0 mol 8 unq 0 iso 0 dist 8.80278 9.69819 8.00482 5.95206 8.6405 9.6594 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.73998 9.69819 15.9854 7.55301 5.46588 16.9132 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.41008 9.67946 15.9786 8.01293 6.80822 13.713 numMergedOcc 0
3 mol 37 unq 0 iso 0 dist 8.40835 9.92538 11.4772 9.15298 8.50293 17.6055 numMergedOcc 0
4 mol 37 unq 1 iso 0 dist 8.40835 9.92538 11.4772 10.0341 8.82649 15.0155 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 5.97418 5.39827 9.89377 6.35361 9.46217 7.46994 numMergedOcc 0
6 mol 71 unq 0 iso 0 dist 5.75102 5.70431 6.06105 8.73829 6.59302 11.1188 numMergedOcc 0
7 mol 71 unq 1 iso 0 dist 5.75102 5.70431 6.06105 7.75924 9.93626 12.9029 numMergedOcc 0
8 mol 86 unq 0 iso 0 dist 5.85076 8.98051 7.22511 4.88448 6.15896 10.2579 numMergedOcc 0
9 mol 86 unq 1 iso 0 dist 5.85076 8.98051 7.22511 6.42288 7.51187 13.923 numMergedOcc 0
10 mol 87 unq 0 iso 0 dist 5.92576 9.03196 5.86722 7.55769 7.2668 13.0326 numMergedOcc 0
11 mol 87 unq 1 iso 0 dist 5.92576 7.14461 6.57984 7.55769 7.2668 8.31175 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 9.52282 8.22984 10.0156 10.6273 6.0026 14.4265 numMergedOcc 0
13 mol 158 unq 0 iso 0 dist 6.45502 9.58371 5.97811 4.64868 8.37022 11.0212 numMergedOcc 0
14 mol 158 unq 1 iso 0 dist 8.66056 7.13199 5.97811 6.43732 8.37022 11.0212 numMergedOcc 0
15 mol 167 unq 0 iso 0 dist 6.6514 7.93807 7.33075 6.77802 9.72291 7.80054 numMergedOcc 0
16 mol 189 unq 0 iso 0 dist 8.81184 7.45329 6.41248 5.79318 7.65477 9.33695 numMergedOcc 0
17 mol 189 unq 1 iso 0 dist 8.81184 7.45329 6.41248 4.88868 8.2926 6.31466 numMergedOcc 0
18 mol 189 unq 2 iso 0 dist 8.81184 7.45329 6.41248 10.78 9.31713 14.1821 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 7.42784 7.88169 6.23427 10.0489 8.89838 14.3322 numMergedOcc 0
20 mol 220 unq 1 iso 0 dist 6.11123 9.46179 6.23427 6.17151 8.89838 14.3322 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 9.09371 5.87056 7.15779 13.9486 6.20188 10.9439 numMergedOcc 0
22 mol 227 unq 1 iso 0 dist 9.09371 5.87056 7.15779 18.05 9.47836 15.9093 numMergedOcc 0
23 mol 227 unq 2 iso 0 dist 9.09371 9.84311 13.3228 13.9486 6.20188 19.3821 numMergedOcc 0
24 mol 227 unq 3 iso 0 dist 9.09371 9.84311 13.3228 18.05 9.47836 22.2149 numMergedOcc 0
25 mol 227 unq 4 iso 0 dist 9.09371 8.85568 6.10844 13.9486 6.20188 10.7799 numMergedOcc 0
26 mol 227 unq 5 iso 0 dist 9.09371 8.85568 6.10844 18.05 9.47836 12.0619 numMergedOcc 0
27 mol 282 unq 0 iso 0 dist 7.3389 5.94224 5.61995 6.63358 7.10557 6.8972 numMergedOcc 0
