0 mol 7 unq 0 iso 0 dist 8.14952 5.83658 4.92824 10.826 13.7022 9.60499 15.6742 20.2007 15.5277 7.32392 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 7.66311 8.91266 7.00835 4.15151 8.39221 6.38364 8.88058 6.09608 5.49061 6.89209 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 9.31149 9.04834 9.14256 6.05535 10.2723 4.7319 9.24115 7.68045 5.70228 8.59049 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 7.88676 7.46752 6.53177 6.06561 8.67719 5.46498 11.7065 9.57729 5.46269 6.84569 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 6.60356 9.57498 14.3495 6.89762 11.5472 6.45675 11.1963 12.644 6.89293 8.92577 numMergedOcc 0
5 mol 100 unq 1 iso 0 dist 6.60356 9.57498 14.3495 6.89762 11.5472 6.45675 13.2054 13.5986 15.1093 9.56324 numMergedOcc 0
6 mol 102 unq 0 iso 0 dist 8.63522 9.0361 10.2218 7.49575 12.8661 7.36792 11.8703 14.576 5.09542 9.84673 numMergedOcc 0
7 mol 102 unq 1 iso 0 dist 5.43401 9.0361 8.17186 7.49575 9.10229 7.36792 11.8703 12.6508 5.09542 9.84673 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 7.67341 8.93552 11.909 6.07331 11.6732 4.99221 8.86521 9.95303 5.24229 6.04412 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 6.43585 6.86297 5.43796 8.03427 12.4816 8.87694 11.6312 14.7959 11.0854 5.16813 numMergedOcc 0
10 mol 210 unq 0 iso 0 dist 6.24111 8.07523 5.82028 13.3929 9.67457 6.18308 20.8016 17.7409 12.9212 8.71409 numMergedOcc 0
11 mol 210 unq 1 iso 0 dist 9.00343 7.56882 5.82028 12.3088 9.67457 6.18308 18.654 17.7409 12.9212 8.71409 numMergedOcc 0
12 mol 210 unq 2 iso 0 dist 8.60412 8.07523 4.62641 13.3929 9.90494 6.18308 20.8016 14.2946 12.9212 8.71409 numMergedOcc 0
13 mol 210 unq 3 iso 0 dist 7.05535 7.56882 4.62641 12.3088 9.90494 6.18308 18.654 14.2946 12.9212 8.71409 numMergedOcc 0
14 mol 224 unq 0 iso 0 dist 7.62593 4.79841 5.41021 11.4653 9.33771 8.95269 18.4903 13.9782 14.1073 9.73411 numMergedOcc 0
15 mol 224 unq 1 iso 0 dist 7.62593 4.79841 5.41021 11.4653 9.33771 8.95269 14.1813 14.788 11.8217 7.07564 numMergedOcc 0
16 mol 231 unq 0 iso 0 dist 7.28719 9.98232 5.3251 10.9863 7.79865 7.37839 18.4635 14.3729 10.613 8.91036 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 8.34832 9.27989 11.4465 12.1502 15.8376 6.16342 14.7477 13.4778 7.02319 8.61729 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 6.08181 8.81059 13.8694 9.78068 15.2652 6.42289 11.8229 15.0481 6.50871 8.9706 numMergedOcc 0
19 mol 258 unq 1 iso 0 dist 7.70189 8.81059 9.22664 9.78068 8.58088 6.42289 11.8229 7.42035 6.50871 8.9706 numMergedOcc 0
20 mol 261 unq 0 iso 0 dist 6.41477 7.15785 4.50761 6.5875 10.2386 8.02547 13.2037 14.6403 10.3933 8.17205 numMergedOcc 0
21 mol 261 unq 1 iso 0 dist 6.41477 9.43169 8.80293 6.5875 10.2386 6.05727 13.2037 14.6403 7.8624 8.17205 numMergedOcc 0
22 mol 261 unq 2 iso 0 dist 9.70222 7.6414 11.544 13.6041 17.2791 8.45658 17.209 17.7179 10.3274 6.82526 numMergedOcc 0
23 mol 274 unq 0 iso 0 dist 9.07452 6.21831 6.57235 6.11218 7.80446 9.10818 6.08059 5.44831 5.55557 8.30175 numMergedOcc 0
24 mol 274 unq 1 iso 0 dist 7.21004 6.21831 4.97216 6.11218 9.91395 9.10818 6.08059 9.91966 5.55557 8.30175 numMergedOcc 0
25 mol 274 unq 2 iso 0 dist 6.44266 8.3291 6.57235 6.98398 7.80446 9.10818 10.2998 5.44831 5.55557 8.30175 numMergedOcc 0
26 mol 274 unq 3 iso 0 dist 8.75703 8.3291 4.97216 6.98398 9.91395 9.10818 10.2998 9.91966 5.55557 8.30175 numMergedOcc 0
27 mol 276 unq 0 iso 0 dist 8.14494 5.30976 9.95911 6.39319 13.3495 6.87396 7.76689 7.93109 6.33662 8.79189 numMergedOcc 0
