0 mol 34 unq 0 iso 0 dist 8.36524 7.66913 7.86199 5.39587 4.55481 9.12176 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 8.36524 7.66913 7.86199 6.47252 13.4762 9.21138 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 5.9651 8.44761 10.0743 6.09085 7.50975 5.75753 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 5.9651 6.81124 6.20057 6.09085 7.50975 5.26311 numMergedOcc 0
4 mol 69 unq 0 iso 0 dist 8.29727 9.71247 10.2679 7.21134 11.6801 5.1678 numMergedOcc 0
5 mol 69 unq 1 iso 0 dist 8.29727 4.95459 4.97969 7.21134 11.6801 11.1059 numMergedOcc 0
6 mol 70 unq 0 iso 0 dist 6.77833 6.13606 4.36555 8.63204 12.7012 8.92835 numMergedOcc 0
7 mol 70 unq 1 iso 0 dist 6.77833 6.13606 4.36555 5.4014 8.20805 5.07553 numMergedOcc 0
8 mol 70 unq 2 iso 0 dist 9.83265 8.42287 4.36555 9.19079 12.7012 8.92835 numMergedOcc 0
9 mol 70 unq 3 iso 0 dist 9.83265 8.42287 4.36555 8.37742 8.20805 5.07553 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 7.90775 8.4204 13.3662 7.84956 7.45908 12.8132 numMergedOcc 0
11 mol 95 unq 1 iso 0 dist 7.90775 8.4204 13.3662 8.57607 4.99174 15.7954 numMergedOcc 0
12 mol 95 unq 2 iso 0 dist 7.90775 8.4204 13.3662 6.1991 4.46005 10.4348 numMergedOcc 0
13 mol 95 unq 3 iso 0 dist 7.90775 8.4204 13.3662 5.96246 8.28518 5.88327 numMergedOcc 0
14 mol 95 unq 4 iso 0 dist 8.49531 8.4204 6.71199 7.84956 10.2496 12.8132 numMergedOcc 0
15 mol 95 unq 5 iso 0 dist 8.49531 8.4204 6.71199 8.57607 16.6518 15.7954 numMergedOcc 0
16 mol 95 unq 6 iso 0 dist 8.49531 8.4204 6.71199 6.1991 13.1525 10.4348 numMergedOcc 0
17 mol 95 unq 7 iso 0 dist 8.49531 8.4204 6.71199 5.96246 7.26851 5.88327 numMergedOcc 0
18 mol 109 unq 0 iso 0 dist 6.43255 9.88541 9.29894 8.00085 5.00433 5.79394 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 9.42271 6.08299 5.71679 7.76446 15.9138 11.5269 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 9.42271 6.08299 5.71679 6.14652 12.3479 6.93712 numMergedOcc 0
21 mol 154 unq 0 iso 0 dist 6.44195 8.85675 10.0639 8.59532 4.55687 14.2356 numMergedOcc 0
22 mol 154 unq 1 iso 0 dist 7.34207 8.85675 5.27847 8.59532 13.5599 14.2356 numMergedOcc 0
23 mol 162 unq 0 iso 0 dist 5.21803 8.27017 5.8736 9.71155 5.65603 10.518 numMergedOcc 0
24 mol 169 unq 0 iso 0 dist 6.28961 8.59976 10.3792 8.89822 5.7891 7.33583 numMergedOcc 0
25 mol 169 unq 1 iso 0 dist 6.28961 9.71763 8.6888 8.89822 5.7891 3.95773 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 9.52413 8.34668 15.1778 8.9388 15.4336 4.03697 numMergedOcc 0
27 mol 186 unq 1 iso 0 dist 9.52413 8.76308 8.14815 8.9388 15.4336 14.8715 numMergedOcc 0
28 mol 186 unq 2 iso 0 dist 6.0639 6.0685 7.94756 9.16579 7.38602 6.42554 numMergedOcc 0
29 mol 186 unq 3 iso 0 dist 6.0639 6.0685 7.94756 8.95209 11.6282 3.87082 numMergedOcc 0
30 mol 186 unq 4 iso 0 dist 6.91355 6.0685 7.02735 9.16579 4.26355 6.42554 numMergedOcc 0
31 mol 186 unq 5 iso 0 dist 6.91355 6.0685 7.02735 8.95209 10.5033 3.87082 numMergedOcc 0
32 mol 205 unq 0 iso 0 dist 9.25882 6.32542 6.09749 9.71147 6.95738 8.8607 numMergedOcc 0
33 mol 205 unq 1 iso 0 dist 9.25882 6.32542 6.09749 6.32553 3.56269 5.28417 numMergedOcc 0
34 mol 214 unq 0 iso 0 dist 9.43611 6.90717 7.8472 5.56977 8.48942 3.91276 numMergedOcc 0
35 mol 217 unq 0 iso 0 dist 7.58097 5.88992 4.92696 9.41353 13.1665 11.304 numMergedOcc 0
36 mol 217 unq 1 iso 0 dist 7.58097 5.88992 4.92696 8.28155 13.7271 9.98266 numMergedOcc 0
37 mol 217 unq 2 iso 0 dist 8.58773 5.19677 4.92696 7.83824 5.0908 4.17047 numMergedOcc 0
38 mol 236 unq 0 iso 0 dist 8.95071 5.27184 9.52712 5.9625 10.5937 3.86189 numMergedOcc 0
39 mol 236 unq 1 iso 0 dist 8.95071 7.98527 9.82639 5.9625 10.5937 5.69926 numMergedOcc 0
40 mol 266 unq 0 iso 0 dist 6.95233 8.31182 9.2768 7.30349 6.17213 10.0756 numMergedOcc 0
41 mol 266 unq 1 iso 0 dist 9.61741 8.31182 5.82477 7.30349 10.9352 10.0756 numMergedOcc 0
42 mol 266 unq 2 iso 0 dist 5.61056 8.31182 7.15796 7.30349 4.0027 10.0756 numMergedOcc 0
43 mol 277 unq 0 iso 0 dist 7.151 6.71956 6.28695 9.22453 11.2997 6.64795 numMergedOcc 0
44 mol 277 unq 1 iso 0 dist 8.53324 6.71956 4.37645 9.22453 4.40029 6.64795 numMergedOcc 0
45 mol 277 unq 2 iso 0 dist 7.23956 6.71956 7.70529 9.22453 3.97543 6.64795 numMergedOcc 0
