        0.3681308884        0.4103253915
  32
        -46.90484948
 O          1.7271869279        1.1759499411        1.2266821327
 C          2.0338879095        0.8806719724       -0.0246131273
 O          1.6161892598        1.5166625728       -0.9686315072
 C          2.9437341907       -0.3198067766       -0.1393441873
 C          2.3795032011       -1.5464051478        0.5968244711
 C          1.2089744724       -2.2279215183       -0.1218959606
 C          0.1312019619       -1.2215691189       -0.5163113608
 C         -1.2283232172       -1.8100969299       -0.9013022927
 C         -2.2267777182       -1.9132369117        0.2542776562
 C         -2.5284910902       -0.6114577026        1.0118749870
 C         -2.7701429805        0.6274602579        0.1277049277
 C         -1.4846896310        1.3959868892       -0.0660799104
 O         -0.8470748123        1.8616111191        0.8547329707
 O         -1.1068731998        1.5051596206       -1.3254235199
 H         -0.1866451701        1.8526365215       -1.3906217987
 H         -3.1871449992        0.3545086183       -0.8396294829
 H         -3.4661791316        1.2942004168        0.6401372276
 H         -1.7193223211       -0.3791184624        1.7070109980
 H         -3.4198987206       -0.7891616839        1.6162999660
 H         -3.1633287775       -2.3007874622       -0.1548687650
 H         -1.8646779183       -2.6416934320        0.9833923960
 H         -1.0890455659       -2.8057178894       -1.3285060233
 H         -1.6649752470       -1.1852009996       -1.6816714726
 H         -0.0119084996       -0.5429183797        0.3219355896
 H          0.4994561322       -0.6466353779       -1.3652333800
 H          0.7896178524       -2.9826009392        0.5471184284
 H          1.5721629738       -2.7414157472       -1.0150697406
 H          2.0577929598       -1.2276980388        1.5899233311
 H          3.1846533316       -2.2727347971        0.7238235914
 H          3.1102884719       -0.5361688356       -1.1948328873
 H          3.8967763100       -0.0472644561        0.3190745039
 H          0.9719427773        1.8067336704        1.2619261424
  32
        -46.90478033
 O          1.8680073002        1.6482214600       -0.7903494477
 C          1.6863114988        1.1826080398        0.4348604320
 O          0.8503184382        1.6299005099        1.1873320712
 C          2.6087477381        0.0405568394        0.7880857527
 C          2.7325225190       -0.9601846403       -0.3666598274
 C          1.3757742893       -1.4818593298       -0.8476547889
 C          0.7412038981       -2.5351601398        0.0664591502
 C         -0.7860455118       -2.5283198394       -0.0636068114
 C         -1.4119427924       -1.4679728694        0.8488132582
 C         -2.7537904317       -0.9196072389        0.3558507169
 C         -2.6004034202        0.0809634314       -0.7953113427
 C         -1.6615056103        1.2065637310       -0.4326677915
 O         -0.8196674794        1.6479440509       -1.1821322905
 O         -1.8365629114        1.6658916308        0.7958288585
 H         -1.0655576715        2.2000894705        1.0738734494
 H         -2.2136584394       -0.3963266286       -1.6966039224
 H         -3.5739461499        0.5154008817       -1.0335048436
 H         -3.2483551424       -0.4122044989        1.1851025265
 H         -3.3937069816       -1.7419557086        0.0302217461
 H         -1.5540276436       -1.9010826696        1.8411636580
 H         -0.7174434223       -0.6352654696        0.9659971691
 H         -1.1889640323       -3.5091493793        0.1963807780
 H         -1.0477811406       -2.3366243890       -1.1055129716
 H          1.1355463581       -3.5197701899       -0.1924981396
 H          1.0049400671       -2.3441579002        1.1079862005
 H          1.4989733303       -1.9129084396       -1.8434528689
 H          0.6949371997       -0.6363891296       -0.9531527494
 H          3.3599074084       -1.7952615706       -0.0491725569
 H          3.2284971400       -0.4600003203       -1.1994530968
 H          3.5922156080        0.4571425091        1.0169370838
 H          2.2221539470       -0.4316180107        1.6920886122
 H          1.1043546707        2.1945228303       -1.0649301784
  32
        -46.90467444
 O          0.1645726708        1.8338709891       -1.0129259403
 C          0.9239636301        1.6660162386        0.0623037901
 O          0.4753371894        1.4989595388        1.1690691898
 C          2.3945274603        1.6996503678       -0.2969450691
 C          3.2380742394        0.6599352373        0.4548862913
 C          2.5554329185       -0.7012008024        0.6060976808
 C          2.0988640389       -1.3155850820       -0.7156911794
