0 mol 54 unq 0 iso 0 dist 8.41365 5.01159 6.30987 10.5929 5.06052 6.14538 5.65405 5.02241 4.29856 6.83299 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 9.33168 3.85135 5.84875 10.2288 6.28202 7.16773 5.94455 11.465 6.63327 8.66265 numMergedOcc 0
2 mol 56 unq 1 iso 0 dist 7.93388 4.936 5.84875 8.96238 6.28202 7.16773 7.43826 11.465 6.63327 8.66265 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 7.37607 9.31682 9.2902 10.4837 5.33688 6.73347 10.6897 6.71911 9.64444 7.71095 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 7.37607 9.31682 9.2902 10.4837 5.33688 6.73347 13.6159 12.8699 4.36133 8.84665 numMergedOcc 0
5 mol 59 unq 2 iso 0 dist 7.37607 9.31682 9.2902 10.4837 5.33688 6.73347 14.1931 11.6249 6.66692 8.25513 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 7.36397 4.665 6.72712 11.1915 9.32974 6.95572 11.1785 10.6071 9.50382 7.4729 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 7.36397 4.665 6.72712 11.1915 9.32974 6.95572 10.8489 13.3102 7.56363 6.82344 numMergedOcc 0
8 mol 92 unq 2 iso 0 dist 6.58062 4.665 5.39745 11.1915 6.99832 6.95572 11.1785 5.81965 9.50382 7.4729 numMergedOcc 0
9 mol 92 unq 3 iso 0 dist 6.58062 4.665 5.39745 11.1915 6.99832 6.95572 10.8489 9.70512 7.56363 6.82344 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 7.81181 7.62766 5.79343 13.6464 8.88748 6.84011 11.4218 11.5084 7.436 7.5732 numMergedOcc 0
11 mol 156 unq 0 iso 0 dist 9.22228 10.5549 7.30946 13.7939 5.07967 7.30357 17.3407 10.7757 10.4977 8.34702 numMergedOcc 0
12 mol 156 unq 1 iso 0 dist 9.22228 10.5549 7.30946 13.7939 5.07967 7.30357 21.2983 13.5803 12.3086 9.06726 numMergedOcc 0
13 mol 156 unq 2 iso 0 dist 9.22228 10.5549 7.30946 13.7939 5.07967 7.30357 17.705 11.7927 7.79535 8.33171 numMergedOcc 0
14 mol 156 unq 3 iso 0 dist 9.40225 5.02458 5.81122 9.19499 7.29758 9.44367 5.66289 6.27641 5.4555 7.44554 numMergedOcc 0
15 mol 156 unq 4 iso 0 dist 9.40225 5.02458 5.81122 7.11647 8.67156 7.90267 5.59399 10.9818 6.03934 7.66148 numMergedOcc 0
16 mol 156 unq 5 iso 0 dist 9.40225 5.02458 5.81122 7.11647 8.67156 7.90267 5.66289 6.27641 5.4555 8.94056 numMergedOcc 0
17 mol 156 unq 6 iso 0 dist 7.49255 3.98813 5.81122 12.0499 7.29758 9.44367 5.69897 6.27641 5.4555 7.44554 numMergedOcc 0
18 mol 156 unq 7 iso 0 dist 7.49255 3.98813 5.81122 11.6098 8.67156 7.90267 8.98421 10.9818 6.03934 7.66148 numMergedOcc 0
19 mol 156 unq 8 iso 0 dist 7.49255 3.98813 5.81122 11.6098 8.67156 7.90267 5.69897 6.27641 5.4555 8.94056 numMergedOcc 0
20 mol 156 unq 9 iso 0 dist 4.94012 6.29145 5.81122 10.0213 7.29758 9.44367 4.68187 6.27641 5.4555 7.44554 numMergedOcc 0
21 mol 156 unq 10 iso 0 dist 4.94012 6.29145 5.81122 11.8093 8.67156 7.90267 12.2852 10.9818 6.03934 7.66148 numMergedOcc 0
