0 mol 15 unq 0 iso 0 dist 5.94245 5.72359 5.33641 9.867 6.03257 10.761 10.8674 5.20798 9.82407 6.23015 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 5.87364 7.89835 10.5097 4.14436 4.74809 7.14069 9.94205 12.7656 3.49913 8.58641 numMergedOcc 0
2 mol 20 unq 1 iso 0 dist 5.87364 7.89835 10.5097 4.14436 4.74809 7.14069 9.08453 10.2902 6.04869 5.99466 numMergedOcc 0
3 mol 20 unq 2 iso 0 dist 5.87364 7.89835 10.5097 9.3714 5.86181 12.4598 9.08453 10.2902 6.04869 9.07213 numMergedOcc 0
4 mol 20 unq 3 iso 0 dist 5.87364 9.94205 12.7656 4.14436 4.74809 8.58641 7.89835 10.5097 3.49913 7.14069 numMergedOcc 0
5 mol 20 unq 4 iso 0 dist 5.87364 9.94205 12.7656 4.14436 4.74809 8.58641 9.08453 10.2902 4.86529 5.99466 numMergedOcc 0
6 mol 20 unq 5 iso 0 dist 5.87364 9.94205 12.7656 9.3714 5.86181 13.3189 9.08453 10.2902 4.86529 9.07213 numMergedOcc 0
7 mol 20 unq 6 iso 0 dist 5.87364 9.08453 10.2902 4.14436 4.74809 5.99466 7.89835 10.5097 6.04869 7.14069 numMergedOcc 0
8 mol 20 unq 7 iso 0 dist 5.87364 9.08453 10.2902 4.14436 4.74809 5.99466 9.94205 12.7656 4.86529 8.58641 numMergedOcc 0
9 mol 21 unq 0 iso 0 dist 6.77108 6.29808 6.29572 4.09637 8.60289 5.63735 7.46409 5.55622 5.3862 6.28263 numMergedOcc 0
10 mol 21 unq 1 iso 0 dist 6.77108 7.46409 5.55622 4.09637 8.60289 6.28263 6.29808 6.29572 5.3862 5.63735 numMergedOcc 0
11 mol 21 unq 2 iso 0 dist 6.77108 8.99131 4.02349 4.09637 8.60289 11.4263 6.29808 6.29572 10.2516 5.63735 numMergedOcc 0
12 mol 21 unq 3 iso 0 dist 6.77108 8.99131 4.02349 4.09637 8.60289 11.4263 7.46409 5.55622 8.34961 6.28263 numMergedOcc 0
13 mol 24 unq 0 iso 0 dist 8.12171 6.77987 9.39212 11.6096 5.95834 13.5069 20.343 12.5545 20.806 9.73647 numMergedOcc 0
14 mol 24 unq 1 iso 0 dist 8.12171 6.77987 9.39212 11.6096 5.95834 13.5069 11.6677 4.08755 10.8103 7.26334 numMergedOcc 0
15 mol 24 unq 2 iso 0 dist 8.12171 6.77987 9.39212 11.6096 5.95834 13.5069 10.3879 6.86136 9.71665 5.78532 numMergedOcc 0
16 mol 24 unq 3 iso 0 dist 8.12171 6.77987 9.39212 10.8208 4.2121 13.4134 11.6677 4.08755 10.8103 6.19899 numMergedOcc 0
17 mol 24 unq 4 iso 0 dist 8.12171 6.77987 9.39212 10.8208 4.2121 13.4134 10.3879 6.86136 9.71665 8.49709 numMergedOcc 0
18 mol 24 unq 5 iso 0 dist 8.12171 6.77987 9.39212 13.3998 6.72323 14.9138 11.6677 4.08755 10.8103 6.61696 numMergedOcc 0
19 mol 24 unq 6 iso 0 dist 8.12171 6.77987 9.39212 13.3998 6.72323 14.9138 13.7266 10.0453 15.4561 5.80953 numMergedOcc 0
