0 mol 0 unq 0 iso 0 dist 9.19007 7.02374 7.92928 6.0225 6.94943 4.22598 7.65806 9.64573 12.7627 9.72725 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 5.72491 10.789 9.55056 7.12508 8.15894 4.40641 10.5461 10.2446 10.672 9.87885 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 5.72491 10.789 9.55056 7.12508 8.15894 4.40641 7.10621 5.44992 7.31201 6.1206 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 5.72491 10.515 7.45262 7.12508 8.15894 7.92429 10.5461 10.2446 6.36911 9.87885 numMergedOcc 0
4 mol 7 unq 3 iso 0 dist 5.72491 10.515 7.45262 7.12508 8.15894 7.92429 7.10621 5.44992 9.36807 6.1206 numMergedOcc 0
5 mol 7 unq 4 iso 0 dist 7.88043 12.2708 9.55056 12.8323 8.15894 4.40641 8.41585 10.2446 10.672 9.87885 numMergedOcc 0
6 mol 7 unq 5 iso 0 dist 7.88043 12.2708 9.55056 12.8323 8.15894 4.40641 12.2333 5.44992 7.31201 6.1206 numMergedOcc 0
7 mol 7 unq 6 iso 0 dist 7.88043 6.06176 7.45262 12.8323 8.15894 7.92429 8.41585 10.2446 6.36911 9.87885 numMergedOcc 0
8 mol 7 unq 7 iso 0 dist 7.88043 6.06176 7.45262 12.8323 8.15894 7.92429 12.2333 5.44992 9.36807 6.1206 numMergedOcc 0
9 mol 7 unq 8 iso 0 dist 8.80762 12.2708 7.57354 12.8323 8.45544 4.40641 8.41585 12.3097 10.672 9.87885 numMergedOcc 0
10 mol 7 unq 9 iso 0 dist 8.80762 12.2708 7.57354 12.8323 8.45544 4.40641 12.2333 4.74523 7.31201 6.1206 numMergedOcc 0
11 mol 7 unq 10 iso 0 dist 8.80762 6.06176 6.96586 12.8323 8.45544 7.92429 8.41585 12.3097 6.36911 9.87885 numMergedOcc 0
12 mol 7 unq 11 iso 0 dist 8.80762 6.06176 6.96586 12.8323 8.45544 7.92429 12.2333 4.74523 9.36807 6.1206 numMergedOcc 0
13 mol 9 unq 0 iso 0 dist 9.78006 5.60154 8.04924 5.84314 7.05919 3.91075 8.57077 3.98483 8.47421 5.8245 numMergedOcc 0
14 mol 93 unq 0 iso 0 dist 9.81831 8.58164 7.85041 9.34182 5.71763 9.18194 17.8114 9.57225 16.0334 9.22631 numMergedOcc 0
15 mol 93 unq 1 iso 0 dist 9.12858 9.67788 7.85041 12.0103 5.71763 9.18194 18.1813 9.57225 16.0334 9.22631 numMergedOcc 0
16 mol 93 unq 2 iso 0 dist 9.4523 5.33106 7.85041 12.9351 5.71763 9.18194 18.6831 9.57225 16.0334 9.22631 numMergedOcc 0
17 mol 112 unq 0 iso 0 dist 6.43433 6.72991 7.82011 6.95317 4.99604 4.89178 11.5121 10.1567 13.304 9.02706 numMergedOcc 0
18 mol 112 unq 1 iso 0 dist 6.43433 6.72991 7.82011 6.95317 4.99604 4.89178 7.71338 8.56707 11.6597 8.47988 numMergedOcc 0
19 mol 112 unq 2 iso 0 dist 6.43433 6.72991 7.82011 6.75738 7.44041 9.69404 11.8312 12.6695 17.5367 9.05166 numMergedOcc 0
20 mol 112 unq 3 iso 0 dist 9.92283 8.57646 7.82011 10.9279 4.99604 4.89178 16.5915 10.1567 13.304 9.02706 numMergedOcc 0
21 mol 112 unq 4 iso 0 dist 9.92283 8.57646 7.82011 10.9279 4.99604 4.89178 12.603 8.56707 11.6597 8.47988 numMergedOcc 0
22 mol 112 unq 5 iso 0 dist 9.92283 8.57646 7.82011 5.43385 7.44041 9.69404 11.438 12.6695 17.5367 9.05166 numMergedOcc 0
23 mol 115 unq 0 iso 0 dist 5.72642 11.7126 9.9928 5.03039 8.4965 13.2709 7.30858 5.61704 11.695 6.04595 numMergedOcc 0
24 mol 130 unq 0 iso 0 dist 9.28592 10.3933 6.82089 8.14075 8.24966 4.02212 10.3889 4.28797 7.66168 9.98797 numMergedOcc 0