22 mol 156 unq 11 iso 0 dist 4.94012 6.29145 5.81122 11.8093 8.67156 7.90267 4.68187 6.27641 5.4555 8.94056 numMergedOcc 0
23 mol 181 unq 0 iso 0 dist 7.88787 7.23046 5.95304 14.2552 8.25067 8.90963 15.5097 13.2702 8.91338 9.1374 numMergedOcc 0
24 mol 181 unq 1 iso 0 dist 7.88787 7.23046 5.95304 14.2552 8.25067 8.90963 13.7565 10.8351 9.81073 5.98885 numMergedOcc 0
25 mol 181 unq 2 iso 0 dist 7.88787 7.23046 5.95304 14.2552 8.25067 8.90963 10.2898 9.6668 9.34211 9.15386 numMergedOcc 0
26 mol 181 unq 3 iso 0 dist 9.30874 6.56225 9.06217 8.90247 6.25083 6.2479 5.114 6.94688 6.6251 9.1374 numMergedOcc 0
27 mol 181 unq 4 iso 0 dist 9.30874 6.56225 9.06217 8.90247 6.25083 6.2479 14.0828 12.1309 7.81713 8.03334 numMergedOcc 0
28 mol 181 unq 5 iso 0 dist 9.30874 6.56225 9.06217 10.3907 5.86342 7.99195 5.114 6.94688 6.6251 5.98885 numMergedOcc 0
29 mol 181 unq 6 iso 0 dist 9.30874 6.56225 9.06217 10.3907 5.86342 7.99195 13.526 14.4632 10.09 9.09537 numMergedOcc 0
30 mol 181 unq 7 iso 0 dist 5.54873 6.56225 7.13252 8.90247 4.77278 6.2479 5.114 6.71012 6.6251 9.1374 numMergedOcc 0
31 mol 181 unq 8 iso 0 dist 5.54873 6.56225 7.13252 8.90247 4.77278 6.2479 14.0828 12.2058 7.81713 8.03334 numMergedOcc 0
32 mol 181 unq 9 iso 0 dist 5.54873 6.56225 7.13252 10.3907 9.14057 7.99195 5.114 6.71012 6.6251 5.98885 numMergedOcc 0
33 mol 181 unq 10 iso 0 dist 5.54873 6.56225 7.13252 10.3907 9.14057 7.99195 13.526 15.4777 10.09 9.09537 numMergedOcc 0
34 mol 181 unq 11 iso 0 dist 9.7281 12.6646 8.9289 13.7928 13.3389 5.9176 7.07865 7.37327 5.63555 7.63312 numMergedOcc 0
35 mol 224 unq 0 iso 0 dist 6.04427 12.3328 8.08737 10.6043 7.67202 9.51597 14.0352 11.1518 4.98993 9.40098 numMergedOcc 0
36 mol 224 unq 1 iso 0 dist 6.04427 12.3328 8.08737 10.6043 7.67202 9.51597 13.1803 12.6391 12.4692 6.61986 numMergedOcc 0
37 mol 224 unq 2 iso 0 dist 6.33797 5.76647 8.08737 12.0013 7.67202 9.51597 10.5383 11.1518 4.98993 9.40098 numMergedOcc 0
38 mol 224 unq 3 iso 0 dist 6.33797 5.76647 8.08737 12.0013 7.67202 9.51597 16.3228 12.6391 12.4692 6.61986 numMergedOcc 0
39 mol 232 unq 0 iso 0 dist 6.37335 7.46856 7.17337 13.0468 13.5597 9.40808 12.2002 11.4727 4.9377 8.27212 numMergedOcc 0
40 mol 232 unq 1 iso 0 dist 8.66693 5.53537 7.17337 13.6896 13.5597 9.40808 6.64614 11.4727 4.9377 8.27212 numMergedOcc 0
41 mol 238 unq 0 iso 0 dist 7.90344 5.11183 8.90076 12.6253 11.0401 9.24557 17.4928 14.1514 14.7883 5.72887 numMergedOcc 0
42 mol 238 unq 1 iso 0 dist 9.83326 15.2051 8.09718 21.27 11.9142 9.24557 25.6942 16.5748 14.7883 5.72887 numMergedOcc 0
43 mol 238 unq 2 iso 0 dist 6.19514 13.5391 8.09718 15.8206 11.9142 9.24557 19.1538 16.5748 14.7883 5.72887 numMergedOcc 0
