0 mol 32 unq 0 iso 0 dist 6.76514 5.31805 4.62858 12.1802 6.68431 7.99969 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 7.62709 7.29857 5.55096 13.0007 5.54436 9.53378 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 8.41365 5.01159 6.30987 10.5929 5.06052 6.14538 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 9.33168 3.85135 5.84875 10.2288 6.28202 7.16773 numMergedOcc 0
4 mol 56 unq 1 iso 0 dist 7.93388 4.936 5.84875 8.96238 6.28202 7.16773 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 7.37607 9.31682 9.2902 10.4837 5.33688 6.73347 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 7.36397 4.665 6.72712 11.1915 9.32974 6.95572 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 6.58062 5.47738 7.1539 5.90776 9.97281 5.37007 numMergedOcc 0
8 mol 92 unq 2 iso 0 dist 6.58062 4.665 5.39745 11.1915 6.99832 6.95572 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 7.81181 7.62766 5.79343 13.6464 8.88748 6.84011 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 8.28362 6.3353 6.75145 12.2226 5.37476 9.14926 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 5.60137 6.3353 8.1856 12.2226 10.3289 9.14926 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 8.10681 6.69013 4.25566 9.92487 10.5489 8.10291 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 4.69823 6.69013 6.63171 9.92487 6.71391 8.10291 numMergedOcc 0
14 mol 156 unq 0 iso 0 dist 9.22228 10.5549 7.30946 13.7939 5.07967 7.30357 numMergedOcc 0
15 mol 156 unq 1 iso 0 dist 9.40225 5.02458 5.81122 9.19499 7.29758 9.44367 numMergedOcc 0
16 mol 156 unq 2 iso 0 dist 9.40225 5.02458 5.81122 7.11647 8.67156 7.90267 numMergedOcc 0
17 mol 156 unq 3 iso 0 dist 7.49255 3.98813 5.81122 12.0499 7.29758 9.44367 numMergedOcc 0
18 mol 156 unq 4 iso 0 dist 7.49255 3.98813 5.81122 11.6098 8.67156 7.90267 numMergedOcc 0
19 mol 156 unq 5 iso 0 dist 4.94012 6.29145 5.81122 10.0213 7.29758 9.44367 numMergedOcc 0
20 mol 156 unq 6 iso 0 dist 4.94012 6.29145 5.81122 11.8093 8.67156 7.90267 numMergedOcc 0
21 mol 159 unq 0 iso 0 dist 6.68441 4.02361 6.72852 7.47975 6.49376 9.17787 numMergedOcc 0
22 mol 159 unq 1 iso 0 dist 6.68441 9.90351 8.52082 7.47975 6.49376 8.4858 numMergedOcc 0
23 mol 181 unq 0 iso 0 dist 7.88787 7.23046 5.95304 14.2552 8.25067 8.90963 numMergedOcc 0
24 mol 181 unq 1 iso 0 dist 9.30874 6.56225 9.06217 8.90247 6.25083 6.2479 numMergedOcc 0
25 mol 181 unq 2 iso 0 dist 9.30874 6.56225 9.06217 6.58792 10.5753 6.22122 numMergedOcc 0
26 mol 181 unq 3 iso 0 dist 9.30874 6.56225 9.06217 10.3907 5.86342 7.99195 numMergedOcc 0
27 mol 181 unq 4 iso 0 dist 5.54873 6.56225 7.13252 8.90247 4.77278 6.2479 numMergedOcc 0
28 mol 181 unq 5 iso 0 dist 5.54873 6.56225 7.13252 6.58792 5.88819 6.22122 numMergedOcc 0
29 mol 181 unq 6 iso 0 dist 5.54873 6.56225 7.13252 10.3907 9.14057 7.99195 numMergedOcc 0
30 mol 181 unq 7 iso 0 dist 9.7281 12.6646 8.9289 13.7928 13.3389 5.9176 numMergedOcc 0
31 mol 188 unq 0 iso 0 dist 8.61217 9.80942 9.33696 15.7955 12.0548 8.10214 numMergedOcc 0
32 mol 188 unq 1 iso 0 dist 9.56587 17.4486 9.33696 20.1361 12.0548 8.10214 numMergedOcc 0
33 mol 224 unq 0 iso 0 dist 6.04427 12.3328 8.08737 10.6043 7.67202 9.51597 numMergedOcc 0
34 mol 224 unq 1 iso 0 dist 6.33797 5.76647 8.08737 12.0013 7.67202 9.51597 numMergedOcc 0
35 mol 232 unq 0 iso 0 dist 6.37335 7.46856 7.17337 8.89211 8.78722 8.50102 numMergedOcc 0
36 mol 232 unq 1 iso 0 dist 6.37335 7.46856 7.17337 13.0468 13.5597 9.40808 numMergedOcc 0
37 mol 232 unq 2 iso 0 dist 8.66693 5.53537 7.17337 12.9697 8.78722 8.50102 numMergedOcc 0
38 mol 232 unq 3 iso 0 dist 8.66693 5.53537 7.17337 13.6896 13.5597 9.40808 numMergedOcc 0
39 mol 238 unq 0 iso 0 dist 7.90344 5.11183 8.90076 5.67917 5.11565 7.57812 numMergedOcc 0
40 mol 238 unq 1 iso 0 dist 7.90344 5.11183 8.90076 12.6253 11.0401 9.24557 numMergedOcc 0
41 mol 238 unq 2 iso 0 dist 7.90344 6.32646 6.62002 5.67917 5.11565 8.69104 numMergedOcc 0
42 mol 238 unq 3 iso 0 dist 9.83326 15.2051 8.09718 18.9705 13.171 7.57812 numMergedOcc 0
43 mol 238 unq 4 iso 0 dist 9.83326 15.2051 8.09718 21.27 11.9142 9.24557 numMergedOcc 0
44 mol 238 unq 5 iso 0 dist 9.83326 10.3525 6.73446 18.9705 13.171 8.69104 numMergedOcc 0
45 mol 238 unq 6 iso 0 dist 6.19514 13.5391 8.09718 16.4916 13.171 7.57812 numMergedOcc 0
46 mol 238 unq 7 iso 0 dist 6.19514 13.5391 8.09718 15.8206 11.9142 9.24557 numMergedOcc 0
47 mol 238 unq 8 iso 0 dist 6.19514 9.75263 6.73446 16.4916 13.171 8.69104 numMergedOcc 0
48 mol 279 unq 0 iso 0 dist 6.10834 4.99186 9.24367 5.70546 5.34838 7.23721 numMergedOcc 0
49 mol 279 unq 1 iso 0 dist 8.24233 8.17282 9.24367 10.974 5.34838 7.23721 numMergedOcc 0
50 mol 279 unq 2 iso 0 dist 8.50767 14.2536 9.24367 13.4564 5.34838 7.23721 numMergedOcc 0
