0 mol 18 unq 0 iso 0 dist 9.12848 6.82841 6.39307 7.37356 4.25207 5.65084 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 9.30547 13.9221 8.55202 13.6387 4.53545 9.9787 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 9.00045 11.1577 4.62314 10.6426 4.4651 6.85523 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 9.00045 11.1577 4.62314 10.8142 9.31889 8.65848 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 9.00045 14.937 6.35234 10.6426 4.4651 5.77326 numMergedOcc 0
5 mol 81 unq 0 iso 0 dist 9.12919 11.932 5.73799 14.3476 5.65355 7.07095 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 6.82522 13.3438 9.70292 12.3834 5.69671 8.57395 numMergedOcc 0
7 mol 95 unq 1 iso 0 dist 6.82522 11.578 9.59704 12.3834 5.69671 9.85409 numMergedOcc 0
8 mol 95 unq 2 iso 0 dist 9.89353 5.89506 9.70292 6.86713 5.69671 8.57395 numMergedOcc 0
9 mol 95 unq 3 iso 0 dist 9.89353 6.40728 9.59704 6.86713 5.69671 9.85409 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 7.92498 9.33696 6.12348 12.6882 14.0364 8.80934 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 7.65299 11.399 8.42219 12.1209 5.24961 6.39384 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 7.65299 11.399 8.42219 17.3466 11.8122 9.42082 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 8.49649 7.97297 8.78303 9.87619 11.9294 9.33094 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 8.49649 7.97297 8.78303 5.79157 6.36794 8.69531 numMergedOcc 0
15 mol 154 unq 0 iso 0 dist 5.67586 4.78116 5.06116 10.9157 5.5065 8.33439 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 6.22466 6.21482 6.52441 9.52413 11.7795 7.2793 numMergedOcc 0
17 mol 197 unq 0 iso 0 dist 8.22331 9.66766 6.0033 6.18446 7.56497 9.10817 numMergedOcc 0
18 mol 197 unq 1 iso 0 dist 8.22331 9.66766 6.0033 9.96544 5.66137 6.86828 numMergedOcc 0
19 mol 204 unq 0 iso 0 dist 9.6317 6.43009 6.14128 11.6937 4.30341 5.94972 numMergedOcc 0
20 mol 223 unq 0 iso 0 dist 7.30699 6.05087 9.6936 12.2486 8.78003 9.33543 numMergedOcc 0
21 mol 223 unq 1 iso 0 dist 9.5073 6.05087 9.36733 12.2486 5.33327 9.33543 numMergedOcc 0
22 mol 225 unq 0 iso 0 dist 8.95503 5.94475 8.87015 13.0446 6.56428 9.7982 numMergedOcc 0
23 mol 233 unq 0 iso 0 dist 7.55878 9.86764 7.1229 13.2954 6.52848 8.51625 numMergedOcc 0
24 mol 233 unq 1 iso 0 dist 4.91191 5.17683 7.1229 6.48196 6.52848 8.51625 numMergedOcc 0
25 mol 285 unq 0 iso 0 dist 9.33149 13.1909 5.09181 9.82717 4.16039 7.80862 numMergedOcc 0
26 mol 285 unq 1 iso 0 dist 5.77107 7.67857 5.09181 6.44657 4.16039 7.80862 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 8.99187 10.5437 5.72473 11.5946 8.04474 7.20674 numMergedOcc 0
