0 mol 26 unq 0 iso 0 dist 8.11402 11.4929 8.62693 9.6214 7.84204 14.8978 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 7.72334 4.66619 9.19658 5.88339 9.58751 7.96851 numMergedOcc 0
2 mol 27 unq 1 iso 0 dist 7.90154 10.6589 9.19658 15.6378 9.58751 7.96851 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 7.60482 6.50138 5.67098 5.84579 5.42296 3.97946 numMergedOcc 0
4 mol 56 unq 1 iso 0 dist 7.60482 10.8611 8.58218 5.84579 5.42296 7.82134 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 6.96665 7.90807 7.09641 11.5007 9.40835 3.60431 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 5.86276 5.93341 9.4909 10.4124 7.03887 12.3912 numMergedOcc 0
7 mol 78 unq 1 iso 0 dist 5.86276 5.93341 9.4909 7.98347 5.36451 11.2645 numMergedOcc 0
8 mol 78 unq 2 iso 0 dist 5.86276 5.93341 9.4909 14.0883 9.28354 15.9147 numMergedOcc 0
9 mol 78 unq 3 iso 0 dist 5.86276 9.48025 9.15288 10.4124 7.03887 5.07418 numMergedOcc 0
10 mol 78 unq 4 iso 0 dist 5.86276 9.48025 9.15288 7.98347 5.36451 5.40359 numMergedOcc 0
11 mol 78 unq 5 iso 0 dist 5.86276 9.48025 9.15288 14.0883 9.28354 9.35997 numMergedOcc 0
12 mol 78 unq 6 iso 0 dist 8.16546 14.472 9.4909 13.7086 7.03887 12.3912 numMergedOcc 0
13 mol 78 unq 7 iso 0 dist 8.16546 14.472 9.4909 10.9209 5.36451 11.2645 numMergedOcc 0
14 mol 78 unq 8 iso 0 dist 8.16546 14.472 9.4909 15.7494 9.28354 15.9147 numMergedOcc 0
15 mol 78 unq 9 iso 0 dist 8.16546 15.4424 9.15288 13.7086 7.03887 5.07418 numMergedOcc 0
16 mol 78 unq 10 iso 0 dist 8.16546 15.4424 9.15288 10.9209 5.36451 5.40359 numMergedOcc 0
17 mol 78 unq 11 iso 0 dist 8.16546 15.4424 9.15288 15.7494 9.28354 9.35997 numMergedOcc 0
18 mol 90 unq 0 iso 0 dist 5.42653 7.17147 9.30724 8.91067 6.18681 9.79765 numMergedOcc 0
19 mol 90 unq 1 iso 0 dist 5.42653 7.17147 9.30724 9.02213 9.33288 8.32366 numMergedOcc 0
20 mol 90 unq 2 iso 0 dist 8.71991 13.7205 9.30724 9.22808 6.18681 9.79765 numMergedOcc 0
21 mol 90 unq 3 iso 0 dist 8.71991 13.7205 9.30724 9.61403 9.33288 8.32366 numMergedOcc 0
22 mol 95 unq 0 iso 0 dist 6.65315 5.17317 6.64631 8.02524 9.51981 12.1081 numMergedOcc 0
23 mol 187 unq 0 iso 0 dist 9.25461 6.54244 8.26654 6.93719 9.87719 3.86201 numMergedOcc 0
24 mol 197 unq 0 iso 0 dist 9.69154 9.71601 8.32685 10.5705 9.6071 11.8425 numMergedOcc 0
25 mol 197 unq 1 iso 0 dist 9.69154 9.71601 8.32685 16.6946 9.77656 12.2163 numMergedOcc 0
26 mol 197 unq 2 iso 0 dist 9.69154 13.0921 6.74777 10.5705 9.6071 13.1467 numMergedOcc 0
27 mol 197 unq 3 iso 0 dist 9.69154 13.0921 6.74777 16.6946 9.77656 10.0045 numMergedOcc 0
28 mol 197 unq 4 iso 0 dist 9.69154 17.3782 9.62514 10.5705 9.6071 15.1287 numMergedOcc 0
29 mol 197 unq 5 iso 0 dist 9.69154 17.3782 9.62514 16.6946 9.77656 8.82321 numMergedOcc 0
30 mol 197 unq 6 iso 0 dist 9.49122 15.0474 8.32685 7.21941 9.77656 12.2163 numMergedOcc 0
31 mol 197 unq 7 iso 0 dist 9.49122 15.0474 8.32685 6.62989 9.6071 11.8425 numMergedOcc 0
32 mol 197 unq 8 iso 0 dist 9.49122 13.8252 6.74777 7.21941 9.77656 10.0045 numMergedOcc 0
33 mol 197 unq 9 iso 0 dist 9.49122 13.8252 6.74777 6.62989 9.6071 13.1467 numMergedOcc 0
34 mol 197 unq 10 iso 0 dist 9.49122 14.2846 9.62514 7.21941 9.77656 8.82321 numMergedOcc 0
35 mol 197 unq 11 iso 0 dist 9.49122 14.2846 9.62514 6.62989 9.6071 15.1287 numMergedOcc 0
36 mol 204 unq 0 iso 0 dist 5.29147 5.47316 9.86352 6.46602 7.76863 5.97362 numMergedOcc 0
37 mol 212 unq 0 iso 0 dist 7.55989 5.40959 9.15316 5.62285 6.07371 8.689 numMergedOcc 0
38 mol 212 unq 1 iso 0 dist 7.55989 5.40959 9.15316 8.96045 7.98532 12.2861 numMergedOcc 0
39 mol 239 unq 0 iso 0 dist 7.48307 6.41922 5.648 14.3897 9.99181 9.98527 numMergedOcc 0
40 mol 278 unq 0 iso 0 dist 7.05438 4.80326 8.56029 5.85558 9.94661 7.67795 numMergedOcc 0
41 mol 278 unq 1 iso 0 dist 7.08899 10.9341 8.56029 15.8538 9.94661 7.67795 numMergedOcc 0
42 mol 285 unq 0 iso 0 dist 5.32578 12.5795 8.85005 8.56197 6.01404 9.4876 numMergedOcc 0
43 mol 285 unq 1 iso 0 dist 5.32578 6.61129 8.96754 8.56197 6.01404 7.01472 numMergedOcc 0
44 mol 294 unq 0 iso 0 dist 7.15628 11.7507 7.12793 13.9077 9.33755 4.93923 numMergedOcc 0
45 mol 294 unq 1 iso 0 dist 7.15628 11.7507 7.12793 12.9168 6.25334 10.0659 numMergedOcc 0
46 mol 294 unq 2 iso 0 dist 7.15628 11.1933 6.21208 13.9077 9.33755 10.6017 numMergedOcc 0
47 mol 294 unq 3 iso 0 dist 7.15628 11.1933 6.21208 12.9168 6.25334 7.2873 numMergedOcc 0
