0 mol 15 unq 0 iso 0 dist 8.0637 9.60736 5.61111 7.38118 5.70754 10.3229 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 6.53312 6.62508 7.77448 6.95803 8.76224 9.2146 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 5.9948 9.77719 7.77448 4.3475 8.76224 9.2146 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 4.85282 5.6359 5.46563 4.85685 6.35779 9.19512 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 6.49446 5.48283 5.56988 10.9175 8.7531 12.3772 numMergedOcc 0
5 mol 62 unq 2 iso 0 dist 6.49446 5.48283 5.56988 5.4275 7.25138 7.16844 numMergedOcc 0
6 mol 62 unq 3 iso 0 dist 6.49446 8.18866 3.71033 10.9175 8.7531 10.6151 numMergedOcc 0
7 mol 62 unq 4 iso 0 dist 6.49446 8.18866 3.71033 5.4275 7.25138 9.24339 numMergedOcc 0
8 mol 67 unq 0 iso 0 dist 5.77675 5.35145 3.77705 5.88789 8.4702 5.88409 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 7.18358 7.56 3.80156 8.10649 9.853 12.2964 numMergedOcc 0
10 mol 168 unq 0 iso 0 dist 8.80094 8.96534 3.90323 3.6038 8.47543 10.0928 numMergedOcc 0
11 mol 168 unq 1 iso 0 dist 8.80094 8.65328 6.97182 3.6038 8.47543 8.26768 numMergedOcc 0
12 mol 168 unq 2 iso 0 dist 8.80094 5.69346 13.358 3.6038 8.47543 9.04677 numMergedOcc 0
13 mol 168 unq 3 iso 0 dist 8.07126 9.02836 3.90323 4.88037 8.47543 10.0928 numMergedOcc 0
14 mol 168 unq 4 iso 0 dist 8.07126 8.55388 13.358 4.88037 8.47543 9.04677 numMergedOcc 0
15 mol 171 unq 0 iso 0 dist 7.7195 7.87612 13.0669 4.71092 7.06555 10.8681 numMergedOcc 0
16 mol 171 unq 1 iso 0 dist 8.30819 5.98495 9.74745 10.7165 7.06555 13.9205 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 5.39622 5.09756 3.6848 6.14958 6.99587 9.17458 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 5.39622 5.09756 3.6848 5.87342 4.37577 7.36794 numMergedOcc 0
19 mol 186 unq 2 iso 0 dist 5.39622 7.44523 5.33968 6.14958 6.99587 6.94594 numMergedOcc 0
20 mol 186 unq 3 iso 0 dist 5.39622 7.44523 5.33968 5.87342 4.37577 5.81881 numMergedOcc 0
21 mol 186 unq 4 iso 0 dist 9.75853 9.56218 13.3592 4.32488 7.69952 13.0271 numMergedOcc 0
22 mol 186 unq 5 iso 0 dist 9.75853 8.30899 13.0046 4.32488 7.69952 11.9623 numMergedOcc 0
23 mol 192 unq 0 iso 0 dist 7.83389 7.1329 3.81315 9.84703 5.05414 8.7652 numMergedOcc 0
24 mol 192 unq 1 iso 0 dist 7.83389 7.1329 3.81315 10.1702 7.16964 10.0838 numMergedOcc 0
25 mol 220 unq 0 iso 0 dist 6.50591 8.52022 4.8632 6.47265 7.45831 11.5172 numMergedOcc 0
26 mol 232 unq 0 iso 0 dist 8.15743 7.13253 6.54593 9.67326 9.67243 13.577 numMergedOcc 0
27 mol 243 unq 0 iso 0 dist 9.6748 7.42359 6.76489 6.56644 6.46793 9.53137 numMergedOcc 0
28 mol 260 unq 0 iso 0 dist 4.76689 6.54521 6.73886 5.30931 7.88108 11.5762 numMergedOcc 0
29 mol 260 unq 1 iso 0 dist 4.76689 6.54521 6.73886 7.91474 9.46576 7.49606 numMergedOcc 0
30 mol 260 unq 2 iso 0 dist 8.79012 7.97307 9.0549 8.90225 7.88108 8.51564 numMergedOcc 0
31 mol 260 unq 3 iso 0 dist 8.79012 7.97307 9.0549 4.38276 9.46576 11.8771 numMergedOcc 0
32 mol 260 unq 4 iso 0 dist 8.79012 8.52702 17.1277 8.90225 7.88108 14.3252 numMergedOcc 0
33 mol 260 unq 5 iso 0 dist 8.79012 8.52702 17.1277 4.38276 9.46576 9.73217 numMergedOcc 0
34 mol 266 unq 0 iso 0 dist 9.477 6.61768 7.54309 4.58167 7.93375 8.20376 numMergedOcc 0
35 mol 270 unq 0 iso 0 dist 4.60602 9.34963 12.8011 9.89802 7.97614 18.9947 numMergedOcc 0
36 mol 270 unq 1 iso 0 dist 6.62637 9.6012 12.2628 8.63373 7.97614 17.887 numMergedOcc 0
