0 mol 11 unq 0 iso 0 dist 9.78518 4.74826 9.36555 8.14553 6.79478 9.67404 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 6.53191 4.98983 5.44539 5.40129 5.38191 6.33921 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 6.56878 4.76335 8.30431 10.1514 9.62468 6.32949 numMergedOcc 0
3 mol 61 unq 1 iso 0 dist 6.56395 4.76335 4.628 10.1514 5.92705 6.32949 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.81722 12.7037 5.39171 5.50724 6.89722 10.5627 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 8.27446 14.5698 9.27355 6.67306 9.68526 10.8067 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 8.27446 14.5698 9.27355 14.8739 7.26679 10.5627 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 8.27446 14.5698 9.27355 8.62642 9.30776 17.4113 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 9.76332 14.5698 8.60363 6.67306 9.72442 10.8067 numMergedOcc 0
9 mol 73 unq 5 iso 0 dist 9.76332 14.5698 8.60363 14.9119 9.02288 16.3515 numMergedOcc 0
10 mol 73 unq 6 iso 0 dist 9.76332 6.15303 9.27331 6.67306 9.72442 10.163 numMergedOcc 0
11 mol 73 unq 7 iso 0 dist 9.76332 6.15303 9.27331 14.9119 9.02288 12.3394 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 8.11757 11.8426 8.67865 11.188 4.98104 5.1767 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 9.27657 9.2338 7.11187 11.0658 6.78459 6.67262 numMergedOcc 0
14 mol 100 unq 1 iso 0 dist 9.27657 4.25275 6.60356 11.0658 6.78459 9.96864 numMergedOcc 0
15 mol 108 unq 0 iso 0 dist 8.92763 15.136 9.32474 15.6191 7.29462 5.60268 numMergedOcc 0
16 mol 132 unq 0 iso 0 dist 9.79876 8.8175 8.15549 6.31956 7.70349 10.469 numMergedOcc 0
17 mol 182 unq 0 iso 0 dist 9.68167 4.8128 8.94671 5.4214 7.86625 4.85077 numMergedOcc 0
18 mol 197 unq 0 iso 0 dist 9.64653 13.6816 8.51118 16.0709 8.64255 8.58314 numMergedOcc 0
19 mol 198 unq 0 iso 0 dist 4.99993 5.38715 4.58291 5.21925 6.47339 4.81051 numMergedOcc 0
20 mol 199 unq 0 iso 0 dist 8.73522 11.0022 9.88917 6.64733 8.68505 11.2655 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 7.60093 6.34942 5.2851 7.39364 9.18675 5.14019 numMergedOcc 0
22 mol 231 unq 0 iso 0 dist 6.00509 5.36501 7.28719 6.68357 7.79865 10.9863 numMergedOcc 0
23 mol 231 unq 1 iso 0 dist 6.00509 5.36501 7.28719 7.6832 6.14348 10.2117 numMergedOcc 0
24 mol 231 unq 2 iso 0 dist 6.00509 5.70809 6.60684 6.68357 7.79865 8.54452 numMergedOcc 0
25 mol 231 unq 3 iso 0 dist 6.00509 5.70809 6.60684 7.6832 6.14348 6.95128 numMergedOcc 0
26 mol 235 unq 0 iso 0 dist 9.50104 11.7155 7.99218 7.64039 7.2346 10.3775 numMergedOcc 0
27 mol 249 unq 0 iso 0 dist 8.05967 4.7367 6.18866 7.31764 5.78121 6.28944 numMergedOcc 0
28 mol 249 unq 1 iso 0 dist 8.05967 4.7367 6.18866 12.5964 7.29898 12.5843 numMergedOcc 0
29 mol 249 unq 2 iso 0 dist 9.62613 4.7367 9.3807 12.5964 8.91685 12.5843 numMergedOcc 0
30 mol 249 unq 3 iso 0 dist 8.75137 13.7221 6.18866 10.7823 5.78121 6.28944 numMergedOcc 0
31 mol 249 unq 4 iso 0 dist 8.75137 13.7221 6.18866 4.24754 7.29898 12.5843 numMergedOcc 0
32 mol 249 unq 5 iso 0 dist 7.82699 13.7221 9.3807 4.24754 8.91685 12.5843 numMergedOcc 0
33 mol 277 unq 0 iso 0 dist 5.73065 8.3109 6.23539 8.05749 8.57532 6.13402 numMergedOcc 0
34 mol 277 unq 1 iso 0 dist 5.73065 8.3109 6.23539 13.2922 9.02914 6.16829 numMergedOcc 0
35 mol 277 unq 2 iso 0 dist 5.73065 8.3109 6.23539 11.9195 6.90434 7.44724 numMergedOcc 0
