0 mol 100 unq 0 iso 0 dist 9.52282 5.09688 6.89762 9.65979 9.57498 6.45675 5.25231 14.5893 9.00544 11.8512 numMergedOcc 0
1 mol 100 unq 1 iso 0 dist 9.52282 5.09688 6.89762 9.65979 9.57498 6.45675 6.16378 6.14415 7.12017 9.52882 numMergedOcc 0
2 mol 100 unq 2 iso 0 dist 9.52282 5.09688 6.89762 12.2879 10.0165 7.47343 5.25231 14.5893 9.00544 14.9392 numMergedOcc 0
3 mol 100 unq 3 iso 0 dist 9.52282 5.09688 6.89762 12.2879 10.0165 7.47343 6.16378 6.14415 7.12017 12.6602 numMergedOcc 0
4 mol 100 unq 4 iso 0 dist 9.52282 5.09688 6.89762 10.2364 15.6218 8.86688 5.25231 14.5893 9.00544 9.01214 numMergedOcc 0
5 mol 100 unq 5 iso 0 dist 9.52282 5.09688 6.89762 10.2364 15.6218 8.86688 6.16378 6.14415 7.12017 14.8674 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 5.66196 5.87387 5.24877 6.4595 9.24515 7.5732 11.3694 7.73842 6.34525 11.128 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 7.48833 8.14071 5.99695 13.1328 10.482 5.83384 10.9764 10.5849 8.03372 6.67948 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 8.95717 6.38977 11.3296 6.82985 15.0724 8.40312 6.53994 11.4181 8.86329 5.89022 numMergedOcc 0
9 mol 131 unq 1 iso 0 dist 8.95717 9.69757 15.665 6.82985 15.0724 7.12972 6.53994 11.4181 8.71039 5.89022 numMergedOcc 0
10 mol 131 unq 2 iso 0 dist 8.95717 9.69757 15.665 6.82985 15.0724 7.12972 13.4383 18.2357 6.92648 9.32969 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 8.2872 6.99089 7.46245 10.1742 13.9196 6.54501 5.50042 11.1254 5.53031 5.35679 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 8.2872 6.99089 7.46245 12.6542 13.403 6.49416 5.50042 11.1254 5.53031 8.46636 numMergedOcc 0
13 mol 143 unq 0 iso 0 dist 9.76501 8.72463 7.03272 14.0766 9.74381 5.99315 4.88215 12.0474 8.41611 12.7056 numMergedOcc 0
14 mol 143 unq 1 iso 0 dist 9.76501 8.72463 7.03272 14.0766 9.74381 5.99315 8.25783 12.7756 7.63338 12.8872 numMergedOcc 0
15 mol 143 unq 2 iso 0 dist 9.76501 8.72463 7.03272 14.0766 9.74381 5.99315 14.7431 15.4164 9.03707 7.76364 numMergedOcc 0
16 mol 143 unq 3 iso 0 dist 9.76501 8.72463 7.03272 14.0766 9.74381 5.99315 12.956 14.1788 7.25673 9.23795 numMergedOcc 0
17 mol 192 unq 0 iso 0 dist 9.67207 9.05666 15.8138 5.64431 11.6579 5.59424 6.93447 16.41 7.24199 7.0057 numMergedOcc 0
18 mol 192 unq 1 iso 0 dist 9.67207 9.05666 15.8138 10.8223 16.8322 7.00794 6.93447 16.41 7.24199 8.51255 numMergedOcc 0
19 mol 227 unq 0 iso 0 dist 9.09371 6.18486 8.98613 6.78651 12.1015 7.55216 5.98086 11.8006 5.87815 10.6244 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 7.00773 9.2521 13.931 12.8083 15.3135 6.22714 6.12311 10.0051 5.64181 10.216 numMergedOcc 0
21 mol 238 unq 1 iso 0 dist 7.00773 9.2521 13.931 10.1821 10.7268 7.31233 6.12311 10.0051 5.64181 7.83352 numMergedOcc 0
22 mol 252 unq 0 iso 0 dist 9.31855 9.78185 13.943 17.5012 21.2167 8.33025 13.7796 19.3339 7.50201 11.056 numMergedOcc 0
23 mol 252 unq 1 iso 0 dist 9.31855 9.78185 13.943 16.8096 22.8185 9.2288 13.7796 19.3339 7.50201 5.23748 numMergedOcc 0
24 mol 252 unq 2 iso 0 dist 9.31855 9.78185 13.943 6.79692 13.2003 7.19638 13.7796 19.3339 7.50201 7.63376 numMergedOcc 0
25 mol 253 unq 0 iso 0 dist 8.27377 7.0247 12.8819 10.9027 18.9173 9.02271 14.5125 18.3936 7.77998 13.6942 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 9.33299 9.47382 12.7868 13.8605 12.9693 7.46176 15.3317 17.224 8.55558 5.60748 numMergedOcc 0
27 mol 259 unq 1 iso 0 dist 9.49732 9.47382 6.18571 13.8605 13.6279 7.46176 15.3317 14.0925 8.55558 5.60748 numMergedOcc 0