25 mol 130 unq 1 iso 0 dist 9.28592 9.16988 5.38314 8.14075 8.24966 5.46642 10.3889 4.28797 9.12581 9.98797 numMergedOcc 0
26 mol 143 unq 0 iso 0 dist 7.25673 6.01455 7.88655 4.78563 8.612 4.38322 5.99315 9.23795 9.27292 5.37047 numMergedOcc 0
27 mol 178 unq 0 iso 0 dist 4.92088 5.25267 5.98771 6.42973 8.25282 5.88866 6.69288 10.1489 10.5498 7.06025 numMergedOcc 0
28 mol 188 unq 0 iso 0 dist 8.57261 12.0548 7.48284 9.71636 7.79115 6.39872 13.353 5.48276 6.90541 7.88013 numMergedOcc 0
29 mol 225 unq 0 iso 0 dist 8.87609 5.06326 7.29542 17.3148 9.87668 13.317 22.4468 16.6392 17.6316 8.1945 numMergedOcc 0
30 mol 225 unq 1 iso 0 dist 8.87609 5.06326 7.29542 17.3148 9.87668 13.317 13.3684 4.76151 10.7328 6.50998 numMergedOcc 0
31 mol 225 unq 2 iso 0 dist 8.87609 5.06326 7.29542 13.3773 8.42121 10.43 13.3684 4.76151 10.7328 9.09424 numMergedOcc 0
32 mol 225 unq 3 iso 0 dist 8.87609 5.06326 7.29542 9.9875 4.98402 10.7885 13.3684 4.76151 10.7328 8.14831 numMergedOcc 0
33 mol 227 unq 0 iso 0 dist 8.03442 6.43754 7.1372 5.0317 9.43618 4.09934 7.22101 10.5813 8.17891 5.23634 numMergedOcc 0
34 mol 227 unq 1 iso 0 dist 8.03442 6.43754 7.1372 5.0317 9.43618 4.09934 8.65997 7.22396 6.95902 6.91318 numMergedOcc 0
35 mol 238 unq 0 iso 0 dist 5.52379 11.6239 7.61203 4.48415 6.53286 9.75095 11.5794 11.0349 7.67322 9.12776 numMergedOcc 0
36 mol 238 unq 1 iso 0 dist 5.52379 11.6239 7.61203 4.48415 6.53286 9.75095 12.2442 10.7551 12.1104 9.72188 numMergedOcc 0
37 mol 238 unq 2 iso 0 dist 5.52379 13.9614 9.47845 4.48415 6.53286 11.7938 11.5794 11.0349 12.3367 9.12776 numMergedOcc 0
38 mol 238 unq 3 iso 0 dist 5.52379 13.9614 9.47845 4.48415 6.53286 11.7938 12.2442 10.7551 9.29858 9.72188 numMergedOcc 0
39 mol 238 unq 4 iso 0 dist 5.52379 12.3042 6.92409 4.48415 6.53286 11.7709 11.5794 11.0349 13.5581 9.12776 numMergedOcc 0
40 mol 238 unq 5 iso 0 dist 5.52379 12.3042 6.92409 4.48415 6.53286 11.7709 12.2442 10.7551 10.7386 9.72188 numMergedOcc 0
41 mol 238 unq 6 iso 0 dist 5.52379 5.54325 6.89694 4.48415 6.53286 6.12722 11.5794 11.0349 7.19008 9.12776 numMergedOcc 0
42 mol 238 unq 7 iso 0 dist 5.52379 5.54325 6.89694 4.48415 6.53286 6.12722 12.2442 10.7551 15.0465 9.72188 numMergedOcc 0
43 mol 252 unq 0 iso 0 dist 6.11473 4.23801 6.57207 5.6214 9.39658 9.43777 10.5136 13.9054 14.7097 7.15764 numMergedOcc 0
44 mol 264 unq 0 iso 0 dist 6.04162 8.16326 9.42738 11.4167 7.14086 9.04569 10.4298 4.48907 12.3016 5.90924 numMergedOcc 0
45 mol 264 unq 1 iso 0 dist 6.04162 8.16326 9.42738 11.4167 7.14086 9.04569 14.2152 9.09085 12.2802 5.90058 numMergedOcc 0
46 mol 264 unq 2 iso 0 dist 6.04162 8.16326 9.42738 11.4167 7.14086 9.04569 12.864 10.1591 14.5867 9.58916 numMergedOcc 0
47 mol 264 unq 3 iso 0 dist 6.14323 12.3807 9.42738 13.2035 7.14086 9.04569 9.90113 4.48907 12.3016 5.90924 numMergedOcc 0
48 mol 264 unq 4 iso 0 dist 6.14323 12.3807 9.42738 13.2035 7.14086 9.04569 14.5869 9.09085 12.2802 5.90058 numMergedOcc 0
49 mol 264 unq 5 iso 0 dist 6.14323 12.3807 9.42738 13.2035 7.14086 9.04569 13.9815 10.1591 14.5867 9.58916 numMergedOcc 0
