0 mol 18 unq 0 iso 0 dist 8.17979 7.23594 10.6394 5.16057 9.02151 10.8911 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 9.4759 6.44693 9.15208 8.91975 17.1657 9.24758 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.41008 7.0928 12.4427 6.5461 7.24223 11.1954 numMergedOcc 0
3 mol 36 unq 0 iso 0 dist 4.10339 7.34019 9.45335 9.0321 6.40864 10.1196 numMergedOcc 0
4 mol 36 unq 1 iso 0 dist 4.10339 7.34019 9.45335 8.88147 12.0287 6.97061 numMergedOcc 0
5 mol 36 unq 2 iso 0 dist 4.10339 8.43828 5.98566 9.0321 6.40864 5.81516 numMergedOcc 0
6 mol 36 unq 3 iso 0 dist 4.10339 8.43828 5.98566 8.88147 12.0287 12.6598 numMergedOcc 0
7 mol 42 unq 0 iso 0 dist 6.30589 7.06199 7.29621 5.94284 4.76867 5.37955 numMergedOcc 0
8 mol 69 unq 0 iso 0 dist 8.20839 6.27528 8.8408 7.91401 13.9338 6.14227 numMergedOcc 0
9 mol 69 unq 1 iso 0 dist 8.20839 6.27528 8.8408 8.68643 13.6465 9.0801 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 5.66196 5.87387 5.24877 9.0904 12.0642 9.48108 numMergedOcc 0
11 mol 114 unq 1 iso 0 dist 5.66196 6.06543 8.47567 9.0904 12.0642 3.9247 numMergedOcc 0
12 mol 132 unq 0 iso 0 dist 7.14447 9.0339 11.6877 9.7415 8.45021 14.303 numMergedOcc 0
13 mol 132 unq 1 iso 0 dist 7.14447 8.48641 11.8999 9.7415 8.45021 11.7302 numMergedOcc 0
14 mol 132 unq 2 iso 0 dist 7.14447 6.23573 5.77316 9.7415 8.45021 5.36913 numMergedOcc 0
15 mol 136 unq 0 iso 0 dist 9.67457 6.53519 10.4141 8.17454 14.4862 5.63037 numMergedOcc 0
16 mol 136 unq 1 iso 0 dist 9.67457 6.53519 10.4141 9.2549 14.1732 4.14443 numMergedOcc 0
17 mol 148 unq 0 iso 0 dist 8.60157 9.7168 5.77745 9.62458 13.2874 11.3247 numMergedOcc 0
18 mol 148 unq 1 iso 0 dist 8.60157 7.38138 11.2162 9.62458 13.2874 9.61708 numMergedOcc 0
19 mol 148 unq 2 iso 0 dist 6.72591 9.7168 12.9245 9.62458 16.2048 11.3247 numMergedOcc 0
20 mol 148 unq 3 iso 0 dist 6.72591 7.38138 10.5987 9.62458 16.2048 9.61708 numMergedOcc 0
21 mol 150 unq 0 iso 0 dist 8.59359 9.61132 5.71213 9.64273 13.3343 11.3177 numMergedOcc 0
22 mol 150 unq 1 iso 0 dist 8.59359 7.34423 11.2566 9.64273 13.3343 9.72618 numMergedOcc 0
23 mol 150 unq 2 iso 0 dist 6.80192 9.61132 12.8684 9.64273 16.2826 11.3177 numMergedOcc 0
24 mol 150 unq 3 iso 0 dist 6.80192 7.34423 10.4881 9.64273 16.2826 9.72618 numMergedOcc 0
25 mol 187 unq 0 iso 0 dist 5.26804 7.68247 4.98423 8.9118 4.8196 6.93763 numMergedOcc 0
26 mol 192 unq 0 iso 0 dist 9.67207 9.05666 15.8138 6.08455 7.71442 10.375 numMergedOcc 0
27 mol 227 unq 0 iso 0 dist 9.09371 9.93154 5.71921 9.92621 12.5433 10.2987 numMergedOcc 0
28 mol 227 unq 1 iso 0 dist 9.09371 9.18218 9.08864 9.92621 12.5433 14.5919 numMergedOcc 0
29 mol 227 unq 2 iso 0 dist 9.09371 6.18486 8.98613 9.92621 12.5433 14.3995 numMergedOcc 0
30 mol 252 unq 0 iso 0 dist 9.31855 9.78185 13.943 6.35781 7.39922 6.56535 numMergedOcc 0
31 mol 252 unq 1 iso 0 dist 9.31855 9.78185 13.943 8.06117 10.7426 4.51829 numMergedOcc 0
32 mol 283 unq 0 iso 0 dist 6.89455 7.92491 6.41403 5.34771 9.97273 6.79513 numMergedOcc 0
33 mol 283 unq 1 iso 0 dist 6.89455 7.92491 6.41403 9.2825 9.005 11.9095 numMergedOcc 0
34 mol 283 unq 2 iso 0 dist 8.821 7.92491 4.69801 5.34771 5.25699 6.79513 numMergedOcc 0
35 mol 283 unq 3 iso 0 dist 8.821 7.92491 4.69801 9.2825 15.311 11.9095 numMergedOcc 0
36 mol 283 unq 4 iso 0 dist 9.82337 7.92491 13.1972 5.34771 14.4262 6.79513 numMergedOcc 0
37 mol 283 unq 5 iso 0 dist 9.82337 7.92491 13.1972 9.2825 5.14397 11.9095 numMergedOcc 0
