0 mol 43 unq 0 iso 0 dist 8.06275 9.72346 9.86609 5.5249 8.80331 7.39848 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.06275 9.72346 9.86609 10.4413 6.20293 11.4251 numMergedOcc 0
2 mol 51 unq 0 iso 0 dist 6.67213 7.01107 4.63184 6.57102 9.0709 11.7843 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 9.56181 8.85601 7.05257 7.70414 9.67592 13.143 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 9.43143 9.85325 4.7874 10.5786 8.8178 11.4964 numMergedOcc 0
5 mol 72 unq 1 iso 0 dist 9.43143 9.85325 4.7874 16.2349 9.96708 14.6356 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 9.29446 9.9934 15.5077 11.2307 7.9245 18.9488 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 8.3558 7.06722 9.85978 15.1474 7.4729 16.8453 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 8.3558 7.06722 9.85978 8.66262 6.82344 13.2183 numMergedOcc 0
9 mol 95 unq 0 iso 0 dist 8.07365 6.54247 4.23405 14.1188 7.27724 11.0573 numMergedOcc 0
10 mol 95 unq 1 iso 0 dist 7.90775 8.6356 7.82258 4.16047 9.03572 11.8859 numMergedOcc 0
11 mol 102 unq 0 iso 0 dist 8.84131 9.00369 3.48119 8.90571 7.36792 5.54256 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 7.85583 8.83567 4.69658 4.38646 7.71338 6.87434 numMergedOcc 0
13 mol 112 unq 1 iso 0 dist 8.86938 6.79584 4.69658 4.9102 7.71338 6.87434 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 9.70016 7.25771 5.46207 13.2553 5.86073 9.30832 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 8.43116 9.82655 12.6623 4.96719 5.11551 12.8676 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 6.23645 9.82655 6.34182 4.96719 7.11972 12.8676 numMergedOcc 0
17 mol 115 unq 2 iso 0 dist 6.23645 9.82655 6.34182 6.47836 6.90986 5.93278 numMergedOcc 0
18 mol 120 unq 0 iso 0 dist 5.06555 8.0889 5.61274 7.75534 8.75408 12.0528 numMergedOcc 0
19 mol 120 unq 1 iso 0 dist 5.06555 8.0889 5.61274 5.61914 6.44653 7.53694 numMergedOcc 0
20 mol 142 unq 0 iso 0 dist 4.93681 6.4119 4.05822 12.8283 9.2313 8.04118 numMergedOcc 0
21 mol 142 unq 1 iso 0 dist 4.93681 6.4119 4.05822 10.1677 7.73169 8.39035 numMergedOcc 0
22 mol 142 unq 2 iso 0 dist 4.93681 6.4119 4.05822 10.0866 8.96657 11.6454 numMergedOcc 0
23 mol 169 unq 0 iso 0 dist 6.28961 7.07933 5.38859 5.3864 8.49164 11.7009 numMergedOcc 0
24 mol 205 unq 0 iso 0 dist 6.11505 4.72209 7.35363 9.35174 9.61492 13.8425 numMergedOcc 0
25 mol 205 unq 1 iso 0 dist 6.11505 4.72209 7.35363 11.3225 7.45763 12.5568 numMergedOcc 0
26 mol 214 unq 0 iso 0 dist 9.43611 6.26596 4.15355 11.2069 8.82096 9.06459 numMergedOcc 0
27 mol 231 unq 0 iso 0 dist 6.02527 9.59251 8.58535 6.68357 7.37839 13.3733 numMergedOcc 0
28 mol 231 unq 1 iso 0 dist 6.02527 9.59251 8.58535 7.6832 8.40182 11.7319 numMergedOcc 0
29 mol 235 unq 0 iso 0 dist 6.45574 8.28824 4.75609 6.70342 5.4638 8.08965 numMergedOcc 0
30 mol 239 unq 0 iso 0 dist 8.82778 9.0495 4.61469 11.4665 6.16342 9.68695 numMergedOcc 0
31 mol 241 unq 0 iso 0 dist 6.90245 7.65636 4.07839 5.3674 7.4631 10.0267 numMergedOcc 0
32 mol 248 unq 0 iso 0 dist 7.40475 5.76741 6.19721 7.63032 7.69895 7.79063 numMergedOcc 0
33 mol 248 unq 1 iso 0 dist 7.40475 5.76741 6.19721 6.42334 7.21521 9.64778 numMergedOcc 0
34 mol 248 unq 2 iso 0 dist 7.40475 5.76741 6.19721 6.86606 8.2965 11.1716 numMergedOcc 0
35 mol 261 unq 0 iso 0 dist 9.80409 8.55479 11.4108 4.63237 9.14619 12.3855 numMergedOcc 0
36 mol 261 unq 1 iso 0 dist 9.80409 8.55479 11.4108 6.39263 8.45658 8.24356 numMergedOcc 0
37 mol 265 unq 0 iso 0 dist 8.49415 9.40917 5.94366 4.05162 8.4218 10.2644 numMergedOcc 0
38 mol 265 unq 1 iso 0 dist 8.49415 5.44039 7.71667 4.05162 8.4218 5.7944 numMergedOcc 0
39 mol 294 unq 0 iso 0 dist 7.77765 7.0445 14.5847 9.62211 8.15665 15.2886 numMergedOcc 0
