0 mol 15 unq 0 iso 0 dist 9.70735 9.40358 9.97507 9.5538 7.12903 5.90976 15.2545 9.03536 8.38064 8.21493 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 9.70735 4.90888 6.82505 9.5538 7.12903 5.51916 15.2545 9.03536 10.4158 8.21493 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 6.84569 5.46269 5.46498 5.66529 6.58035 5.94084 11.8413 10.7015 12.5273 7.03948 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 6.84569 5.46269 5.46498 5.66529 6.58035 5.94084 9.59856 5.32694 7.63133 5.47769 numMergedOcc 0
4 mol 16 unq 2 iso 0 dist 6.84569 5.46269 5.46498 6.32814 8.41862 6.73355 10.5516 5.74188 8.71745 8.16785 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 7.51406 6.4487 8.34347 9.20028 9.16962 11.887 16.9245 13.2136 18.9645 8.82012 numMergedOcc 0
6 mol 70 unq 0 iso 0 dist 7.63663 14.2824 9.65964 14.4842 7.92394 6.65811 12.2091 5.22626 10.1773 8.33704 numMergedOcc 0
7 mol 72 unq 0 iso 0 dist 6.68311 8.1124 8.8178 13.1473 6.77912 12.0644 10.1695 5.36766 12.8385 8.624 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 6.68311 15.0607 9.96708 13.1473 6.77912 7.11552 10.1695 5.36766 10.8086 8.624 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 6.10011 8.3449 5.93252 10.0721 5.64598 9.77992 10.1112 7.4697 13.1662 8.70133 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 6.10011 8.3449 5.93252 10.0721 5.64598 9.77992 8.124 5.7113 11.379 4.65521 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 8.124 13.4367 6.19304 10.0721 4.65521 7.41074 10.1112 5.4148 9.96396 8.70133 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 8.124 13.4367 6.19304 10.0721 4.65521 7.41074 6.10011 5.7113 11.4799 5.64598 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 6.56728 11.609 7.47541 8.46482 7.22293 7.98917 13.2962 6.9948 7.97049 9.47876 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 6.56728 13.5384 7.66905 8.46482 7.22293 11.6116 13.2962 6.9948 6.19965 9.47876 numMergedOcc 0
15 mol 85 unq 2 iso 0 dist 6.56728 5.29763 5.73196 8.46482 7.22293 6.47779 13.2962 6.9948 11.2656 9.47876 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 5.70279 5.92158 7.47343 11.8754 7.75343 15.209 11.3277 5.88134 12.0662 6.58204 numMergedOcc 0
17 mol 100 unq 1 iso 0 dist 5.70279 5.85449 6.65086 11.8754 7.75343 10.9608 11.3277 5.88134 9.60661 6.58204 numMergedOcc 0
18 mol 100 unq 2 iso 0 dist 5.70279 7.68675 6.56369 11.8754 7.75343 5.69137 11.3277 5.88134 9.35224 6.58204 numMergedOcc 0
19 mol 100 unq 3 iso 0 dist 5.70279 9.53223 9.30209 11.8754 7.75343 9.21622 11.3277 5.88134 10.5853 6.58204 numMergedOcc 0
20 mol 109 unq 0 iso 0 dist 8.84523 14.7654 8.69985 5.38332 5.87358 9.46098 9.45397 4.98336 13.4572 9.20981 numMergedOcc 0
21 mol 115 unq 0 iso 0 dist 8.97043 11.8721 9.33865 7.266 9.66954 6.09023 12.9647 7.69052 5.83991 8.66155 numMergedOcc 0
22 mol 115 unq 1 iso 0 dist 8.97043 5.19652 6.11741 7.266 9.66954 4.61908 12.9647 7.69052 7.88312 8.66155 numMergedOcc 0
23 mol 115 unq 2 iso 0 dist 6.04412 5.24229 4.99221 5.97684 6.50039 5.60178 11.9574 10.4294 11.8322 6.87861 numMergedOcc 0
24 mol 117 unq 0 iso 0 dist 7.0318 8.12649 9.84395 5.70073 6.62561 11.3679 11.0698 7.22206 16.5575 7.63616 numMergedOcc 0
25 mol 117 unq 1 iso 0 dist 7.0318 5.21051 7.90328 5.70073 6.62561 4.91401 11.0698 7.22206 7.83136 7.63616 numMergedOcc 0
26 mol 119 unq 0 iso 0 dist 8.88255 10.5726 8.73993 10.06 9.63176 10.6679 12.7943 11.6667 16.7981 7.39889 numMergedOcc 0
27 mol 119 unq 1 iso 0 dist 8.88255 10.5726 8.73993 10.06 9.63176 10.6679 16.6272 12.4603 12.6489 7.44174 numMergedOcc 0
