0 mol 15 unq 0 iso 0 dist 5.94245 5.72359 5.33641 9.867 6.03257 10.761 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 5.87364 7.89835 10.5097 4.14436 4.74809 7.14069 numMergedOcc 0
2 mol 20 unq 1 iso 0 dist 5.87364 7.89835 10.5097 9.3714 5.86181 12.4598 numMergedOcc 0
3 mol 20 unq 2 iso 0 dist 5.87364 9.94205 12.7656 4.14436 4.74809 8.58641 numMergedOcc 0
4 mol 20 unq 3 iso 0 dist 5.87364 9.94205 12.7656 9.3714 5.86181 13.3189 numMergedOcc 0
5 mol 20 unq 4 iso 0 dist 5.87364 9.08453 10.2902 4.14436 4.74809 5.99466 numMergedOcc 0
6 mol 20 unq 5 iso 0 dist 5.87364 9.08453 10.2902 9.3714 5.86181 9.07213 numMergedOcc 0
7 mol 21 unq 0 iso 0 dist 6.77108 6.29808 6.29572 4.09637 8.60289 5.63735 numMergedOcc 0
8 mol 21 unq 1 iso 0 dist 6.77108 7.46409 5.55622 4.09637 8.60289 6.28263 numMergedOcc 0
9 mol 21 unq 2 iso 0 dist 6.77108 8.99131 4.02349 4.09637 8.60289 11.4263 numMergedOcc 0
10 mol 24 unq 0 iso 0 dist 8.12171 6.77987 9.39212 7.1011 8.00171 12.9647 numMergedOcc 0
11 mol 24 unq 1 iso 0 dist 8.12171 6.77987 9.39212 11.6096 5.95834 13.5069 numMergedOcc 0
12 mol 24 unq 2 iso 0 dist 8.12171 6.77987 9.39212 10.8208 4.2121 13.4134 numMergedOcc 0
13 mol 24 unq 3 iso 0 dist 8.12171 6.77987 9.39212 13.3998 6.72323 14.9138 numMergedOcc 0
14 mol 26 unq 0 iso 0 dist 8.01238 6.84751 5.39199 13.0316 6.56527 9.82888 numMergedOcc 0
15 mol 30 unq 0 iso 0 dist 5.22453 8.59794 5.67846 9.855 7.14464 12.422 numMergedOcc 0
16 mol 30 unq 1 iso 0 dist 7.27643 9.03928 5.67846 12.4017 7.14464 12.422 numMergedOcc 0
17 mol 30 unq 2 iso 0 dist 5.73475 9.16278 5.0755 7.06531 7.14464 6.00377 numMergedOcc 0
18 mol 30 unq 3 iso 0 dist 7.90081 8.93805 4.02746 8.03355 7.14464 9.4577 numMergedOcc 0
19 mol 79 unq 0 iso 0 dist 6.9297 8.52697 3.99035 12.6241 9.78384 9.77084 numMergedOcc 0
20 mol 79 unq 1 iso 0 dist 6.9297 9.66612 5.45824 12.6241 9.78384 13.4224 numMergedOcc 0
21 mol 85 unq 0 iso 0 dist 5.99046 6.24296 11.0952 4.32784 9.66222 5.05893 numMergedOcc 0
22 mol 85 unq 1 iso 0 dist 5.99046 6.83218 12.5181 4.32784 9.66222 5.71866 numMergedOcc 0
23 mol 91 unq 0 iso 0 dist 5.45873 8.72835 12.99 11.1564 8.66165 17.6375 numMergedOcc 0
24 mol 91 unq 1 iso 0 dist 4.86532 6.64714 10.6223 5.75219 8.66165 8.77355 numMergedOcc 0
25 mol 181 unq 0 iso 0 dist 5.87853 9.19831 5.14966 6.15536 7.22883 8.59681 numMergedOcc 0
26 mol 181 unq 1 iso 0 dist 8.83185 7.83476 4.98436 13.1684 9.92471 14.2797 numMergedOcc 0
27 mol 184 unq 0 iso 0 dist 9.13228 8.90926 13.4105 13.8418 7.54099 19.1213 numMergedOcc 0
28 mol 196 unq 0 iso 0 dist 6.23981 4.48862 5.40367 7.68725 7.21349 10.2274 numMergedOcc 0
29 mol 196 unq 1 iso 0 dist 6.23981 4.48862 5.40367 10.0025 9.62455 8.48879 numMergedOcc 0