20 mol 26 unq 0 iso 0 dist 8.01238 6.84751 5.39199 13.0316 6.56527 9.82888 12.4597 4.76998 9.56136 6.81793 numMergedOcc 0
21 mol 30 unq 0 iso 0 dist 5.22453 8.59794 5.67846 9.855 7.14464 12.422 8.65711 5.0755 8.67642 6.00377 numMergedOcc 0
22 mol 30 unq 1 iso 0 dist 5.22453 8.59794 5.67846 9.855 7.14464 12.422 9.01256 5.39349 6.17472 9.35623 numMergedOcc 0
23 mol 30 unq 2 iso 0 dist 5.22453 8.59794 5.67846 9.855 7.14464 12.422 8.77351 4.02746 3.56854 9.4577 numMergedOcc 0
24 mol 30 unq 3 iso 0 dist 7.27643 9.03928 5.67846 12.4017 7.14464 12.422 11.962 5.0755 8.67642 6.00377 numMergedOcc 0
25 mol 30 unq 4 iso 0 dist 7.27643 9.03928 5.67846 12.4017 7.14464 12.422 11.859 5.39349 6.17472 9.35623 numMergedOcc 0
26 mol 30 unq 5 iso 0 dist 7.27643 9.03928 5.67846 12.4017 7.14464 12.422 9.89655 4.02746 3.56854 9.4577 numMergedOcc 0
27 mol 30 unq 6 iso 0 dist 5.73475 9.16278 5.0755 7.06531 7.14464 6.00377 10.8448 5.39349 3.6458 9.35623 numMergedOcc 0
28 mol 30 unq 7 iso 0 dist 5.73475 9.16278 5.0755 7.06531 7.14464 6.00377 9.28461 4.02746 6.23294 9.4577 numMergedOcc 0
29 mol 30 unq 8 iso 0 dist 7.90081 8.93805 4.02746 8.03355 7.14464 9.4577 10.9038 5.0755 6.23294 6.00377 numMergedOcc 0
30 mol 30 unq 9 iso 0 dist 7.90081 8.93805 4.02746 8.03355 7.14464 9.4577 12.3291 5.39349 4.77197 9.35623 numMergedOcc 0
31 mol 79 unq 0 iso 0 dist 6.9297 8.52697 3.99035 12.6241 9.78384 9.77084 9.9818 4.53016 6.48468 6.5551 numMergedOcc 0
32 mol 79 unq 1 iso 0 dist 6.9297 9.66612 5.45824 12.6241 9.78384 13.4224 8.52697 3.99035 3.78041 9.77084 numMergedOcc 0
33 mol 79 unq 2 iso 0 dist 6.9297 9.66612 5.45824 12.6241 9.78384 13.4224 9.9818 4.53016 9.04349 6.5551 numMergedOcc 0
34 mol 85 unq 0 iso 0 dist 5.99046 6.24296 11.0952 4.32784 9.66222 5.05893 6.83218 12.5181 3.78063 5.71866 numMergedOcc 0
35 mol 85 unq 1 iso 0 dist 5.99046 6.83218 12.5181 4.32784 9.66222 5.71866 6.24296 11.0952 3.78063 5.05893 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 5.87853 9.19831 5.14966 6.15536 7.22883 8.59681 12.2912 14.2282 13.0097 8.12266 numMergedOcc 0
37 mol 181 unq 1 iso 0 dist 5.87853 9.19831 5.14966 6.15536 7.22883 8.59681 12.82 10.273 6.02942 9.43306 numMergedOcc 0
38 mol 184 unq 0 iso 0 dist 9.13228 8.90926 13.4105 13.8418 7.54099 19.1213 10.0821 7.81466 12.8832 7.81263 numMergedOcc 0
39 mol 196 unq 0 iso 0 dist 6.23981 4.48862 5.40367 10.0025 9.62455 8.48879 9.17772 11.2785 7.12401 5.89591 numMergedOcc 0
40 mol 196 unq 1 iso 0 dist 6.23981 4.48862 5.40367 10.0025 9.62455 8.48879 15.2069 17.7382 13.9022 9.72376 numMergedOcc 0
