0 mol 7 unq 0 iso 0 dist 7.15434 11.2706 7.10621 10.7937 8.72114 13.8829 8.75346 9.67164 13.156 5.5683 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 6.4754 7.06064 9.62879 5.3298 7.18019 4.36226 4.67793 9.01112 7.12261 4.1204 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 6.57999 7.35767 9.62879 7.97177 7.18019 4.36226 11.5556 9.01112 7.12261 4.1204 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 13.4836 8.60554 8.52463 12.0268 8.09311 11.6226 15.4445 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.20058 16.6906 8.86116 13.4836 8.60554 8.52463 9.10781 9.05357 13.1949 11.8971 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 8.20058 16.6906 8.86116 11.9824 8.44664 10.971 12.0268 8.09311 11.6226 3.84336 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 8.20058 16.6906 8.86116 11.9824 8.44664 10.971 9.10781 9.05357 13.1949 7.01276 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 8.20058 16.6906 8.86116 9.04355 9.44691 13.4893 12.0268 8.09311 11.6226 13.0295 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 8.20058 16.6906 8.86116 9.04355 9.44691 13.4893 9.10781 9.05357 13.1949 4.02219 numMergedOcc 0
9 mol 24 unq 6 iso 0 dist 8.20058 14.9411 8.38394 13.4836 8.60554 12.3994 12.0268 8.09311 6.17155 15.4445 numMergedOcc 0
10 mol 24 unq 7 iso 0 dist 8.20058 14.9411 8.38394 13.4836 8.60554 12.3994 9.10781 9.05357 10.3122 11.8971 numMergedOcc 0
11 mol 24 unq 8 iso 0 dist 8.20058 14.9411 8.38394 11.9824 8.44664 5.30734 12.0268 8.09311 6.17155 3.84336 numMergedOcc 0
12 mol 24 unq 9 iso 0 dist 8.20058 14.9411 8.38394 11.9824 8.44664 5.30734 9.10781 9.05357 10.3122 7.01276 numMergedOcc 0
13 mol 24 unq 10 iso 0 dist 8.20058 14.9411 8.38394 9.04355 9.44691 12.505 12.0268 8.09311 6.17155 13.0295 numMergedOcc 0
14 mol 24 unq 11 iso 0 dist 8.20058 14.9411 8.38394 9.04355 9.44691 12.505 9.10781 9.05357 10.3122 4.02219 numMergedOcc 0
15 mol 25 unq 0 iso 0 dist 6.23095 10.747 7.31767 12.1434 8.6653 5.64303 11.9503 7.6114 6.10919 10.8122 numMergedOcc 0
16 mol 25 unq 1 iso 0 dist 6.23095 11.5983 6.03987 12.1434 8.6653 5.82503 11.9503 7.6114 5.86705 10.8122 numMergedOcc 0
17 mol 56 unq 0 iso 0 dist 8.96238 7.43826 8.66265 4.936 7.16773 6.63327 12.9131 9.03564 6.75591 9.76482 numMergedOcc 0
18 mol 72 unq 0 iso 0 dist 6.68311 8.1124 8.8178 15.1138 9.27838 15.434 8.89611 7.12321 4.27726 14.005 numMergedOcc 0
19 mol 72 unq 1 iso 0 dist 6.68311 15.0607 9.96708 15.1138 9.27838 11.6378 8.89611 7.12321 7.47371 14.005 numMergedOcc 0
20 mol 100 unq 0 iso 0 dist 8.22596 5.11615 8.87449 6.21679 7.80975 7.97897 12.9651 9.90751 9.72773 15.0328 numMergedOcc 0
21 mol 100 unq 1 iso 0 dist 8.22596 5.11615 8.87449 6.21679 7.80975 7.97897 13.0711 9.21662 9.39125 12.48 numMergedOcc 0
