0 mol 27 unq 0 iso 0 dist 8.3189 5.7372 5.02965 8.69235 6.32509 4.60687 numMergedOcc 0
1 mol 27 unq 0 iso 1 dist 5.02965 5.7372 8.3189 4.60687 6.32509 8.69235 numMergedOcc 0
2 mol 27 unq 1 iso 0 dist 8.3189 4.59871 7.49305 8.69235 6.32509 5.07229 numMergedOcc 0
3 mol 27 unq 1 iso 1 dist 7.49305 4.59871 8.3189 5.07229 6.32509 8.69235 numMergedOcc 0
4 mol 27 unq 1 iso 0 dist 5.02965 4.9754 7.49305 4.60687 6.32509 5.07229 numMergedOcc 0
5 mol 27 unq 1 iso 1 dist 7.49305 4.9754 5.02965 5.07229 6.32509 4.60687 numMergedOcc 0
6 mol 44 unq 0 iso 0 dist 9.71891 6.18128 7.55822 4.68435 6.24688 4.0144 numMergedOcc 0
7 mol 44 unq 0 iso 1 dist 7.55822 6.18128 9.71891 4.0144 6.24688 4.68435 numMergedOcc 0
8 mol 56 unq 0 iso 0 dist 7.11102 4.49719 8.48054 4.92918 7.99916 3.98878 numMergedOcc 0
9 mol 56 unq 0 iso 1 dist 8.48054 4.49719 7.11102 3.98878 7.99916 4.92918 numMergedOcc 0
10 mol 68 unq 0 iso 0 dist 6.59983 7.15048 9.12636 4.85985 7.89895 4.6006 numMergedOcc 0
11 mol 68 unq 0 iso 1 dist 9.12636 7.15048 6.59983 4.6006 7.89895 4.85985 numMergedOcc 0
12 mol 120 unq 0 iso 0 dist 9.13829 5.43508 5.90276 7.77274 6.14769 4.95 numMergedOcc 0
13 mol 120 unq 0 iso 1 dist 5.90276 5.43508 9.13829 4.95 6.14769 7.77274 numMergedOcc 0
14 mol 120 unq 1 iso 0 dist 9.13829 15.5496 8.565 7.77274 6.14769 8.23429 numMergedOcc 0
15 mol 120 unq 1 iso 1 dist 8.565 15.5496 9.13829 8.23429 6.14769 7.77274 numMergedOcc 0
16 mol 120 unq 2 iso 0 dist 6.84082 3.69443 8.66256 7.77274 8.02616 10.778 numMergedOcc 0
17 mol 120 unq 2 iso 1 dist 8.66256 3.69443 6.84082 10.778 8.02616 7.77274 numMergedOcc 0
18 mol 120 unq 3 iso 0 dist 6.84082 5.43508 8.08194 7.77274 8.02616 4.95 numMergedOcc 0
19 mol 120 unq 3 iso 1 dist 8.08194 5.43508 6.84082 4.95 8.02616 7.77274 numMergedOcc 0
20 mol 120 unq 4 iso 0 dist 6.84082 8.26382 9.89622 7.77274 8.02616 4.88697 numMergedOcc 0
21 mol 120 unq 4 iso 1 dist 9.89622 8.26382 6.84082 4.88697 8.02616 7.77274 numMergedOcc 0
22 mol 120 unq 3 iso 0 dist 8.66256 9.0891 8.08194 10.778 8.02616 4.95 numMergedOcc 0
23 mol 120 unq 3 iso 1 dist 8.08194 9.0891 8.66256 4.95 8.02616 10.778 numMergedOcc 0
24 mol 120 unq 4 iso 0 dist 8.66256 9.79343 9.89622 10.778 8.02616 4.88697 numMergedOcc 0
25 mol 120 unq 4 iso 1 dist 9.89622 9.79343 8.66256 4.88697 8.02616 10.778 numMergedOcc 0
26 mol 120 unq 1 iso 0 dist 5.90276 11.401 8.565 4.95 6.14769 8.23429 numMergedOcc 0
27 mol 120 unq 1 iso 1 dist 8.565 11.401 5.90276 8.23429 6.14769 4.95 numMergedOcc 0
28 mol 120 unq 4 iso 0 dist 8.08194 8.22472 9.89622 4.95 8.02616 4.88697 numMergedOcc 0
29 mol 120 unq 4 iso 1 dist 9.89622 8.22472 8.08194 4.88697 8.02616 4.95 numMergedOcc 0
