0 mol 1 unq 0 iso 0 dist 8.26708 10.5521 7.73435 6.27888 7.27254 11.6921 12.8272 12.7486 17.4663 6.86701 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 8.26708 7.15595 5.71995 6.27888 7.27254 10.2632 12.8272 12.7486 16.9119 6.86701 numMergedOcc 0
2 mol 1 unq 2 iso 0 dist 6.09918 7.4817 7.73435 4.50502 7.27254 11.6921 10.488 12.7486 17.4663 6.86701 numMergedOcc 0
3 mol 1 unq 3 iso 0 dist 6.09918 7.63941 5.71995 4.50502 7.27254 10.2632 10.488 12.7486 16.9119 6.86701 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 9.78006 11.0722 5.55437 5.84314 7.05919 8.17486 8.57077 3.98483 8.83269 5.8245 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 6.72502 11.2106 9.40479 5.11636 8.24948 9.57743 8.86116 6.58998 13.0257 7.95042 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 6.72502 5.97304 9.38831 5.11636 8.24948 4.47891 8.86116 6.58998 6.60423 7.95042 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 9.93832 7.05402 7.31982 10.8828 7.24352 4.69849 10.5523 5.64171 8.44903 6.66407 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 8.60739 5.48048 7.31982 5.07458 7.24352 4.69849 5.73819 5.64171 8.44903 6.66407 numMergedOcc 0
9 mol 43 unq 2 iso 0 dist 8.44903 5.64171 7.31982 4.96926 7.15901 4.55347 10.5523 7.05402 9.93832 6.6263 numMergedOcc 0
10 mol 43 unq 3 iso 0 dist 8.44903 5.64171 7.31982 4.96926 7.15901 4.55347 5.73819 5.48048 8.60739 6.75943 numMergedOcc 0
11 mol 93 unq 0 iso 0 dist 9.81831 11.6865 5.51624 9.34182 5.71763 11.0802 17.8114 9.57225 13.3839 9.22631 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 9.81831 12.2598 7.8674 9.34182 5.71763 5.33894 17.8114 9.57225 10.5202 9.22631 numMergedOcc 0
13 mol 93 unq 2 iso 0 dist 9.12858 7.64463 5.51624 12.0103 5.71763 11.0802 18.1813 9.57225 13.3839 9.22631 numMergedOcc 0
14 mol 93 unq 3 iso 0 dist 9.12858 14.8533 7.8674 12.0103 5.71763 5.33894 18.1813 9.57225 10.5202 9.22631 numMergedOcc 0
15 mol 93 unq 4 iso 0 dist 9.4523 8.29171 5.51624 12.9351 5.71763 11.0802 18.6831 9.57225 13.3839 9.22631 numMergedOcc 0
16 mol 93 unq 5 iso 0 dist 9.4523 12.7936 7.8674 12.9351 5.71763 5.33894 18.6831 9.57225 10.5202 9.22631 numMergedOcc 0
17 mol 115 unq 0 iso 0 dist 5.72642 7.21418 8.71286 5.03039 8.4965 8.80697 7.30858 5.61704 10.0289 6.04595 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 7.77116 4.91132 8.03035 9.68677 9.57341 6.29394 16.4353 13.52 14.6439 8.95212 numMergedOcc 0
19 mol 119 unq 1 iso 0 dist 7.77116 4.91132 8.03035 9.68677 9.57341 6.29394 10.3704 4.99056 7.99857 6.99446 numMergedOcc 0
20 mol 119 unq 2 iso 0 dist 7.77116 4.91132 8.03035 9.68677 9.57341 6.29394 8.73993 3.78311 8.56342 7.64052 numMergedOcc 0
21 mol 119 unq 3 iso 0 dist 7.77116 6.08167 7.6968 9.68677 9.57341 9.64502 16.4353 13.52 12.8836 8.95212 numMergedOcc 0
22 mol 119 unq 4 iso 0 dist 7.77116 6.08167 7.6968 9.68677 9.57341 9.64502 10.3704 4.99056 10.4631 6.99446 numMergedOcc 0
23 mol 119 unq 5 iso 0 dist 7.77116 6.08167 7.6968 9.68677 9.57341 9.64502 8.73993 3.78311 6.37542 7.64052 numMergedOcc 0
24 mol 152 unq 0 iso 0 dist 9.77552 7.2238 6.39031 12.4535 6.92726 5.55763 17.7925 9.22869 11.3952 6.41689 numMergedOcc 0
25 mol 152 unq 1 iso 0 dist 9.77552 7.2238 6.39031 12.4535 6.92726 5.55763 15.4635 5.71767 11.2686 9.07758 numMergedOcc 0
