0 mol 38 unq 0 iso 0 dist 7.98333 9.70612 5.39129 6.46781 5.29179 5.64331 numMergedOcc 0
1 mol 38 unq 0 iso 1 dist 7.98333 6.46781 5.29179 9.70612 5.39129 5.64331 numMergedOcc 0
2 mol 38 unq 1 iso 0 dist 7.98333 9.70612 5.39129 8.19077 9.58231 12.0651 numMergedOcc 0
3 mol 38 unq 1 iso 1 dist 7.98333 8.19077 9.58231 9.70612 5.39129 12.0651 numMergedOcc 0
4 mol 38 unq 1 iso 0 dist 7.98333 6.46781 5.29179 8.19077 9.58231 6.52757 numMergedOcc 0
5 mol 38 unq 1 iso 1 dist 7.98333 8.19077 9.58231 6.46781 5.29179 6.52757 numMergedOcc 0
6 mol 110 unq 0 iso 0 dist 7.67702 7.2461 12.3557 9.26333 11.0242 4.86119 numMergedOcc 0
7 mol 110 unq 0 iso 1 dist 7.67702 9.26333 11.0242 7.2461 12.3557 4.86119 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 8.96779 6.76166 9.54131 7.2977 14.9495 7.93571 numMergedOcc 0
9 mol 134 unq 0 iso 1 dist 8.96779 7.2977 14.9495 6.76166 9.54131 7.93571 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 9.29989 8.75736 15.7012 6.32178 10.0029 7.93571 numMergedOcc 0
11 mol 134 unq 1 iso 1 dist 9.29989 6.32178 10.0029 8.75736 15.7012 7.93571 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 9.59193 9.37459 13.2016 9.0847 14.0443 5.42328 numMergedOcc 0
13 mol 152 unq 0 iso 1 dist 9.59193 9.0847 14.0443 9.37459 13.2016 5.42328 numMergedOcc 0
14 mol 152 unq 1 iso 0 dist 9.59193 9.37459 13.2016 6.00061 7.99896 5.54906 numMergedOcc 0
15 mol 152 unq 1 iso 1 dist 9.59193 6.00061 7.99896 9.37459 13.2016 5.54906 numMergedOcc 0
16 mol 152 unq 2 iso 0 dist 9.59193 9.37459 13.2016 8.33302 4.89042 10.9968 numMergedOcc 0
17 mol 152 unq 2 iso 1 dist 9.59193 8.33302 4.89042 9.37459 13.2016 10.9968 numMergedOcc 0
18 mol 152 unq 1 iso 0 dist 9.59193 9.0847 14.0443 6.00061 7.99896 6.4896 numMergedOcc 0
19 mol 152 unq 1 iso 1 dist 9.59193 6.00061 7.99896 9.0847 14.0443 6.4896 numMergedOcc 0
20 mol 152 unq 2 iso 0 dist 9.59193 9.0847 14.0443 8.33302 4.89042 10.2431 numMergedOcc 0
21 mol 152 unq 2 iso 1 dist 9.59193 8.33302 4.89042 9.0847 14.0443 10.2431 numMergedOcc 0
22 mol 152 unq 2 iso 0 dist 9.59193 6.00061 7.99896 8.33302 4.89042 5.68553 numMergedOcc 0
23 mol 152 unq 2 iso 1 dist 9.59193 8.33302 4.89042 6.00061 7.99896 5.68553 numMergedOcc 0
24 mol 156 unq 0 iso 0 dist 9.38695 6.32876 10.2056 9.25604 13.6345 13.7051 numMergedOcc 0
25 mol 156 unq 0 iso 1 dist 9.38695 9.25604 13.6345 6.32876 10.2056 13.7051 numMergedOcc 0
26 mol 178 unq 0 iso 0 dist 8.71294 5.41229 5.13245 8.57378 9.05082 5.34677 numMergedOcc 0
