0 mol 59 unq 0 iso 0 dist 5.8166 8.97292 6.34748 14.1347 13.5562 7.71095 10.0237 7.70259 5.3525 8.24062 numMergedOcc 0
1 mol 59 unq 1 iso 0 dist 6.47468 8.97292 13.0793 14.1347 19.6226 7.71095 10.0237 13.6463 5.3525 8.24062 numMergedOcc 0
2 mol 100 unq 0 iso 0 dist 9.52282 5.09688 6.89762 12.2879 10.0165 7.47343 20.0169 16.4991 15.209 7.75343 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 5.66196 6.06543 8.47567 5.51609 11.0684 7.35754 9.91452 13.3538 5.33327 8.68821 numMergedOcc 0
4 mol 127 unq 0 iso 0 dist 9.57623 9.79448 8.89539 6.02237 6.66607 9.30299 10.4933 6.09683 4.77464 9.81878 numMergedOcc 0
5 mol 178 unq 0 iso 0 dist 7.33326 6.01118 5.84525 9.73148 12.5152 6.69288 13.3172 14.2469 10.5783 8.96511 numMergedOcc 0
6 mol 192 unq 0 iso 0 dist 9.67207 9.05666 15.8138 5.64431 11.6579 5.59424 8.15486 14.6227 5.71262 8.36822 numMergedOcc 0
7 mol 238 unq 0 iso 0 dist 7.00773 9.82174 9.4693 10.4397 10.639 6.57393 6.54661 5.32456 6.20606 5.38637 numMergedOcc 0
8 mol 238 unq 1 iso 0 dist 7.00773 9.2521 13.931 12.8083 15.3135 6.22714 12.0613 14.8857 5.17471 7.49471 numMergedOcc 0
9 mol 238 unq 2 iso 0 dist 7.00773 9.2521 13.931 10.1821 10.7268 7.31233 6.54661 5.32456 10.4664 6.55759 numMergedOcc 0
10 mol 238 unq 3 iso 0 dist 7.00773 9.2521 13.931 10.1821 10.7268 7.31233 8.97261 6.26991 11.2717 7.02475 numMergedOcc 0
11 mol 238 unq 4 iso 0 dist 7.00773 9.2521 13.931 10.1821 10.7268 7.31233 13.7887 11.5539 12.6986 7.67322 numMergedOcc 0
12 mol 238 unq 5 iso 0 dist 7.00773 9.2521 13.931 10.1821 10.7268 7.31233 12.0613 14.8857 5.17471 7.19008 numMergedOcc 0
13 mol 252 unq 0 iso 0 dist 9.31855 9.78185 13.943 17.5012 21.2167 8.33025 18.825 20.4826 9.37715 7.66365 numMergedOcc 0
14 mol 259 unq 0 iso 0 dist 9.33299 6.49599 7.32419 13.8605 12.9693 7.88519 15.0738 17.6309 11.6195 7.48005 numMergedOcc 0
15 mol 259 unq 1 iso 0 dist 9.33299 9.34738 6.04412 13.8605 12.9693 7.84554 15.0738 17.6309 11.8736 7.48005 numMergedOcc 0
16 mol 259 unq 2 iso 0 dist 9.33299 9.47382 12.7868 13.8605 12.9693 7.46176 15.0738 17.6309 5.79468 7.48005 numMergedOcc 0
17 mol 259 unq 3 iso 0 dist 9.49732 6.49599 11.0067 13.8605 13.6279 7.88519 15.0738 10.0667 11.6195 7.48005 numMergedOcc 0
18 mol 259 unq 4 iso 0 dist 9.49732 9.34738 11.569 13.8605 13.6279 7.84554 15.0738 10.0667 11.8736 7.48005 numMergedOcc 0
19 mol 259 unq 5 iso 0 dist 9.49732 9.47382 6.18571 13.8605 13.6279 7.46176 15.0738 10.0667 5.79468 7.48005 numMergedOcc 0
20 mol 276 unq 0 iso 0 dist 8.0652 7.11272 11.0506 5.75852 11.1221 6.87396 7.3327 14.3341 6.4102 8.76347 numMergedOcc 0
21 mol 282 unq 0 iso 0 dist 7.28238 7.70229 6.17747 8.93697 12.9555 8.76532 14.2443 13.6674 8.14825 8.8673 numMergedOcc 0
22 mol 282 unq 1 iso 0 dist 7.28238 7.90792 7.94567 8.93697 12.9555 6.33524 14.2443 13.6674 7.36881 8.8673 numMergedOcc 0
23 mol 282 unq 2 iso 0 dist 7.3389 7.70229 13.1327 8.93697 12.9821 8.76532 14.2443 18.5831 8.14825 8.8673 numMergedOcc 0
24 mol 282 unq 3 iso 0 dist 7.3389 7.90792 11.2762 8.93697 12.9821 6.33524 14.2443 18.5831 7.36881 8.8673 numMergedOcc 0
