0 mol 87 unq 0 iso 0 dist 9.99609 12.809 9.90256 8.37496 7.57471 6.69898 numMergedOcc 0
1 mol 87 unq 0 iso 1 dist 9.99609 8.37496 7.57471 12.809 9.90256 6.69898 numMergedOcc 0
2 mol 103 unq 0 iso 0 dist 7.68908 6.35861 7.66418 5.56761 8.078 6.73664 numMergedOcc 0
3 mol 103 unq 0 iso 1 dist 7.68908 5.56761 8.078 6.35861 7.66418 6.73664 numMergedOcc 0
4 mol 105 unq 0 iso 0 dist 7.62091 6.35865 6.11833 3.51216 7.12201 4.40288 numMergedOcc 0
5 mol 105 unq 0 iso 1 dist 7.62091 3.51216 7.12201 6.35865 6.11833 4.40288 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 9.93751 10.5552 9.3757 11.4776 9.42014 10.5302 numMergedOcc 0
7 mol 112 unq 0 iso 1 dist 9.93751 11.4776 9.42014 10.5552 9.3757 10.5302 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 8.98949 12.1136 6.08846 15.0398 9.19171 7.88461 numMergedOcc 0
9 mol 131 unq 0 iso 1 dist 8.98949 15.0398 9.19171 12.1136 6.08846 7.88461 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 6.29879 6.92975 5.79195 6.53637 9.2759 12.1681 numMergedOcc 0
11 mol 133 unq 0 iso 1 dist 6.29879 6.53637 9.2759 6.92975 5.79195 12.1681 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 6.29879 6.92975 5.79195 11.1722 8.76088 9.34083 numMergedOcc 0
13 mol 133 unq 1 iso 1 dist 6.29879 11.1722 8.76088 6.92975 5.79195 9.34083 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 6.29879 6.53637 9.2759 11.1722 8.76088 11.2107 numMergedOcc 0
15 mol 133 unq 1 iso 1 dist 6.29879 11.1722 8.76088 6.53637 9.2759 11.2107 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 7.52692 4.89826 6.62514 5.5367 6.20044 8.63339 numMergedOcc 0
17 mol 204 unq 0 iso 1 dist 7.52692 5.5367 6.20044 4.89826 6.62514 8.63339 numMergedOcc 0
18 mol 204 unq 1 iso 0 dist 7.52692 4.89826 6.62514 9.88124 9.41996 7.41625 numMergedOcc 0
19 mol 204 unq 1 iso 1 dist 7.52692 9.88124 9.41996 4.89826 6.62514 7.41625 numMergedOcc 0
20 mol 204 unq 1 iso 0 dist 7.52692 5.5367 6.20044 9.88124 9.41996 11.09 numMergedOcc 0
21 mol 204 unq 1 iso 1 dist 7.52692 9.88124 9.41996 5.5367 6.20044 11.09 numMergedOcc 0
22 mol 204 unq 2 iso 0 dist 9.7707 11.9869 6.62514 9.42629 6.20044 8.63339 numMergedOcc 0
23 mol 204 unq 2 iso 1 dist 9.7707 9.42629 6.20044 11.9869 6.62514 8.63339 numMergedOcc 0
24 mol 204 unq 3 iso 0 dist 9.7707 11.9869 6.62514 7.50076 9.41996 7.41625 numMergedOcc 0
25 mol 204 unq 3 iso 1 dist 9.7707 7.50076 9.41996 11.9869 6.62514 7.41625 numMergedOcc 0
26 mol 204 unq 3 iso 0 dist 9.7707 9.42629 6.20044 7.50076 9.41996 11.09 numMergedOcc 0
27 mol 204 unq 3 iso 1 dist 9.7707 7.50076 9.41996 9.42629 6.20044 11.09 numMergedOcc 0
28 mol 211 unq 0 iso 0 dist 8.74044 6.11238 8.10779 7.33323 5.6998 5.59365 numMergedOcc 0
29 mol 211 unq 0 iso 1 dist 8.74044 7.33323 5.6998 6.11238 8.10779 5.59365 numMergedOcc 0
30 mol 212 unq 0 iso 0 dist 8.31372 5.30451 7.6819 4.71691 6.36102 5.4231 numMergedOcc 0
31 mol 212 unq 0 iso 1 dist 8.31372 4.71691 6.36102 5.30451 7.6819 5.4231 numMergedOcc 0
32 mol 214 unq 0 iso 0 dist 7.58632 4.66603 7.82201 5.53796 5.86911 8.94237 numMergedOcc 0
33 mol 214 unq 0 iso 1 dist 7.58632 5.53796 5.86911 4.66603 7.82201 8.94237 numMergedOcc 0
34 mol 236 unq 0 iso 0 dist 8.24184 13.2154 8.63249 6.63806 7.74348 15.386 numMergedOcc 0
35 mol 236 unq 0 iso 1 dist 8.24184 6.63806 7.74348 13.2154 8.63249 15.386 numMergedOcc 0
36 mol 272 unq 0 iso 0 dist 8.19595 9.49668 6.69245 4.36153 7.90763 6.08002 numMergedOcc 0
37 mol 272 unq 0 iso 1 dist 8.19595 4.36153 7.90763 9.49668 6.69245 6.08002 numMergedOcc 0
38 mol 272 unq 1 iso 0 dist 8.56255 13.1454 6.69245 13.7982 7.90763 6.08002 numMergedOcc 0
39 mol 272 unq 1 iso 1 dist 8.56255 13.7982 7.90763 13.1454 6.69245 6.08002 numMergedOcc 0