26 mol 152 unq 2 iso 0 dist 8.28642 5.59336 6.39031 9.84297 6.92726 5.55763 14.2459 9.22869 11.3952 6.41689 numMergedOcc 0
27 mol 152 unq 3 iso 0 dist 8.28642 5.59336 6.39031 9.84297 6.92726 5.55763 12.6535 5.71767 11.2686 9.07758 numMergedOcc 0
28 mol 152 unq 4 iso 0 dist 8.35555 7.78913 8.60521 4.94983 7.1069 10.6183 10.399 7.2238 14.7746 6.59889 numMergedOcc 0
29 mol 152 unq 5 iso 0 dist 8.35555 7.78913 8.60521 4.94983 7.1069 10.6183 5.87555 5.59336 9.39331 6.70693 numMergedOcc 0
30 mol 152 unq 6 iso 0 dist 8.35555 5.70788 6.39031 4.94983 7.1069 4.71678 10.399 7.2238 9.77552 6.59889 numMergedOcc 0
31 mol 152 unq 7 iso 0 dist 8.35555 5.70788 6.39031 4.94983 7.1069 4.71678 5.87555 5.59336 8.28642 6.70693 numMergedOcc 0
32 mol 225 unq 0 iso 0 dist 8.87609 11.5135 6.53728 17.3148 9.87668 6.35462 22.4468 16.6392 11.5332 8.1945 numMergedOcc 0
33 mol 225 unq 1 iso 0 dist 8.87609 11.5135 6.53728 17.3148 9.87668 6.35462 13.3684 4.76151 6.6561 6.50998 numMergedOcc 0
34 mol 225 unq 2 iso 0 dist 8.87609 11.5135 6.53728 13.3773 8.42121 5.94765 13.3684 4.76151 6.6561 9.09424 numMergedOcc 0
35 mol 225 unq 3 iso 0 dist 8.87609 11.5135 6.53728 9.9875 4.98402 11.2847 13.3684 4.76151 6.6561 8.14831 numMergedOcc 0
36 mol 227 unq 0 iso 0 dist 8.03442 11.0628 9.56257 5.0317 9.43618 7.3164 7.22101 10.5813 8.38865 5.23634 numMergedOcc 0
37 mol 227 unq 1 iso 0 dist 8.03442 11.0628 9.56257 5.0317 9.43618 7.3164 8.65997 7.22396 5.4694 6.91318 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 5.52379 14.1055 9.89583 4.48415 6.53286 13.0611 11.5794 11.0349 17.2012 9.12776 numMergedOcc 0
39 mol 238 unq 1 iso 0 dist 5.52379 14.1055 9.89583 4.48415 6.53286 13.0611 12.2442 10.7551 7.32982 9.72188 numMergedOcc 0
40 mol 252 unq 0 iso 0 dist 6.53679 6.28227 8.55481 5.6214 5.9974 4.34126 10.5136 7.63376 6.86945 7.15764 numMergedOcc 0
41 mol 252 unq 1 iso 0 dist 7.50201 5.25252 8.55481 7.40852 5.9974 4.34126 7.19638 7.63376 6.86945 7.15764 numMergedOcc 0
42 mol 264 unq 0 iso 0 dist 7.52281 4.48907 5.74568 5.71153 6.02757 5.82131 10.4298 6.84156 6.04162 9.19754 numMergedOcc 0
43 mol 264 unq 1 iso 0 dist 7.52281 4.48907 5.74568 5.71153 6.02757 5.82131 9.90113 9.37297 6.14323 8.29262 numMergedOcc 0
44 mol 264 unq 2 iso 0 dist 6.42588 10.1591 5.74568 6.56539 6.02757 5.82131 12.864 6.84156 6.04162 9.19754 numMergedOcc 0
45 mol 264 unq 3 iso 0 dist 6.42588 10.1591 5.74568 6.56539 6.02757 5.82131 13.9815 9.37297 6.14323 8.29262 numMergedOcc 0
46 mol 264 unq 4 iso 0 dist 6.04162 6.84156 5.74568 11.4167 7.14086 7.36132 10.4298 4.48907 7.52281 5.90924 numMergedOcc 0
47 mol 264 unq 5 iso 0 dist 6.04162 6.84156 5.74568 11.4167 7.14086 7.36132 14.2152 9.09085 12.2392 5.90058 numMergedOcc 0
48 mol 264 unq 6 iso 0 dist 6.04162 6.84156 5.74568 11.4167 7.14086 7.36132 12.864 10.1591 6.42588 9.58916 numMergedOcc 0
49 mol 264 unq 7 iso 0 dist 6.14323 9.37297 5.74568 13.2035 7.14086 7.36132 9.90113 4.48907 7.52281 5.90924 numMergedOcc 0
50 mol 264 unq 8 iso 0 dist 6.14323 9.37297 5.74568 13.2035 7.14086 7.36132 14.5869 9.09085 12.2392 5.90058 numMergedOcc 0
51 mol 264 unq 9 iso 0 dist 6.14323 9.37297 5.74568 13.2035 7.14086 7.36132 13.9815 10.1591 6.42588 9.58916 numMergedOcc 0
