0 mol 24 unq 0 iso 0 dist 9.97806 8.13365 12.1157 7.63824 7.33787 9.76111 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.32779 8.13365 5.92191 7.63824 5.43498 9.76111 numMergedOcc 0
2 mol 51 unq 0 iso 0 dist 8.58008 8.99612 8.3248 6.64146 8.2204 4.63184 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 6.84323 9.27092 4.44795 6.58981 4.29679 6.8858 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 7.24768 9.27092 4.83921 6.58981 8.07308 6.8858 numMergedOcc 0
5 mol 62 unq 2 iso 0 dist 7.24768 6.56664 6.33119 9.1926 3.66673 9.17877 numMergedOcc 0
6 mol 62 unq 3 iso 0 dist 7.24768 9.58156 10.1976 9.1926 3.66673 13.7909 numMergedOcc 0
7 mol 62 unq 4 iso 0 dist 8.51622 9.27092 6.16158 6.58981 10.3525 6.8858 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 9.93577 9.89618 11.498 8.17454 10.526 4.79453 numMergedOcc 0
9 mol 90 unq 1 iso 0 dist 7.38568 4.75701 4.52556 6.02596 4.66066 4.79453 numMergedOcc 0
10 mol 90 unq 2 iso 0 dist 8.6767 9.89618 4.52556 8.17454 4.66066 4.79453 numMergedOcc 0
11 mol 91 unq 0 iso 0 dist 8.42914 8.00525 7.45926 7.09177 6.21311 4.73184 numMergedOcc 0
12 mol 91 unq 1 iso 0 dist 8.17327 8.00525 5.55005 7.09177 7.17072 4.73184 numMergedOcc 0
13 mol 91 unq 2 iso 0 dist 9.52936 8.00525 9.57561 7.09177 10.0233 4.73184 numMergedOcc 0
14 mol 93 unq 0 iso 0 dist 5.27541 9.10877 6.09816 8.61597 13.113 13.6379 numMergedOcc 0
15 mol 95 unq 0 iso 0 dist 6.4081 8.27456 11.9095 9.98215 5.47525 17.0418 numMergedOcc 0
16 mol 111 unq 0 iso 0 dist 5.68841 7.42431 4.41283 6.33923 7.42165 6.34994 numMergedOcc 0
17 mol 111 unq 1 iso 0 dist 5.68841 7.42431 4.41283 9.9801 7.93667 8.26306 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 8.27008 6.53153 4.82833 6.01995 5.27905 5.81903 numMergedOcc 0
19 mol 133 unq 1 iso 0 dist 8.27008 6.29975 4.32516 6.01995 5.27905 6.12885 numMergedOcc 0
20 mol 133 unq 2 iso 0 dist 8.27008 8.29673 8.58958 6.01995 5.27905 11.0915 numMergedOcc 0
21 mol 178 unq 0 iso 0 dist 7.55683 5.41229 6.96904 6.3472 8.84201 4.69387 numMergedOcc 0
22 mol 178 unq 1 iso 0 dist 7.55683 8.57378 7.57303 6.3472 8.84201 3.70233 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 5.52744 8.8508 8.70286 7.00382 8.73397 4.63377 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 9.39009 6.70123 5.07427 9.50155 4.21164 6.7745 numMergedOcc 0
25 mol 278 unq 0 iso 0 dist 7.81282 9.30751 11.299 7.73107 7.14333 7.3987 numMergedOcc 0
26 mol 278 unq 1 iso 0 dist 6.08019 9.30751 7.02863 7.73107 5.40345 7.3987 numMergedOcc 0
27 mol 281 unq 0 iso 0 dist 9.18565 7.04661 4.89583 7.43535 16.2801 12.8596 numMergedOcc 0
