0 mol 15 unq 0 iso 0 dist 9.70735 9.5538 7.12903 15.2545 9.03536 8.21493 9.40358 9.97507 5.90976 8.38064 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.84569 5.66529 6.58035 11.8413 10.7015 7.03948 11.958 10.9143 6.2983 5.05803 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 6.84569 5.66529 6.58035 9.59856 5.32694 5.47769 11.958 10.9143 6.2983 6.31718 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 6.84569 5.66529 6.58035 9.59856 5.32694 5.47769 5.46269 5.46498 5.94084 7.63133 numMergedOcc 0
4 mol 16 unq 3 iso 0 dist 6.84569 6.32814 8.41862 10.5516 5.74188 8.16785 5.46269 5.46498 6.73355 8.71745 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 7.46207 7.35595 8.82012 15.3546 13.2136 9.16962 19.2 18.9645 11.887 8.34347 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 6.10011 10.0721 5.64598 10.1112 7.4697 8.70133 5.33851 8.9232 13.4082 9.38498 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 6.10011 10.0721 5.64598 10.1112 7.4697 8.70133 13.4367 11.4799 7.41074 9.96396 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 6.10011 10.0721 5.64598 10.1112 7.4697 8.70133 15.7164 16.0453 15.9882 9.75218 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 6.10011 10.0721 5.64598 8.124 5.7113 4.65521 13.4367 11.4799 7.41074 6.19304 numMergedOcc 0
10 mol 73 unq 4 iso 0 dist 8.124 10.0721 4.65521 10.1112 5.4148 8.70133 5.33851 10.2049 13.4082 9.38498 numMergedOcc 0
11 mol 73 unq 5 iso 0 dist 8.124 10.0721 4.65521 10.1112 5.4148 8.70133 13.4367 6.19304 7.41074 9.96396 numMergedOcc 0
12 mol 73 unq 6 iso 0 dist 8.124 10.0721 4.65521 10.1112 5.4148 8.70133 15.7164 11.6369 15.9882 9.75218 numMergedOcc 0
13 mol 73 unq 7 iso 0 dist 8.124 10.0721 4.65521 6.10011 5.7113 5.64598 8.3449 11.379 9.77992 5.93252 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 6.56728 8.46482 7.22293 13.2962 6.9948 9.47876 11.609 7.47541 7.98917 7.97049 numMergedOcc 0
15 mol 85 unq 1 iso 0 dist 6.56728 8.46482 7.22293 13.2962 6.9948 9.47876 13.5384 7.66905 11.6116 6.19965 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 5.70279 11.8754 7.75343 11.3277 5.88134 6.58204 5.85449 6.65086 10.9608 9.60661 numMergedOcc 0
17 mol 100 unq 1 iso 0 dist 5.70279 11.8754 7.75343 11.3277 5.88134 6.58204 14.5809 10.5134 5.01145 7.17106 numMergedOcc 0
18 mol 100 unq 2 iso 0 dist 5.70279 11.8754 7.75343 11.3277 5.88134 6.58204 7.68675 6.56369 5.69137 9.35224 numMergedOcc 0
19 mol 109 unq 0 iso 0 dist 9.45397 5.38332 9.20981 8.84523 4.98336 5.87358 14.7654 13.4572 9.46098 8.69985 numMergedOcc 0
20 mol 114 unq 0 iso 0 dist 7.23973 5.27409 7.12609 12.9623 8.66412 8.68821 10.1195 10.473 5.33327 7.35754 numMergedOcc 0
21 mol 115 unq 0 iso 0 dist 8.97043 7.266 9.66954 12.9647 7.69052 8.66155 16.4507 13.8473 11.3902 7.30858 numMergedOcc 0
22 mol 115 unq 1 iso 0 dist 8.97043 7.266 9.66954 12.9647 7.69052 8.66155 11.8721 9.33865 6.09023 5.83991 numMergedOcc 0
23 mol 115 unq 2 iso 0 dist 8.97043 7.266 9.66954 12.9647 7.69052 8.66155 5.19652 6.11741 4.61908 7.88312 numMergedOcc 0
24 mol 117 unq 0 iso 0 dist 7.0318 5.70073 6.62561 11.0698 7.22206 7.63616 5.21051 7.90328 4.91401 7.83136 numMergedOcc 0
25 mol 119 unq 0 iso 0 dist 8.88255 10.06 9.63176 16.6272 12.4603 7.44174 10.6442 10.3704 7.36192 9.87172 numMergedOcc 0
26 mol 131 unq 0 iso 0 dist 8.99949 9.45501 6.91348 15.0798 6.63273 8.6243 11.3502 6.85062 6.19596 7.12972 numMergedOcc 0
