0 mol 2 unq 0 iso 0 dist 6.47123 8.5893 8.798 9.39095 10.431 7.16799 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 6.47123 8.29974 11.3341 9.39095 10.431 4.03902 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 9.29249 9.98606 6.82303 7.33353 4.51052 8.53624 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 9.29249 9.98606 6.82303 8.55622 5.10352 6.51944 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 5.81553 8.12196 11.1966 9.60648 7.8359 10.0831 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 9.56319 4.80778 9.11662 8.22722 6.208 8.25439 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 6.65267 4.80778 7.88506 8.22722 3.60683 8.25439 numMergedOcc 0
7 mol 133 unq 2 iso 0 dist 9.73038 6.31523 9.11662 8.52036 6.208 8.25439 numMergedOcc 0
8 mol 169 unq 0 iso 0 dist 6.09291 7.43598 12.5502 7.50458 10.1931 11.7922 numMergedOcc 0
9 mol 169 unq 1 iso 0 dist 6.09291 7.43598 12.5502 5.79554 10.5136 9.95128 numMergedOcc 0
10 mol 169 unq 2 iso 0 dist 6.09291 7.43598 12.5502 4.22003 10.212 6.47839 numMergedOcc 0
11 mol 184 unq 0 iso 0 dist 9.34265 5.81126 6.74082 7.65214 10.3105 4.06997 numMergedOcc 0
12 mol 184 unq 1 iso 0 dist 9.34265 8.32306 12.1219 7.65214 10.3105 5.36969 numMergedOcc 0
13 mol 185 unq 0 iso 0 dist 8.85182 6.83972 3.9773 9.1549 4.49455 5.67016 numMergedOcc 0
14 mol 185 unq 1 iso 0 dist 8.85182 6.70069 9.60778 9.1549 4.49455 6.62376 numMergedOcc 0
15 mol 185 unq 2 iso 0 dist 5.7065 6.83972 10.6332 9.1549 9.70184 5.67016 numMergedOcc 0
16 mol 185 unq 3 iso 0 dist 5.7065 6.70069 6.22797 9.1549 9.70184 6.62376 numMergedOcc 0
17 mol 230 unq 0 iso 0 dist 5.19913 8.74988 6.72933 6.99256 3.86973 3.28958 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 9.84479 6.15462 10.2701 8.00949 4.77491 8.72526 numMergedOcc 0
19 mol 232 unq 1 iso 0 dist 9.84479 6.15462 10.2701 8.19257 14.476 4.54332 numMergedOcc 0
20 mol 232 unq 2 iso 0 dist 9.82645 6.15462 12.4228 8.00949 17.8132 8.72526 numMergedOcc 0
21 mol 232 unq 3 iso 0 dist 9.82645 6.15462 12.4228 8.19257 9.96532 4.54332 numMergedOcc 0
22 mol 236 unq 0 iso 0 dist 6.94194 8.70007 6.16825 8.69334 10.4402 11.6737 numMergedOcc 0
23 mol 265 unq 0 iso 0 dist 9.94957 6.21022 6.85532 5.8898 13.1075 6.61195 numMergedOcc 0
24 mol 268 unq 0 iso 0 dist 6.62669 6.48551 5.09882 6.18877 5.92765 4.47392 numMergedOcc 0
25 mol 268 unq 1 iso 0 dist 9.73984 6.48551 11.32 6.18877 7.13665 4.47392 numMergedOcc 0