 C          1.2684931981       -2.5904818216       -0.5336572800
 C         -0.0109033423       -2.4057336909        0.2883473093
 C         -1.0334295314       -1.4688665603       -0.3632838012
 C         -1.8720635916       -0.7412160099        0.6978606984
 C         -2.8112402207        0.2380751107        0.0607050280
 O         -2.4776582198        1.2138275605       -0.5733098818
 O         -4.0916842609       -0.0673041186        0.2504383472
 H         -4.6736211503        0.5859758017       -0.1715858430
 H         -2.4433340223       -1.4503247996        1.2958220981
 H         -1.1966136916       -0.1708977403        1.3422743088
 H         -1.6897925413       -2.0354107699       -1.0271270216
 H         -0.5239201106       -0.7205979005       -0.9684613408
 H         -0.4675729829       -3.3852166207        0.4452987090
 H          0.2547301274       -2.0189218611        1.2720113995
 H          1.8843901774       -3.3438541720       -0.0366308097
 H          1.0050072184       -2.9780175214       -1.5208494201
 H          1.5150809196       -0.5859360517       -1.2757170097
 H          2.9758576791       -1.5581310025       -1.3213115290
 H          1.6987842482       -0.5634115119        1.2633439404
 H          3.2463111979       -1.3864954928        1.1030685612
 H          3.4545646090        1.0348011671        1.4567092314
 H          4.1869381896        0.5473011468       -0.0740042782
 H          2.4738154509        1.5656434078       -1.3759242991
 H          2.7649248108        2.6998417476       -0.0594636788
 H         -0.8010300693        1.7589510396       -0.8066215409
  32
        -46.90465927
 O         -3.9490042771       -0.6036764763       -0.1105899252
 C         -2.6619910648       -0.7109776695        0.2069020971
 O         -2.0676278935       -1.7610797512        0.1296151496
 C         -2.0513039770        0.5941334732        0.6252799760
 C         -1.6968548814        1.4038201855       -0.6326765114
 C         -0.9285393895        2.6882245100       -0.3137543895
 C          0.4051168278        2.4779218082        0.4082030503
 C          1.3531141704        1.5505291532       -0.3470683716
 C          2.6436958563        1.2725047747        0.4219659589
 C          3.4070699505        0.0701629705       -0.1412819235
 C          2.8785765281       -1.2753223654        0.3741042059
 C          1.4931093406       -1.6020464786       -0.1416781590
 O          1.2142543798       -1.7668534468       -1.3020486363
 O          0.6066326665       -1.6959304034        0.8450652300
 H         -0.3038645643       -1.8845053064        0.5094625051
 H          3.5448879134       -2.0678843443        0.0272595087
 H          2.8540311669       -1.2811800865        1.4640571132
 H          4.4579404436        0.1450595748        0.1459678132
 H          3.3535945040        0.0787399838       -1.2312810266
 H          3.2828954966        2.1576048769        0.3848315712
 H          2.4083472782        1.0835716374        1.4722068508
 H          1.5949582897        1.9855499445       -1.3192447849
 H          0.8527297511        0.6040366052       -0.5308301512
 H          0.8817398785        3.4521930719        0.5413596046
 H          0.2238880224        2.0720110630        1.4055196694
 H         -1.5589672432        3.3369143173        0.2990910348
 H         -0.7403169530        3.2050603960       -1.2573509024
 H         -2.6216530134        1.6673723093       -1.1501712204
 H         -1.1087660121        0.7806514497       -1.3079241273
 H         -2.7640482705        1.1528194128        1.2317458286
 H         -1.1526746114        0.3830198324        1.2030226161
 H         -4.3028247827       -1.4542454504       -0.4172813977
  32
        -46.90463979
 O          0.1447718497        1.8400648663        1.1490789294
 C          0.5429392566        1.8162713223       -0.1101862044
 O         -0.2138426886        1.9789742496       -1.0434390019
 C          2.0247869443        1.5715433771       -0.2641667203
 C          2.5696850138        0.5236962803        0.7241646595
 C          3.2406741526       -0.6762278884        0.0525885141
 C          2.3107438115       -1.5894509293       -0.7519909162
 C          1.1819232695       -2.2259227042        0.0779396525
 C         -0.1823463070       -1.6600195973       -0.3144200593
 C         -1.2972387505       -2.0091911515        0.6703638568
 C         -2.6505953635       -1.4282823026        0.2207285323
 C         -2.4579463718        0.0502480200        0.0017062842
 O         -2.3176240691        0.8550670943        0.8968114934
 O         -2.3789084832        0.3718613592       -1.2766297679
 H         -1.9797730071        1.2613311474       -1.3980906299
