0 mol 41 unq 0 iso 0 dist 8.91418 10.7739 6.0961 6.78868 6.73801 12.0084 numMergedOcc 0
1 mol 41 unq 0 iso 1 dist 6.0961 10.7739 8.91418 12.0084 6.73801 6.78868 numMergedOcc 0
2 mol 41 unq 1 iso 0 dist 8.91418 10.7739 6.0961 7.10946 6.42834 4.08339 numMergedOcc 0
3 mol 41 unq 1 iso 1 dist 6.0961 10.7739 8.91418 4.08339 6.42834 7.10946 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 8.17564 3.8971 7.19213 5.87788 9.43355 5.46359 numMergedOcc 0
5 mol 59 unq 0 iso 1 dist 7.19213 3.8971 8.17564 5.46359 9.43355 5.87788 numMergedOcc 0
6 mol 59 unq 1 iso 0 dist 8.17564 3.8971 7.19213 15.4376 7.9327 13.0982 numMergedOcc 0
7 mol 59 unq 1 iso 1 dist 7.19213 3.8971 8.17564 13.0982 7.9327 15.4376 numMergedOcc 0
8 mol 59 unq 2 iso 0 dist 8.17564 14.4502 6.94351 5.87788 9.43355 16.3671 numMergedOcc 0
9 mol 59 unq 2 iso 1 dist 6.94351 14.4502 8.17564 16.3671 9.43355 5.87788 numMergedOcc 0
10 mol 59 unq 3 iso 0 dist 8.17564 14.4502 6.94351 15.4376 7.9327 5.83238 numMergedOcc 0
11 mol 59 unq 3 iso 1 dist 6.94351 14.4502 8.17564 5.83238 7.9327 15.4376 numMergedOcc 0
12 mol 59 unq 2 iso 0 dist 7.19213 13.5267 6.94351 5.46359 9.43355 16.3671 numMergedOcc 0
13 mol 59 unq 2 iso 1 dist 6.94351 13.5267 7.19213 16.3671 9.43355 5.46359 numMergedOcc 0
14 mol 59 unq 3 iso 0 dist 7.19213 13.5267 6.94351 13.0982 7.9327 5.83238 numMergedOcc 0
15 mol 59 unq 3 iso 1 dist 6.94351 13.5267 7.19213 5.83238 7.9327 13.0982 numMergedOcc 0
16 mol 67 unq 0 iso 0 dist 5.70192 5.32316 7.65646 4.31746 9.0008 7.58981 numMergedOcc 0
17 mol 67 unq 0 iso 1 dist 7.65646 5.32316 5.70192 7.58981 9.0008 4.31746 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 8.95838 15.0412 9.47892 12.2067 7.26955 4.09788 numMergedOcc 0
19 mol 119 unq 0 iso 1 dist 9.47892 15.0412 8.95838 4.09788 7.26955 12.2067 numMergedOcc 0
20 mol 143 unq 0 iso 0 dist 9.43335 15.2469 9.9492 14.3207 6.46089 6.3462 numMergedOcc 0
21 mol 143 unq 0 iso 1 dist 9.9492 15.2469 9.43335 6.3462 6.46089 14.3207 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 8.45395 4.09371 9.15368 12.0718 9.06217 13.7282 numMergedOcc 0
23 mol 181 unq 0 iso 1 dist 9.15368 4.09371 8.45395 13.7282 9.06217 12.0718 numMergedOcc 0
24 mol 181 unq 1 iso 0 dist 8.45395 7.37799 9.20477 12.0718 9.06217 10.6331 numMergedOcc 0
25 mol 181 unq 1 iso 1 dist 9.20477 7.37799 8.45395 10.6331 9.06217 12.0718 numMergedOcc 0
26 mol 181 unq 1 iso 0 dist 9.15368 5.54834 9.20477 13.7282 9.06217 10.6331 numMergedOcc 0
27 mol 181 unq 1 iso 1 dist 9.20477 5.54834 9.15368 10.6331 9.06217 13.7282 numMergedOcc 0
28 mol 181 unq 2 iso 0 dist 5.41368 4.09371 7.96182 12.0718 7.13252 13.7282 numMergedOcc 0
29 mol 181 unq 2 iso 1 dist 7.96182 4.09371 5.41368 13.7282 7.13252 12.0718 numMergedOcc 0
30 mol 181 unq 3 iso 0 dist 5.41368 7.37799 7.90237 12.0718 7.13252 10.6331 numMergedOcc 0
31 mol 181 unq 3 iso 1 dist 7.90237 7.37799 5.41368 10.6331 7.13252 12.0718 numMergedOcc 0
32 mol 181 unq 3 iso 0 dist 7.96182 5.54834 7.90237 13.7282 7.13252 10.6331 numMergedOcc 0
33 mol 181 unq 3 iso 1 dist 7.90237 5.54834 7.96182 10.6331 7.13252 13.7282 numMergedOcc 0
34 mol 181 unq 4 iso 0 dist 6.17129 6.7732 5.83596 6.78739 7.05653 11.3693 numMergedOcc 0
35 mol 181 unq 4 iso 1 dist 5.83596 6.7732 6.17129 11.3693 7.05653 6.78739 numMergedOcc 0
36 mol 232 unq 0 iso 0 dist 7.79085 4.19978 6.48753 9.77057 7.10413 9.30551 numMergedOcc 0
37 mol 232 unq 0 iso 1 dist 6.48753 4.19978 7.79085 9.30551 7.10413 9.77057 numMergedOcc 0
38 mol 232 unq 1 iso 0 dist 7.79085 9.33666 7.83802 9.77057 7.10413 10.6834 numMergedOcc 0
39 mol 232 unq 1 iso 1 dist 7.83802 9.33666 7.79085 10.6834 7.10413 9.77057 numMergedOcc 0
40 mol 232 unq 1 iso 0 dist 6.48753 5.14994 7.83802 9.30551 7.10413 10.6834 numMergedOcc 0
41 mol 232 unq 1 iso 1 dist 7.83802 5.14994 6.48753 10.6834 7.10413 9.30551 numMergedOcc 0
42 mol 243 unq 0 iso 0 dist 9.65322 9.08852 6.9453 3.87679 6.66959 5.40441 numMergedOcc 0
43 mol 243 unq 0 iso 1 dist 6.9453 9.08852 9.65322 5.40441 6.66959 3.87679 numMergedOcc 0
44 mol 282 unq 0 iso 0 dist 9.20119 12.2772 8.96997 9.11162 6.8972 10.842 numMergedOcc 0
45 mol 282 unq 0 iso 1 dist 8.96997 12.2772 9.20119 10.842 6.8972 9.11162 numMergedOcc 0
46 mol 294 unq 0 iso 0 dist 7.12793 6.19256 6.21208 4.57255 8.87606 4.44552 numMergedOcc 0
47 mol 294 unq 0 iso 1 dist 6.21208 6.19256 7.12793 4.44552 8.87606 4.57255 numMergedOcc 0
