0 mol 16 unq 0 iso 0 dist 5.84479 5.35079 6.31718 6.53177 7.63133 10.8455 12.137 10.4366 6.93532 16.9082 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.90845 9.59761 8.86116 9.89489 8.38394 6.44287 16.7308 14.012 9.41441 15.392 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.59893 10.3564 6.83299 11.9881 9.5589 5.08001 8.77224 4.29856 6.14538 10.6808 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 6.59893 10.3564 6.83299 12.4254 8.10861 14.2075 8.77224 4.29856 6.14538 10.4158 numMergedOcc 0
4 mol 54 unq 2 iso 0 dist 5.59773 10.4238 6.83299 13.9079 9.5589 5.08001 5.7405 4.29856 6.14538 10.6808 numMergedOcc 0
5 mol 54 unq 3 iso 0 dist 5.59773 10.4238 6.83299 10.1356 8.10861 14.2075 5.7405 4.29856 6.14538 10.4158 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 9.62468 10.7369 6.65721 11.5608 6.72123 6.86346 19.3555 13.5488 9.25641 14.4663 numMergedOcc 0
7 mol 61 unq 1 iso 0 dist 5.92705 5.4671 6.65721 10.1513 6.72123 6.86346 11.9267 13.5488 9.25641 14.4663 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 9.4473 15.4455 8.22656 11.1611 6.82262 5.61668 19.1869 10.6025 7.71248 12.4749 numMergedOcc 0
9 mol 156 unq 0 iso 0 dist 7.30021 5.0966 7.44554 5.75141 8.94056 5.56175 9.6281 5.4555 9.44367 7.90267 numMergedOcc 0
10 mol 156 unq 1 iso 0 dist 7.30021 5.0966 7.44554 5.75141 8.94056 5.56175 10.9903 11.9952 9.47433 14.7758 numMergedOcc 0
11 mol 156 unq 2 iso 0 dist 7.30021 5.0966 7.44554 12.865 9.83699 8.38403 9.6281 5.4555 9.44367 10.3379 numMergedOcc 0
12 mol 156 unq 3 iso 0 dist 7.30021 5.0966 7.44554 12.865 9.83699 8.38403 10.9903 11.9952 9.47433 13.0431 numMergedOcc 0
13 mol 156 unq 4 iso 0 dist 7.30021 5.75141 8.94056 5.0966 7.44554 5.56175 9.6281 5.4555 7.90267 9.44367 numMergedOcc 0
14 mol 156 unq 5 iso 0 dist 7.30021 5.75141 8.94056 12.865 9.83699 11.2719 9.6281 5.4555 7.90267 10.3379 numMergedOcc 0
15 mol 175 unq 0 iso 0 dist 8.69888 7.39186 6.57069 11.5099 9.0018 8.16421 15.8107 8.29015 9.77896 10.4182 numMergedOcc 0
16 mol 175 unq 1 iso 0 dist 8.69888 7.39186 6.57069 5.50014 5.6234 5.35493 15.8107 8.29015 9.77896 11.6765 numMergedOcc 0
17 mol 175 unq 2 iso 0 dist 5.08206 5.77256 6.57069 12.1783 9.0018 8.16421 11.0322 8.29015 9.77896 10.4182 numMergedOcc 0
18 mol 175 unq 3 iso 0 dist 5.08206 5.77256 6.57069 7.28617 5.6234 5.35493 11.0322 8.29015 9.77896 11.6765 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 7.31105 14.6296 9.23153 9.52692 8.24498 10.5449 12.6669 7.11498 6.59716 13.1498 numMergedOcc 0
20 mol 234 unq 0 iso 0 dist 5.89084 4.74041 6.56247 6.16697 9.45496 5.88703 10.2618 4.46561 9.81425 13.293 numMergedOcc 0
21 mol 234 unq 1 iso 0 dist 8.47009 4.74041 9.36357 6.16697 6.7625 5.88703 10.2618 10.641 9.81425 13.293 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 8.58088 10.221 6.60405 9.22664 6.42289 7.26417 12.1556 5.63675 7.21311 11.2102 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 6.77279 5.71237 8.13497 7.55268 8.53687 10.582 9.69025 8.41846 7.98231 15.5791 numMergedOcc 0
24 mol 259 unq 1 iso 0 dist 9.58006 5.71237 7.88519 9.10984 7.84554 4.86771 9.69025 8.81835 7.98231 11.6972 numMergedOcc 0
25 mol 259 unq 2 iso 0 dist 9.58006 5.71237 7.88519 11.8501 7.46176 6.96053 9.69025 8.81835 7.98231 7.08526 numMergedOcc 0
26 mol 259 unq 3 iso 0 dist 9.58006 5.71237 7.88519 13.9868 9.18903 10.4881 9.69025 8.81835 7.98231 15.8414 numMergedOcc 0
27 mol 259 unq 4 iso 0 dist 9.58006 11.8501 7.46176 5.71237 7.88519 6.96053 9.69025 8.81835 7.08526 7.98231 numMergedOcc 0
28 mol 259 unq 5 iso 0 dist 9.58006 11.8501 7.46176 9.10984 7.84554 7.64658 9.69025 8.81835 7.08526 11.6972 numMergedOcc 0
29 mol 259 unq 6 iso 0 dist 9.58006 11.8501 7.46176 13.9868 9.18903 10.5239 9.69025 8.81835 7.08526 15.8414 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 9.696 10.7962 7.56915 5.1874 8.49997 6.33073 13.0106 5.29529 8.52587 11.6126 numMergedOcc 0