28 mol 131 unq 0 iso 0 dist 8.99949 11.3502 6.85062 9.45501 6.91348 6.19596 15.0798 6.63273 7.12972 8.6243 numMergedOcc 0
29 mol 134 unq 0 iso 0 dist 7.27598 6.50005 6.37586 7.26771 5.42582 5.41704 12.3933 5.49782 8.94367 8.79571 numMergedOcc 0
30 mol 134 unq 1 iso 0 dist 7.27598 6.50005 6.37586 7.26771 5.42582 5.41704 5.57904 5.00817 6.49416 8.6355 numMergedOcc 0
31 mol 134 unq 2 iso 0 dist 7.27598 12.0971 9.71307 7.26771 5.42582 6.17103 12.3933 5.49782 9.86662 8.79571 numMergedOcc 0
32 mol 134 unq 3 iso 0 dist 7.27598 12.0971 9.71307 7.26771 5.42582 6.17103 5.57904 5.00817 12.5075 8.6355 numMergedOcc 0
33 mol 134 unq 4 iso 0 dist 5.57904 7.41837 6.54501 7.26771 8.6355 10.1448 12.3933 8.80819 11.9139 8.79571 numMergedOcc 0
34 mol 134 unq 5 iso 0 dist 5.57904 7.41837 6.54501 7.26771 8.6355 10.1448 7.27598 5.00817 9.5126 5.42582 numMergedOcc 0
35 mol 134 unq 6 iso 0 dist 5.57904 6.50005 6.49416 7.26771 8.6355 5.41704 12.3933 8.80819 8.94367 8.79571 numMergedOcc 0
36 mol 134 unq 7 iso 0 dist 5.57904 6.50005 6.49416 7.26771 8.6355 5.41704 7.27598 5.00817 6.37586 5.42582 numMergedOcc 0
37 mol 142 unq 0 iso 0 dist 9.14908 6.3846 5.31024 11.8956 9.07935 9.49653 10.9228 5.32922 9.2313 7.15475 numMergedOcc 0
38 mol 142 unq 1 iso 0 dist 9.14908 4.39297 7.26382 11.8956 9.07935 7.53854 10.9228 5.32922 7.73169 7.15475 numMergedOcc 0
39 mol 155 unq 0 iso 0 dist 5.68636 7.92939 6.43582 6.79302 7.36102 8.27726 13.3396 10.7616 10.7829 7.39644 numMergedOcc 0
40 mol 156 unq 0 iso 0 dist 9.19499 5.66289 7.44554 11.9162 9.36805 6.29785 14.1844 5.76755 10.4649 8.47155 numMergedOcc 0
41 mol 156 unq 1 iso 0 dist 9.19499 5.66289 7.44554 11.9162 9.36805 6.29785 13.581 8.38403 9.83699 7.55203 numMergedOcc 0
42 mol 156 unq 2 iso 0 dist 7.98018 4.68187 9.83699 4.71629 7.55203 6.29785 11.4132 7.60354 10.4649 8.47155 numMergedOcc 0
43 mol 156 unq 3 iso 0 dist 7.98018 4.68187 9.83699 4.71629 7.55203 6.29785 10.0213 8.38403 7.44554 9.36805 numMergedOcc 0
44 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 7.35206 8.17891 6.43754 12.0857 5.22356 8.65997 6.95902 numMergedOcc 0
45 mol 227 unq 1 iso 0 dist 9.60159 6.38287 7.09863 7.35206 8.17891 9.13836 12.0857 5.22356 10.8157 6.95902 numMergedOcc 0
46 mol 238 unq 0 iso 0 dist 6.06422 5.33697 6.57393 5.58989 5.38637 6.20606 9.6312 5.42006 11.101 6.55759 numMergedOcc 0
47 mol 238 unq 1 iso 0 dist 4.87108 7.45873 6.22714 5.61491 7.49471 5.17471 7.64276 5.34096 7.31233 7.19008 numMergedOcc 0
48 mol 238 unq 2 iso 0 dist 7.64276 7.45873 7.31233 13.9044 6.55759 10.4664 11.4704 5.42006 10.0756 5.38637 numMergedOcc 0
49 mol 238 unq 3 iso 0 dist 7.64276 7.45873 7.31233 13.3748 7.02475 11.2717 15.4736 12.9854 12.4767 8.96531 numMergedOcc 0
50 mol 238 unq 4 iso 0 dist 7.64276 7.45873 7.31233 5.61491 7.19008 5.17471 4.87108 5.34096 6.22714 7.49471 numMergedOcc 0
51 mol 238 unq 5 iso 0 dist 6.54455 5.17954 6.22714 6.74728 7.49471 5.17471 10.2875 5.34096 7.31233 7.19008 numMergedOcc 0
52 mol 256 unq 0 iso 0 dist 5.98967 6.64029 8.29103 6.25507 5.24676 4.22352 13.8383 9.92128 11.4761 8.09363 numMergedOcc 0
53 mol 259 unq 0 iso 0 dist 8.57619 5.43184 5.30224 5.4536 8.37865 5.31048 10.367 12.5353 12.0576 7.48005 numMergedOcc 0
54 mol 272 unq 0 iso 0 dist 7.31993 7.33684 9.97651 13.7563 9.09992 10.841 12.3168 5.40809 13.2494 6.73206 numMergedOcc 0
55 mol 272 unq 1 iso 0 dist 7.31993 10.4451 8.46116 13.7563 9.09992 5.63139 12.3168 5.40809 8.33638 6.73206 numMergedOcc 0