22 mol 100 unq 2 iso 0 dist 8.92577 6.89293 6.45675 5.48646 7.38135 7.11701 10.5559 7.82475 5.43561 7.55779 numMergedOcc 0
23 mol 100 unq 3 iso 0 dist 8.92577 6.89293 6.45675 5.48646 7.38135 7.11701 11.1947 5.35782 6.30222 8.00947 numMergedOcc 0
24 mol 100 unq 4 iso 0 dist 8.92577 12.0555 7.47343 5.48646 7.38135 11.2312 10.5559 7.82475 5.9143 7.55779 numMergedOcc 0
25 mol 100 unq 5 iso 0 dist 8.92577 12.0555 7.47343 5.48646 7.38135 11.2312 11.1947 5.35782 5.47563 8.00947 numMergedOcc 0
26 mol 100 unq 6 iso 0 dist 8.92577 12.7188 8.86688 5.48646 7.38135 7.79768 10.5559 7.82475 5.25234 7.55779 numMergedOcc 0
27 mol 100 unq 7 iso 0 dist 8.92577 12.7188 8.86688 5.48646 7.38135 7.79768 11.1947 5.35782 5.03232 8.00947 numMergedOcc 0
28 mol 100 unq 8 iso 0 dist 9.56324 15.1093 6.45675 11.0196 7.38135 7.11701 15.353 7.82475 5.43561 7.55779 numMergedOcc 0
29 mol 100 unq 9 iso 0 dist 9.56324 15.1093 6.45675 11.0196 7.38135 7.11701 12.9628 5.35782 6.30222 8.00947 numMergedOcc 0
30 mol 100 unq 10 iso 0 dist 9.56324 16.8752 7.47343 11.0196 7.38135 11.2312 15.353 7.82475 5.9143 7.55779 numMergedOcc 0
31 mol 100 unq 11 iso 0 dist 9.56324 16.8752 7.47343 11.0196 7.38135 11.2312 12.9628 5.35782 5.47563 8.00947 numMergedOcc 0
32 mol 100 unq 12 iso 0 dist 9.56324 13.0353 8.86688 11.0196 7.38135 7.79768 15.353 7.82475 5.25234 7.55779 numMergedOcc 0
33 mol 100 unq 13 iso 0 dist 9.56324 13.0353 8.86688 11.0196 7.38135 7.79768 12.9628 5.35782 5.03232 8.00947 numMergedOcc 0
34 mol 109 unq 0 iso 0 dist 8.84523 14.7654 8.69985 10.8869 7.80523 7.74599 10.5361 7.07971 4.69373 5.92927 numMergedOcc 0
35 mol 113 unq 0 iso 0 dist 9.08014 7.41343 5.86073 10.3234 8.8822 10.1816 9.3549 8.80934 5.70579 7.1951 numMergedOcc 0
36 mol 113 unq 1 iso 0 dist 9.08014 7.41343 5.86073 9.4626 9.66219 8.42718 9.3549 8.80934 5.70579 3.84573 numMergedOcc 0
37 mol 119 unq 0 iso 0 dist 8.62648 4.6251 8.73993 9.25614 6.52773 7.20179 12.6962 7.64052 9.68677 5.37917 numMergedOcc 0
38 mol 119 unq 1 iso 0 dist 8.62648 4.6251 8.73993 5.53673 9.23858 9.89358 12.6962 7.64052 9.68677 15.7711 numMergedOcc 0
39 mol 133 unq 0 iso 0 dist 9.79004 10.0277 7.24514 13.2968 7.71248 4.34568 5.37122 8.26547 5.03174 8.88402 numMergedOcc 0
40 mol 133 unq 1 iso 0 dist 9.79004 7.33132 8.22656 13.2968 7.71248 10.6025 5.37122 8.26547 4.88025 8.88402 numMergedOcc 0
41 mol 181 unq 0 iso 0 dist 8.90247 5.114 9.1374 6.56225 6.2479 6.6251 11.9701 9.76212 12.9532 6.39406 numMergedOcc 0
42 mol 181 unq 1 iso 0 dist 8.90247 14.0828 8.03334 6.56225 6.2479 7.81713 11.9701 9.76212 6.50233 6.39406 numMergedOcc 0
43 mol 232 unq 0 iso 0 dist 9.95045 12.5761 8.27212 4.95971 9.05071 8.80479 13.3209 6.71524 5.10213 11.2243 numMergedOcc 0
