0 mol 76 unq 0 iso 0 dist 5.25083 7.28582 9.42735 7.63534 6.71804 4.79949 8.23534 7.88113 6.66954 4.3931 numMergedOcc 0
1 mol 76 unq 1 iso 0 dist 5.25083 8.88157 9.98078 7.63534 6.71804 7.27693 9.2958 4.80291 9.75201 6.45686 numMergedOcc 0
2 mol 76 unq 2 iso 0 dist 8.7835 10.3858 9.42735 11.6094 6.71804 4.79949 11.1977 7.88113 6.66954 4.3931 numMergedOcc 0
3 mol 76 unq 3 iso 0 dist 8.7835 12.3527 9.98078 11.6094 6.71804 7.27693 13.2992 4.80291 9.75201 6.45686 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 9.27407 3.74136 5.89661 10.4641 8.38283 9.81831 7.29701 8.64726 7.62611 4.4022 numMergedOcc 0
5 mol 93 unq 1 iso 0 dist 9.27407 3.74136 5.89661 11.1217 6.13065 9.12858 7.29701 8.64726 7.62611 8.96224 numMergedOcc 0
6 mol 93 unq 2 iso 0 dist 9.27407 3.74136 5.89661 9.10877 11.0971 9.4523 7.29701 8.64726 7.62611 10.3849 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 6.56066 3.90578 6.07991 9.84539 9.52181 6.34525 10.5407 14.3305 9.35942 12.7083 numMergedOcc 0
8 mol 126 unq 0 iso 0 dist 9.61698 16.3823 9.31118 12.94 5.50061 9.46588 14.5503 5.23583 5.94233 6.0268 numMergedOcc 0
9 mol 126 unq 1 iso 0 dist 9.61698 16.3823 9.31118 12.94 5.50061 9.46588 20.1387 11.0459 8.56219 8.01268 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 7.50959 4.91324 7.67321 13.0881 13.9674 9.28592 13.7244 15.6039 9.13191 8.01932 numMergedOcc 0
11 mol 130 unq 1 iso 0 dist 7.50959 4.91324 7.67321 13.0881 13.9674 9.28592 8.65287 8.90781 6.95405 6.75397 numMergedOcc 0
12 mol 147 unq 0 iso 0 dist 7.2409 7.70253 7.94147 11.5623 10.4411 5.49226 9.70579 5.93581 7.25644 11.1681 numMergedOcc 0
13 mol 147 unq 1 iso 0 dist 7.2409 7.70253 7.94147 11.0807 6.11262 6.28351 9.70579 5.93581 7.25644 5.50251 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 8.99149 4.41466 6.86144 7.15963 5.65167 6.51749 5.87853 5.71112 7.11785 5.6044 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 8.99149 4.41466 6.86144 11.5431 9.23179 7.20392 5.87853 5.71112 7.11785 12.9468 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 8.41494 12.1694 5.31166 12.2632 5.95114 9.56197 15.1522 9.11826 7.46987 9.74148 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 8.41494 12.1694 5.31166 8.16369 5.93294 7.24795 15.1522 9.11826 7.46987 7.30024 numMergedOcc 0
18 mol 186 unq 2 iso 0 dist 8.41494 12.1694 5.31166 17.0127 8.88219 8.64409 15.1522 9.11826 7.46987 11.6919 numMergedOcc 0
19 mol 186 unq 3 iso 0 dist 8.41494 12.1694 5.31166 15.4561 7.74823 7.60202 15.1522 9.11826 7.46987 5.3967 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 9.4945 5.16567 9.06496 6.70123 7.0797 6.57903 11.2514 10.0166 7.85414 6.28695 numMergedOcc 0
21 mol 277 unq 1 iso 0 dist 9.4945 5.16567 9.06496 12.2817 7.32232 9.65707 11.2514 10.0166 7.85414 4.39413 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 5.90003 4.81143 7.84195 10.2545 11.4893 8.29305 13.6311 13.3542 9.30921 9.37316 numMergedOcc 0
23 mol 279 unq 1 iso 0 dist 5.90003 4.81143 7.84195 10.8638 12.9462 6.43341 13.6311 13.3542 9.30921 5.58929 numMergedOcc 0
