0 mol 7 unq 0 iso 0 dist 5.83658 10.826 9.60499 15.6742 15.5277 7.32392 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 6.30573 6.24146 9.04767 10.6355 10.3326 9.31271 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 8.91266 4.15151 6.38364 8.88058 5.49061 6.89209 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 9.04834 6.05535 4.7319 9.24115 5.70228 8.59049 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 7.46752 6.06561 5.46498 11.7065 5.46269 6.84569 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 9.57498 6.89762 6.45675 11.1963 6.89293 8.92577 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 9.57498 6.89762 6.45675 13.2054 15.1093 9.56324 numMergedOcc 0
7 mol 102 unq 0 iso 0 dist 9.0361 7.49575 7.36792 11.8703 5.09542 9.84673 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 9.56867 9.97256 6.11741 13.9792 5.19652 8.97043 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 6.09472 5.74878 4.99221 10.4328 5.24229 6.04412 numMergedOcc 0
10 mol 115 unq 2 iso 0 dist 8.93552 6.07331 4.99221 8.86521 5.24229 6.04412 numMergedOcc 0
11 mol 115 unq 3 iso 0 dist 6.20658 7.09627 4.99221 9.95293 5.24229 6.04412 numMergedOcc 0
12 mol 125 unq 0 iso 0 dist 9.63302 6.06241 8.62381 9.67137 5.14495 6.03557 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 7.45401 6.8549 7.54065 9.33638 8.61343 5.16813 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 6.86297 8.03427 8.87694 11.6312 11.0854 5.16813 numMergedOcc 0
15 mol 210 unq 0 iso 0 dist 8.07523 13.3929 6.18308 20.8016 12.9212 8.71409 numMergedOcc 0
16 mol 210 unq 1 iso 0 dist 7.56882 12.3088 6.18308 18.654 12.9212 8.71409 numMergedOcc 0
17 mol 222 unq 0 iso 0 dist 7.27481 5.68063 6.00706 6.19798 5.01062 8.7419 numMergedOcc 0
18 mol 222 unq 1 iso 0 dist 7.27481 5.90074 7.54212 6.19798 5.01062 8.5834 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 4.79841 11.4653 8.95269 18.4903 14.1073 9.73411 numMergedOcc 0
20 mol 224 unq 1 iso 0 dist 4.79841 11.4653 8.95269 14.1813 11.8217 7.07564 numMergedOcc 0
21 mol 231 unq 0 iso 0 dist 9.98232 10.9863 7.37839 18.4635 10.613 8.91036 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 9.27989 12.1502 6.16342 14.7477 7.02319 8.61729 numMergedOcc 0
23 mol 253 unq 0 iso 0 dist 7.80525 4.84708 7.32223 11.7612 9.23512 7.26981 numMergedOcc 0
24 mol 253 unq 1 iso 0 dist 7.80525 4.84708 7.32223 11.5934 12.3948 9.02643 numMergedOcc 0
25 mol 253 unq 2 iso 0 dist 7.71295 4.84708 8.31064 11.7612 10.8952 7.26981 numMergedOcc 0
26 mol 253 unq 3 iso 0 dist 7.71295 4.84708 8.31064 11.5934 8.25257 9.02643 numMergedOcc 0
27 mol 253 unq 4 iso 0 dist 7.71295 6.27022 6.73034 11.5934 8.25257 8.68368 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 7.9357 8.73372 6.42289 13.9693 6.50871 8.9706 numMergedOcc 0
29 mol 258 unq 1 iso 0 dist 8.81059 9.78068 6.42289 11.8229 6.50871 8.9706 numMergedOcc 0
30 mol 261 unq 0 iso 0 dist 7.15785 6.5875 8.02547 13.2037 10.3933 8.17205 numMergedOcc 0
31 mol 261 unq 1 iso 0 dist 9.43169 6.5875 6.05727 13.2037 7.8624 8.17205 numMergedOcc 0
32 mol 261 unq 2 iso 0 dist 8.50313 13.3163 8.45658 17.9452 10.3274 6.82526 numMergedOcc 0
33 mol 261 unq 3 iso 0 dist 7.6414 13.6041 8.45658 17.209 10.3274 6.82526 numMergedOcc 0
34 mol 274 unq 0 iso 0 dist 6.21831 6.11218 9.10818 6.08059 5.55557 8.30175 numMergedOcc 0
35 mol 274 unq 1 iso 0 dist 8.3291 6.98398 9.10818 10.2998 5.55557 8.30175 numMergedOcc 0
36 mol 276 unq 0 iso 0 dist 5.30976 6.39319 6.87396 7.76689 6.33662 8.79189 numMergedOcc 0
37 mol 280 unq 0 iso 0 dist 9.26066 12.5899 6.53701 10.04 8.30978 8.80588 numMergedOcc 0
