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| -34.47250024 | |
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| O 1.6501547092 -0.6883618286 -0.3791268121 | |
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| H -2.2906623395 -0.3333420920 1.6973975609 | |
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| H -2.4886436933 2.0107706888 -1.2159729282 | |
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| H 0.2459908991 1.5208537798 1.5063026496 | |
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| -34.47093621 | |
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| O 1.2477566191 -1.0331121218 -0.4476922786 | |
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| 21 | |
| -34.46941415 | |
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| C 1.2965128612 -1.0741360990 0.1239928118 | |
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| O 1.9283716701 0.0941017014 -0.2053329592 | |
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| O 1.4857638077 2.2904683708 -0.2719205612 | |
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| C -2.6375704105 0.5439186768 0.2217503195 | |
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| H -0.2096500514 1.0901895307 1.6406644395 | |
| H -0.3558623688 -1.2659882996 1.4770864316 | |