 H         -2.9708783926       -1.8870946004       -0.7137008253
 H         -3.3978214659       -1.5946352997        0.9963357419
 H         -1.0514983911       -1.6025584275        1.6538440990
 H         -1.3892626631       -3.0927816407        0.7636873395
 H         -0.0934515285       -0.5759808105       -0.3765637114
 H         -0.4513525977       -2.0202237080       -1.3100081696
 H          1.3579758731       -2.0451199390        1.1398874487
 H          1.1743488617       -3.3079656365       -0.0646644328
 H          1.8723060449       -1.0263194877       -1.5774659755
 H          2.9277834631       -2.3734488631       -1.1952719036
 H          3.7181568324       -1.2725050899        0.8341524269
 H          4.0308141134       -0.3154545001       -0.6106652516
 H          1.7589131623        0.1748608182        1.3629826630
 H          3.3041185611        0.9953886172        1.3786283503
 H          2.2092203461        1.2810380337       -1.2987874356
 H          2.5167861028        2.5330602950       -0.1023521794
 H         -0.8395124602        1.8288952953        1.2151293883
  32
        -46.90454918
 O          3.9744219645        0.6047516495       -0.3663612054
 C          2.7531676673        0.2237546935        0.0038194094
 O          2.5776278054       -0.7588640653        0.6867332032
 C          1.6851508094        1.1306340863       -0.5316128495
 C          0.5749360178        1.4018985698        0.4864506372
 C         -0.4681377785        2.3811090278       -0.0588713883
 C         -1.8199425477        2.2639936432        0.6638649512
 C         -2.9073571624        1.5961271578       -0.1850871888
 C         -2.5727867919        0.1879086974       -0.6795175512
 C         -2.5978688997       -0.8749030441        0.4185134497
 C         -1.9336321130       -2.1807037249       -0.0496361090
 C         -0.4504857160       -1.9335037435       -0.1962312827
 O          0.0891243448       -1.5774669049       -1.2157775585
 O          0.1908151131       -2.0829411670        0.9541278584
 H          1.1254345770       -1.7684213068        0.8870396375
 H         -2.0885220022       -2.9620498292        0.6937150926
 H         -2.3494848430       -2.4875176511       -1.0090607432
 H         -3.6307924856       -1.0839356121        0.7045106287
 H         -2.0759449736       -0.5181727584        1.3081250050
 H         -3.2984449984       -0.0914466327       -1.4473345450
 H         -1.5924906671        0.1912531273       -1.1547943903
 H         -3.0935714617        2.2285071241       -1.0566605860
 H         -3.8319520483        1.5602276544        0.3964966462
 H         -1.6879081245        1.7141016894        1.5966992160
 H         -2.1801710801        3.2592047454        0.9323176764
 H         -0.6151553635        2.1956175386       -1.1239374616
 H         -0.0808581861        3.3970580317        0.0365751680
 H          1.0070919520        1.8014364292        1.4067390438
 H          0.0945983014        0.4581218689        0.7349824826
 H          2.1496542811        2.0549604665       -0.8752113124
 H          1.2513148507        0.6118130969       -1.3930455968
 H          4.6464395436       -0.0159665723       -0.0402863108
  32
        -46.90446647
 O          0.1372089682        1.5287693596        1.3213150975
 C          0.8456570579        1.5120108595        0.2020105057
 O          0.3456899141        1.5023581237       -0.8968491565
 C          2.3355036482        1.5177134326        0.4595976354
 C          3.1222768812        0.8078222512       -0.6434974917
 C          3.1952759410       -0.7148548011       -0.5022227716
 C          1.8579770247       -1.4496449798       -0.6815173315
 C          1.1824201018       -1.7865620007        0.6491825930
 C         -0.1481040497       -2.5437917000        0.5070233082
 C         -1.3912577473       -1.6670211165        0.6770951881
 C         -1.7330588021       -0.8374175935       -0.5674431097
 C         -2.6814582176        0.2730821189       -0.2298325371
 O         -2.4787806764        1.1266783945        0.6057170259
 O         -3.8008543938        0.2452390813       -0.9446983219
 H         -4.3784558618        0.9926986734       -0.7186995792
 H         -0.8317883689       -0.3588891615       -0.9549076885
 H         -2.1678305211       -1.4601362496       -1.3480644759
 H         -1.2408317296       -0.9972070520        1.5263478133
 H         -2.2478336055       -2.3046456136        0.9099097313
 H         -0.1868947261       -3.0476205311       -0.4604422363
 H         -0.1907015179       -3.3172809638        1.2765965087
 H          1.0160423694       -0.8772722655        1.2251008946
 H          1.8776618906       -2.4053557842        1.2224531668
 H          1.2026788070       -0.8442052280       -1.3063302889
