0 mol 61 unq 0 iso 0 dist 6.4786 5.22908 7.09641 8.29085 9.40835 3.60431 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 5.667 4.73724 8.39101 5.7965 6.92381 7.43211 numMergedOcc 0
2 mol 76 unq 1 iso 0 dist 5.667 3.98395 6.57826 5.7965 6.92381 4.81015 numMergedOcc 0
3 mol 90 unq 0 iso 0 dist 8.79724 13.2676 9.30724 11.6646 6.18681 9.79765 numMergedOcc 0
4 mol 90 unq 1 iso 0 dist 8.79724 13.2676 9.30724 11.9169 9.33288 8.32366 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 8.55666 5.68158 5.44714 8.60758 5.45882 8.67805 numMergedOcc 0
6 mol 113 unq 1 iso 0 dist 8.55666 5.68158 5.44714 7.49297 4.57487 6.03962 numMergedOcc 0
7 mol 113 unq 2 iso 0 dist 8.45284 7.62483 5.44714 5.85846 5.45882 8.67805 numMergedOcc 0
8 mol 113 unq 3 iso 0 dist 8.45284 7.62483 5.44714 5.23629 4.57487 6.03962 numMergedOcc 0
9 mol 113 unq 4 iso 0 dist 7.77845 12.0928 5.44714 10.3632 5.45882 8.67805 numMergedOcc 0
10 mol 113 unq 5 iso 0 dist 7.77845 12.0928 5.44714 9.86085 4.57487 6.03962 numMergedOcc 0
11 mol 113 unq 6 iso 0 dist 9.43828 5.9573 5.44714 14.0625 5.45882 8.67805 numMergedOcc 0
12 mol 113 unq 7 iso 0 dist 9.43828 5.9573 5.44714 11.2311 4.57487 6.03962 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 7.90329 4.64006 7.25217 6.06647 8.61909 5.21212 numMergedOcc 0
14 mol 114 unq 1 iso 0 dist 9.31512 10.6057 9.78437 6.06647 5.96977 5.40104 numMergedOcc 0
15 mol 114 unq 2 iso 0 dist 8.40088 6.20538 9.78437 6.93927 5.96977 5.40104 numMergedOcc 0
16 mol 117 unq 0 iso 0 dist 6.96357 4.36058 8.0578 8.93339 9.86985 6.92687 numMergedOcc 0
17 mol 117 unq 1 iso 0 dist 6.96357 9.75214 8.78982 8.93339 9.86985 10.5972 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 7.62634 13.7534 7.52171 16.061 9.76225 3.48476 numMergedOcc 0
19 mol 197 unq 0 iso 0 dist 9.47487 16.7164 8.32685 11.3271 9.6071 11.8425 numMergedOcc 0
20 mol 197 unq 1 iso 0 dist 9.47487 16.7164 8.32685 15.4113 9.77656 12.2163 numMergedOcc 0
21 mol 197 unq 2 iso 0 dist 9.47487 16.2207 6.74777 11.3271 9.6071 13.1467 numMergedOcc 0
22 mol 197 unq 3 iso 0 dist 9.47487 16.2207 6.74777 15.4113 9.77656 10.0045 numMergedOcc 0
23 mol 197 unq 4 iso 0 dist 9.47487 18.5581 9.62514 11.3271 9.6071 15.1287 numMergedOcc 0
24 mol 197 unq 5 iso 0 dist 9.47487 18.5581 9.62514 15.4113 9.77656 8.82321 numMergedOcc 0
25 mol 212 unq 0 iso 0 dist 6.80916 12.2003 9.15316 5.15503 6.07371 8.689 numMergedOcc 0
26 mol 212 unq 1 iso 0 dist 6.80916 12.2003 9.15316 4.15106 7.98532 12.2861 numMergedOcc 0
27 mol 239 unq 0 iso 0 dist 9.33636 9.40112 5.66792 8.28284 6.16848 6.29809 numMergedOcc 0
28 mol 239 unq 1 iso 0 dist 7.22539 11.0421 5.66792 12.6564 6.16848 6.29809 numMergedOcc 0
29 mol 239 unq 2 iso 0 dist 6.2537 5.1416 5.648 14.4548 9.99181 9.98527 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 9.19369 6.38531 9.53092 9.98034 9.28024 4.21541 numMergedOcc 0
31 mol 264 unq 0 iso 0 dist 6.61098 6.06394 6.21206 11.3526 8.56867 11.7067 numMergedOcc 0
32 mol 264 unq 1 iso 0 dist 6.61098 6.06394 6.21206 8.93485 6.29872 8.75534 numMergedOcc 0
33 mol 264 unq 2 iso 0 dist 6.25794 6.73127 6.21206 6.26054 8.56867 11.7067 numMergedOcc 0
34 mol 264 unq 3 iso 0 dist 6.25794 6.73127 6.21206 3.81537 6.29872 8.75534 numMergedOcc 0
35 mol 286 unq 0 iso 0 dist 5.31897 7.67959 8.39965 4.74746 7.79622 3.85003 numMergedOcc 0
