0 mol 34 unq 0 iso 0 dist 9.33027 4.79 8.2946 7.52842 6.15801 6.51847 numMergedOcc 0
1 mol 34 unq 0 iso 1 dist 8.2946 4.79 9.33027 6.51847 6.15801 7.52842 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 7.32707 4.79 9.25346 7.52842 9.63403 6.51847 numMergedOcc 0
3 mol 34 unq 1 iso 1 dist 9.25346 4.79 7.32707 6.51847 9.63403 7.52842 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 9.62637 5.79982 6.01423 7.91752 9.32898 5.73902 numMergedOcc 0
5 mol 45 unq 0 iso 1 dist 6.01423 5.79982 9.62637 5.73902 9.32898 7.91752 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 7.6481 13.9773 9.11258 5.36808 6.62229 9.17656 numMergedOcc 0
7 mol 58 unq 0 iso 1 dist 9.11258 13.9773 7.6481 9.17656 6.62229 5.36808 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 8.809 7.68699 5.79343 7.70536 9.17466 4.69847 numMergedOcc 0
9 mol 114 unq 0 iso 1 dist 5.79343 7.68699 8.809 4.69847 9.17466 7.70536 numMergedOcc 0
10 mol 114 unq 1 iso 0 dist 9.83981 5.74742 6.13559 8.36453 9.35942 6.22315 numMergedOcc 0
11 mol 114 unq 1 iso 1 dist 6.13559 5.74742 9.83981 6.22315 9.35942 8.36453 numMergedOcc 0
12 mol 114 unq 2 iso 0 dist 9.83981 5.74742 6.13559 17.1979 7.42482 13.0539 numMergedOcc 0
13 mol 114 unq 2 iso 1 dist 6.13559 5.74742 9.83981 13.0539 7.42482 17.1979 numMergedOcc 0
14 mol 114 unq 3 iso 0 dist 9.83981 12.0339 6.51395 8.36453 9.35942 6.18257 numMergedOcc 0
15 mol 114 unq 3 iso 1 dist 6.51395 12.0339 9.83981 6.18257 9.35942 8.36453 numMergedOcc 0
16 mol 114 unq 4 iso 0 dist 9.83981 12.0339 6.51395 17.1979 7.42482 10.4498 numMergedOcc 0
17 mol 114 unq 4 iso 1 dist 6.51395 12.0339 9.83981 10.4498 7.42482 17.1979 numMergedOcc 0
18 mol 114 unq 3 iso 0 dist 6.13559 7.50948 6.51395 6.22315 9.35942 6.18257 numMergedOcc 0
19 mol 114 unq 3 iso 1 dist 6.51395 7.50948 6.13559 6.18257 9.35942 6.22315 numMergedOcc 0
20 mol 114 unq 4 iso 0 dist 6.13559 7.50948 6.51395 13.0539 7.42482 10.4498 numMergedOcc 0
21 mol 114 unq 4 iso 1 dist 6.51395 7.50948 6.13559 10.4498 7.42482 13.0539 numMergedOcc 0
22 mol 116 unq 0 iso 0 dist 7.35992 6.36898 6.49383 7.50935 8.79367 12.4955 numMergedOcc 0
23 mol 116 unq 0 iso 1 dist 6.49383 6.36898 7.35992 12.4955 8.79367 7.50935 numMergedOcc 0
24 mol 134 unq 0 iso 0 dist 8.55616 9.57049 8.73604 8.05714 9.30061 9.65798 numMergedOcc 0
25 mol 134 unq 0 iso 1 dist 8.73604 9.57049 8.55616 9.65798 9.30061 8.05714 numMergedOcc 0
26 mol 141 unq 0 iso 0 dist 4.25566 7.41037 6.63171 11.1956 9.78667 14.6024 numMergedOcc 0
27 mol 141 unq 0 iso 1 dist 6.63171 7.41037 4.25566 14.6024 9.78667 11.1956 numMergedOcc 0
28 mol 141 unq 1 iso 0 dist 4.25566 7.41037 6.63171 9.65952 8.47026 11.3036 numMergedOcc 0
29 mol 141 unq 1 iso 1 dist 6.63171 7.41037 4.25566 11.3036 8.47026 9.65952 numMergedOcc 0
30 mol 141 unq 2 iso 0 dist 4.25566 6.97263 7.67273 11.1956 9.78667 11.2383 numMergedOcc 0
31 mol 141 unq 2 iso 1 dist 7.67273 6.97263 4.25566 11.2383 9.78667 11.1956 numMergedOcc 0
32 mol 141 unq 3 iso 0 dist 4.25566 6.97263 7.67273 9.65952 8.47026 7.19116 numMergedOcc 0
33 mol 141 unq 3 iso 1 dist 7.67273 6.97263 4.25566 7.19116 8.47026 9.65952 numMergedOcc 0
34 mol 141 unq 2 iso 0 dist 6.63171 6.23867 7.67273 14.6024 9.78667 11.2383 numMergedOcc 0
35 mol 141 unq 2 iso 1 dist 7.67273 6.23867 6.63171 11.2383 9.78667 14.6024 numMergedOcc 0
36 mol 141 unq 3 iso 0 dist 6.63171 6.23867 7.67273 11.3036 8.47026 7.19116 numMergedOcc 0
37 mol 141 unq 3 iso 1 dist 7.67273 6.23867 6.63171 7.19116 8.47026 11.3036 numMergedOcc 0
38 mol 175 unq 0 iso 0 dist 8.99988 6.79946 6.99693 6.05776 5.60528 5.95187 numMergedOcc 0
39 mol 175 unq 0 iso 1 dist 6.99693 6.79946 8.99988 5.95187 5.60528 6.05776 numMergedOcc 0
40 mol 175 unq 1 iso 0 dist 8.99988 6.79946 6.99693 5.85047 5.5995 5.46129 numMergedOcc 0
41 mol 175 unq 1 iso 1 dist 6.99693 6.79946 8.99988 5.46129 5.5995 5.85047 numMergedOcc 0
42 mol 234 unq 0 iso 0 dist 9.25517 9.51353 7.22019 6.56378 6.00582 5.3976 numMergedOcc 0
43 mol 234 unq 0 iso 1 dist 7.22019 9.51353 9.25517 5.3976 6.00582 6.56378 numMergedOcc 0
44 mol 243 unq 0 iso 0 dist 7.12785 8.07376 6.66959 8.16841 7.44706 6.03041 numMergedOcc 0
45 mol 243 unq 0 iso 1 dist 6.66959 8.07376 7.12785 6.03041 7.44706 8.16841 numMergedOcc 0