27 mol 178 unq 0 iso 1 dist 8.71294 8.57378 9.05082 5.41229 5.13245 5.34677 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 9.4588 8.84116 9.45235 8.16369 10.591 7.03008 numMergedOcc 0
29 mol 186 unq 0 iso 1 dist 9.4588 8.16369 10.591 8.84116 9.45235 7.03008 numMergedOcc 0
30 mol 196 unq 0 iso 0 dist 6.51568 4.97115 9.47778 9.45804 9.64101 10.8061 numMergedOcc 0
31 mol 196 unq 0 iso 1 dist 6.51568 9.45804 9.64101 4.97115 9.47778 10.8061 numMergedOcc 0
32 mol 196 unq 1 iso 0 dist 6.51568 4.97115 9.47778 9.8486 9.16184 13.8566 numMergedOcc 0
33 mol 196 unq 1 iso 1 dist 6.51568 9.8486 9.16184 4.97115 9.47778 13.8566 numMergedOcc 0
34 mol 196 unq 2 iso 0 dist 6.51568 4.97115 9.47778 7.23126 12.5715 10.2747 numMergedOcc 0
35 mol 196 unq 2 iso 1 dist 6.51568 7.23126 12.5715 4.97115 9.47778 10.2747 numMergedOcc 0
36 mol 196 unq 1 iso 0 dist 6.51568 9.45804 9.64101 9.8486 9.16184 7.29928 numMergedOcc 0
37 mol 196 unq 1 iso 1 dist 6.51568 9.8486 9.16184 9.45804 9.64101 7.29928 numMergedOcc 0
38 mol 196 unq 2 iso 0 dist 6.51568 9.45804 9.64101 7.23126 12.5715 11.8114 numMergedOcc 0
39 mol 196 unq 2 iso 1 dist 6.51568 7.23126 12.5715 9.45804 9.64101 11.8114 numMergedOcc 0
40 mol 196 unq 2 iso 0 dist 6.51568 9.8486 9.16184 7.23126 12.5715 10.1707 numMergedOcc 0
41 mol 196 unq 2 iso 1 dist 6.51568 7.23126 12.5715 9.8486 9.16184 10.1707 numMergedOcc 0
42 mol 234 unq 0 iso 0 dist 7.37405 6.15754 6.00143 8.9413 9.8423 5.88703 numMergedOcc 0
43 mol 234 unq 0 iso 1 dist 7.37405 8.9413 9.8423 6.15754 6.00143 5.88703 numMergedOcc 0
44 mol 234 unq 1 iso 0 dist 9.5831 4.91961 6.16697 7.14333 16.1011 10.2693 numMergedOcc 0
45 mol 234 unq 1 iso 1 dist 9.5831 7.14333 16.1011 4.91961 6.16697 10.2693 numMergedOcc 0
46 mol 258 unq 0 iso 0 dist 8.8726 5.31858 9.22664 5.71851 13.0489 5.30627 numMergedOcc 0
47 mol 258 unq 0 iso 1 dist 8.8726 5.71851 13.0489 5.31858 9.22664 5.30627 numMergedOcc 0
48 mol 259 unq 0 iso 0 dist 8.87598 5.29682 6.59107 6.20344 11.1778 4.69778 numMergedOcc 0
49 mol 259 unq 0 iso 1 dist 8.87598 6.20344 11.1778 5.29682 6.59107 4.69778 numMergedOcc 0
50 mol 265 unq 0 iso 0 dist 5.14122 8.59825 7.8929 7.83102 5.56416 9.87519 numMergedOcc 0
51 mol 265 unq 0 iso 1 dist 5.14122 7.83102 5.56416 8.59825 7.8929 9.87519 numMergedOcc 0
52 mol 282 unq 0 iso 0 dist 5.72197 7.34596 4.58403 7.12228 5.04235 4.66602 numMergedOcc 0
53 mol 282 unq 0 iso 1 dist 5.72197 7.12228 5.04235 7.34596 4.58403 4.66602 numMergedOcc 0