 H          2.0365895646       -2.3874852916       -1.2135646067
 H          3.6210222872       -0.9669540141        0.4720342352
 H          3.8952666123       -1.0712879341       -1.2613849585
 H          4.1438077184        1.1941017657       -0.6448153926
 H          2.6666805958        1.0610303977       -1.6029513558
 H          2.6306887729        2.5702576644        0.4945664363
 H          2.5318422922        1.0859545748        1.4410449418
 H         -0.8358458010        1.4978848027        1.1305964377
  32
        -46.90441136
 O         -0.0781106019       -1.9197089169        0.8603548152
 C         -0.9588967454       -1.6658048806       -0.0983916597
 O         -0.6420695164       -1.3925794387       -1.2293631035
 C         -2.3836928824       -1.7633999990        0.4017187444
 C         -3.2823887416       -0.6333509779       -0.1102261826
 C         -2.8151667738        0.7543508083        0.3545153098
 C         -2.0283673393        1.4983753988       -0.7288949702
 C         -1.1726177812        2.6466724817       -0.1887873916
 C          0.0182267588        2.1992048034        0.6625885390
 C          1.0543907510        1.4057171991       -0.1299847239
 C          2.1516090751        0.8442289104        0.7916428200
 C          2.8748571017       -0.2512810222        0.0651296007
 O          2.5041716085       -1.4017796925        0.0134244792
 O          3.9679370303        0.1681409780       -0.5619654104
 H          4.3798260063       -0.5534415713       -1.0648684740
 H          2.8527183189        1.6277094891        1.0758026415
 H          1.6887635826        0.4187502751        1.6835201833
 H          1.5088604517        2.0410646613       -0.8919661089
 H          0.5674079625        0.5749696389       -0.6392515409
 H          0.4958978177        3.0832974684        1.0921200202
 H         -0.3379536336        1.5873065946        1.4931150668
 H         -1.8026519014        3.3058846164        0.4138715120
 H         -0.7982369990        3.2295486455       -1.0334339835
 H         -1.3975034990        0.7935807814       -1.2664518249
 H         -2.7362681323        1.9069464290       -1.4539343014
 H         -2.2002752026        0.6350477366        1.2473826146
 H         -3.6784466825        1.3597022266        0.6397360621
 H         -4.2944080581       -0.8255883251        0.2509398683
 H         -3.3051824206       -0.6644094889       -1.2002753566
 H         -2.7770839282       -2.7220034764        0.0529139836
 H         -2.3629468789       -1.7800368314        1.4920640364
 H          0.8520285542       -1.8542540005        0.5269153668
  32
        -46.90436808
 O          0.5130510458        1.6974233042       -0.7552025791
 C          1.3164414345        1.4372234896        0.2691192636
 O          0.9175373717        1.2703266294        1.3941057284
 C          2.7759254167        1.3784447406       -0.1297908841
 C          3.4472310769        0.0972578415        0.3832293051
 C          3.2933863886       -1.1061213541       -0.5533730639
 C          1.8590810051       -1.4112282317       -0.9876466319
 C          0.9298156524       -1.7797540467        0.1692770438
 C         -0.5479724660       -1.6538634760       -0.2160083239
 C         -1.4113852524       -1.3002592869        0.9945271048
 C         -2.8602627038       -1.0111279586        0.6103139862
 C         -3.0340653323        0.2858793759       -0.1306810666
 O         -2.2035582029        1.1461918706       -0.2880834700
 O         -4.2733913417        0.4131258430       -0.6134469487
 H         -4.3803095129        1.2624369632       -1.0711515479
 H         -3.2755347499       -1.8092974048       -0.0087765968
 H         -3.4845182027       -0.9408138350        1.5052149586
 H         -0.9920605752       -0.4169041027        1.4801319713
 H         -1.3903620724       -2.1220931527        1.7122014361
 H         -0.6548061872       -0.8615015808       -0.9590106752
 H         -0.9040095862       -2.5804878682       -0.6726528425
 H          1.1187725767       -1.1086895399        1.0050647125
 H          1.1461786430       -2.7933070961        0.5125043322
 H          1.4581705613       -0.5381053111       -1.5038301207
 H          1.8800752714       -2.2297229097       -1.7119281158
 H          3.7153705265       -1.9821641138       -0.0548790574
 H          3.8866556477       -0.9226498917       -1.4532590941
 H          3.0367780132       -0.1300469515        1.3682482222
 H          4.5155384143        0.2835645824        0.5114551175
 H          2.8617096146        1.4688262540       -1.2120635575
 H          3.2600799638        2.2415870241        0.3328345005
 H         -0.4305714510        1.6583051391       -0.4847575727