0 mol 42 unq 0 iso 0 dist 8.00967 7.92237 7.41857 9.67906 9.28732 3.53534 numMergedOcc 0
1 mol 90 unq 0 iso 0 dist 8.79724 15.6816 8.39016 11.6646 6.18681 4.79453 numMergedOcc 0
2 mol 90 unq 1 iso 0 dist 8.79724 15.6816 8.39016 11.9169 9.33288 7.5298 numMergedOcc 0
3 mol 90 unq 2 iso 0 dist 8.79724 10.7007 6.99355 11.6646 6.18681 6.34112 numMergedOcc 0
4 mol 90 unq 3 iso 0 dist 8.79724 10.7007 6.99355 11.9169 9.33288 4.87139 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 8.55666 8.10801 6.81812 8.60758 5.45882 7.84907 numMergedOcc 0
6 mol 113 unq 1 iso 0 dist 8.55666 8.10801 6.81812 7.49297 4.57487 4.11536 numMergedOcc 0
7 mol 113 unq 2 iso 0 dist 8.45284 6.95438 6.81812 5.85846 5.45882 7.84907 numMergedOcc 0
8 mol 113 unq 3 iso 0 dist 8.45284 6.95438 6.81812 5.23629 4.57487 4.11536 numMergedOcc 0
9 mol 113 unq 4 iso 0 dist 7.77845 11.224 6.81812 10.3632 5.45882 7.84907 numMergedOcc 0
10 mol 113 unq 5 iso 0 dist 7.77845 11.224 6.81812 9.86085 4.57487 4.11536 numMergedOcc 0
11 mol 113 unq 6 iso 0 dist 9.43828 9.14701 6.81812 14.0625 5.45882 7.84907 numMergedOcc 0
12 mol 113 unq 7 iso 0 dist 9.43828 9.14701 6.81812 11.2311 4.57487 4.11536 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 7.83743 5.61542 8.68821 11.2581 9.26486 10.5728 numMergedOcc 0
14 mol 114 unq 1 iso 0 dist 7.83743 6.5491 7.12609 11.2581 9.26486 5.74761 numMergedOcc 0
15 mol 114 unq 2 iso 0 dist 9.31512 6.6622 6.96442 6.06647 5.96977 4.97363 numMergedOcc 0
16 mol 114 unq 3 iso 0 dist 8.40088 4.61737 6.96442 6.93927 5.96977 4.97363 numMergedOcc 0
17 mol 117 unq 0 iso 0 dist 6.96357 7.23362 7.20326 8.93339 9.86985 13.36 numMergedOcc 0
18 mol 127 unq 0 iso 0 dist 8.50625 9.80469 6.192 6.99757 9.70065 7.10019 numMergedOcc 0
19 mol 127 unq 1 iso 0 dist 8.50625 5.46474 7.69308 6.99757 9.70065 3.51923 numMergedOcc 0
20 mol 127 unq 2 iso 0 dist 8.50625 10.7122 8.59981 6.99757 9.70065 14.8455 numMergedOcc 0
21 mol 127 unq 3 iso 0 dist 8.50625 13.0671 7.66331 6.99757 9.70065 14.6454 numMergedOcc 0
22 mol 127 unq 4 iso 0 dist 8.97156 13.0804 9.81878 8.34668 7.79077 12.7606 numMergedOcc 0
23 mol 176 unq 0 iso 0 dist 6.47176 7.68038 8.61331 5.25264 9.67312 6.40668 numMergedOcc 0
24 mol 176 unq 1 iso 0 dist 8.92131 4.68256 8.61331 3.97245 9.67312 6.40668 numMergedOcc 0
25 mol 184 unq 0 iso 0 dist 9.03971 13.7762 9.52936 13.4601 9.46392 7.44296 numMergedOcc 0
26 mol 184 unq 1 iso 0 dist 9.03971 10.3465 9.15417 13.4601 9.46392 5.48752 numMergedOcc 0
27 mol 194 unq 0 iso 0 dist 7.62634 5.69334 6.47873 16.061 9.76225 11.7478 numMergedOcc 0
28 mol 194 unq 1 iso 0 dist 7.62634 13.4175 8.38695 16.061 9.76225 3.77029 numMergedOcc 0
29 mol 197 unq 0 iso 0 dist 9.47487 17.6057 8.99696 11.3271 9.6071 16.9912 numMergedOcc 0
30 mol 197 unq 1 iso 0 dist 9.47487 17.6057 8.99696 15.4113 9.77656 11.9685 numMergedOcc 0
31 mol 214 unq 0 iso 0 dist 6.56655 5.4238 7.46831 5.89293 9.86587 8.3225 numMergedOcc 0
32 mol 214 unq 1 iso 0 dist 6.56655 10.9346 8.60247 5.89293 9.86587 16.4035 numMergedOcc 0
33 mol 239 unq 0 iso 0 dist 7.35524 4.94369 7.20082 5.88801 9.82674 8.19606 numMergedOcc 0
34 mol 259 unq 0 iso 0 dist 9.19369 5.07898 7.48005 9.98034 9.28024 6.65799 numMergedOcc 0
35 mol 259 unq 1 iso 0 dist 9.19369 15.9608 8.37865 9.98034 9.28024 9.53031 numMergedOcc 0
36 mol 264 unq 0 iso 0 dist 6.61098 15.2943 9.5784 11.3526 8.56867 11.147 numMergedOcc 0
37 mol 264 unq 1 iso 0 dist 6.61098 15.2943 9.5784 8.93485 6.29872 10.0018 numMergedOcc 0
38 mol 264 unq 2 iso 0 dist 6.25794 12.3535 9.5784 6.26054 8.56867 11.147 numMergedOcc 0
39 mol 264 unq 3 iso 0 dist 6.25794 12.3535 9.5784 3.81537 6.29872 10.0018 numMergedOcc 0