30 mol 151 unq 0 iso 0 dist 8.13302 6.91746 5.11555 12.2326 9.62391 12.2132 numMergedOcc 0
31 mol 151 unq 0 iso 1 dist 5.11555 6.91746 8.13302 12.2132 9.62391 12.2326 numMergedOcc 0
32 mol 151 unq 1 iso 0 dist 8.13302 12.42 8.29457 12.2326 9.62391 5.14768 numMergedOcc 0
33 mol 151 unq 1 iso 1 dist 8.29457 12.42 8.13302 5.14768 9.62391 12.2326 numMergedOcc 0
34 mol 151 unq 1 iso 0 dist 5.11555 9.66427 8.29457 12.2132 9.62391 5.14768 numMergedOcc 0
35 mol 151 unq 1 iso 1 dist 8.29457 9.66427 5.11555 5.14768 9.62391 12.2132 numMergedOcc 0
36 mol 176 unq 0 iso 0 dist 8.00931 7.54158 9.65262 4.84752 5.61752 8.80777 numMergedOcc 0
37 mol 176 unq 0 iso 1 dist 9.65262 7.54158 8.00931 8.80777 5.61752 4.84752 numMergedOcc 0
38 mol 232 unq 0 iso 0 dist 9.62797 8.69427 6.69874 10.7649 4.79504 7.93509 numMergedOcc 0
39 mol 232 unq 0 iso 1 dist 6.69874 8.69427 9.62797 7.93509 4.79504 10.7649 numMergedOcc 0
40 mol 232 unq 1 iso 0 dist 9.62797 10.4504 5.40264 10.7649 4.79504 4.44276 numMergedOcc 0
41 mol 232 unq 1 iso 1 dist 5.40264 10.4504 9.62797 4.44276 4.79504 10.7649 numMergedOcc 0
42 mol 232 unq 2 iso 0 dist 9.62797 14.3802 7.91491 10.7649 4.79504 4.31175 numMergedOcc 0
43 mol 232 unq 2 iso 1 dist 7.91491 14.3802 9.62797 4.31175 4.79504 10.7649 numMergedOcc 0
44 mol 232 unq 1 iso 0 dist 6.69874 4.19978 5.40264 7.93509 4.79504 4.44276 numMergedOcc 0
45 mol 232 unq 1 iso 1 dist 5.40264 4.19978 6.69874 4.44276 4.79504 7.93509 numMergedOcc 0
46 mol 232 unq 2 iso 0 dist 6.69874 9.33666 7.91491 7.93509 4.79504 4.31175 numMergedOcc 0
47 mol 232 unq 2 iso 1 dist 7.91491 9.33666 6.69874 4.31175 4.79504 7.93509 numMergedOcc 0
48 mol 232 unq 2 iso 0 dist 5.40264 5.14994 7.91491 4.44276 4.79504 4.31175 numMergedOcc 0
49 mol 232 unq 2 iso 1 dist 7.91491 5.14994 5.40264 4.31175 4.79504 4.44276 numMergedOcc 0
50 mol 266 unq 0 iso 0 dist 7.01175 6.47501 7.50074 4.39397 9.96942 9.47559 numMergedOcc 0
51 mol 266 unq 0 iso 1 dist 7.50074 6.47501 7.01175 9.47559 9.96942 4.39397 numMergedOcc 0
52 mol 286 unq 0 iso 0 dist 9.96295 11.5223 8.95266 11.4826 9.91859 14.9051 numMergedOcc 0
53 mol 286 unq 0 iso 1 dist 8.95266 11.5223 9.96295 14.9051 9.91859 11.4826 numMergedOcc 0
54 mol 287 unq 0 iso 0 dist 6.08044 6.13067 8.8956 8.76196 9.82863 10.0477 numMergedOcc 0
55 mol 287 unq 0 iso 1 dist 8.8956 6.13067 6.08044 10.0477 9.82863 8.76196 numMergedOcc 0
56 mol 288 unq 0 iso 0 dist 6.08044 6.13067 8.8956 8.76196 9.82863 10.0477 numMergedOcc 0
57 mol 288 unq 0 iso 1 dist 8.8956 6.13067 6.08044 10.0477 9.82863 8.76196 numMergedOcc 0
58 mol 289 unq 0 iso 0 dist 6.08044 6.13067 8.8956 8.76196 9.82863 10.0477 numMergedOcc 0
59 mol 289 unq 0 iso 1 dist 8.8956 6.13067 6.08044 10.0477 9.82863 8.76196 numMergedOcc 0