27 mol 134 unq 0 iso 0 dist 7.27598 7.26771 5.42582 12.3933 5.49782 8.79571 6.50005 6.37586 5.41704 8.94367 numMergedOcc 0
28 mol 134 unq 1 iso 0 dist 7.27598 7.26771 5.42582 12.3933 5.49782 8.79571 12.0971 9.71307 6.17103 9.86662 numMergedOcc 0
29 mol 134 unq 2 iso 0 dist 7.27598 7.26771 5.42582 5.57904 5.00817 8.6355 7.41837 9.5126 10.1448 6.54501 numMergedOcc 0
30 mol 134 unq 3 iso 0 dist 7.27598 7.26771 5.42582 5.57904 5.00817 8.6355 6.50005 6.37586 5.41704 6.49416 numMergedOcc 0
31 mol 134 unq 4 iso 0 dist 5.57904 7.26771 8.6355 12.3933 8.80819 8.79571 6.50005 6.49416 5.41704 8.94367 numMergedOcc 0
32 mol 134 unq 5 iso 0 dist 5.57904 7.26771 8.6355 12.3933 8.80819 8.79571 12.0971 12.5075 6.17103 9.86662 numMergedOcc 0
33 mol 134 unq 6 iso 0 dist 5.57904 7.26771 8.6355 7.27598 5.00817 5.42582 6.50005 6.49416 5.41704 6.37586 numMergedOcc 0
34 mol 134 unq 7 iso 0 dist 5.57904 7.26771 8.6355 7.27598 5.00817 5.42582 12.0971 12.5075 6.17103 9.71307 numMergedOcc 0
35 mol 142 unq 0 iso 0 dist 9.14908 11.8956 9.07935 10.9228 5.32922 7.15475 6.3846 5.31024 9.49653 9.2313 numMergedOcc 0
36 mol 142 unq 1 iso 0 dist 9.14908 11.8956 9.07935 10.9228 5.32922 7.15475 4.39297 7.26382 7.53854 7.73169 numMergedOcc 0
37 mol 142 unq 2 iso 0 dist 9.14908 11.8956 9.07935 10.9228 5.32922 7.15475 7.34484 11.0824 10.3477 8.96657 numMergedOcc 0
38 mol 156 unq 0 iso 0 dist 9.19499 11.9162 9.36805 13.581 8.38403 7.55203 5.66289 7.44554 6.29785 9.83699 numMergedOcc 0
39 mol 156 unq 1 iso 0 dist 7.98018 4.71629 7.55203 10.0213 8.38403 9.36805 4.68187 9.83699 6.29785 7.44554 numMergedOcc 0
40 mol 227 unq 0 iso 0 dist 9.60159 7.35206 8.17891 12.0857 5.22356 6.95902 7.51316 7.22101 6.43754 8.65997 numMergedOcc 0
41 mol 238 unq 0 iso 0 dist 6.06422 5.58989 5.38637 9.6312 5.42006 6.55759 15.0824 10.0756 10.4664 7.31233 numMergedOcc 0
42 mol 238 unq 1 iso 0 dist 7.61478 5.92575 8.96531 11.6421 12.9854 7.02475 15.2667 12.4767 11.2717 7.31233 numMergedOcc 0
43 mol 238 unq 2 iso 0 dist 8.96639 12.8735 9.68513 12.6253 10.1648 9.29858 17.4928 12.8711 13.069 5.72887 numMergedOcc 0
44 mol 238 unq 3 iso 0 dist 4.87108 5.61491 7.49471 7.64276 5.34096 7.19008 7.45873 6.22714 5.17471 7.31233 numMergedOcc 0
45 mol 238 unq 4 iso 0 dist 7.64276 13.9044 6.55759 11.4704 5.42006 5.38637 17.5803 11.101 6.20606 6.57393 numMergedOcc 0
46 mol 238 unq 5 iso 0 dist 7.64276 5.61491 7.19008 4.87108 5.34096 7.49471 7.45873 7.31233 5.17471 6.22714 numMergedOcc 0
47 mol 238 unq 6 iso 0 dist 6.54455 6.74728 7.49471 10.2875 5.34096 7.19008 5.17954 6.22714 5.17471 7.31233 numMergedOcc 0
48 mol 249 unq 0 iso 0 dist 7.72708 6.94174 8.96876 11.455 8.34718 8.83735 11.691 11.7594 5.23473 7.57994 numMergedOcc 0
49 mol 249 unq 1 iso 0 dist 7.72708 6.94174 8.96876 11.455 8.34718 8.83735 11.4562 12.2913 7.38675 6.18582 numMergedOcc 0
50 mol 259 unq 0 iso 0 dist 8.57619 5.4536 8.37865 10.367 12.5353 7.48005 16.4628 15.9169 11.6195 7.88519 numMergedOcc 0
51 mol 259 unq 1 iso 0 dist 8.57619 5.4536 8.37865 10.367 12.5353 7.48005 16.3772 18.2309 11.8736 7.84554 numMergedOcc 0
52 mol 259 unq 2 iso 0 dist 8.57619 5.4536 8.37865 10.367 12.5353 7.48005 11.2159 11.858 5.79468 7.46176 numMergedOcc 0
53 mol 259 unq 3 iso 0 dist 8.57619 5.4536 8.37865 10.367 12.5353 7.48005 15.855 20.3294 12.6649 9.18903 numMergedOcc 0
54 mol 272 unq 0 iso 0 dist 7.31993 13.7563 9.09992 12.3168 5.40809 6.73206 10.4451 8.46116 5.63139 8.33638 numMergedOcc 0
