0 mol 13 unq 0 iso 0 dist 7.56303 9.77526 5.04036 10.6468 8.00865 11.1067 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 7.56303 9.77526 5.04036 6.28453 9.11447 13.4623 numMergedOcc 0
2 mol 13 unq 2 iso 0 dist 7.56303 8.77656 9.44958 10.6468 8.00865 11.4587 numMergedOcc 0
3 mol 13 unq 3 iso 0 dist 7.56303 8.77656 9.44958 6.28453 9.11447 4.14738 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 8.64844 13.6749 7.27883 6.97983 6.93364 12.2054 numMergedOcc 0
5 mol 34 unq 1 iso 0 dist 8.64844 13.6749 7.27883 10.4068 6.34821 9.09489 numMergedOcc 0
6 mol 39 unq 0 iso 0 dist 6.50983 8.99307 6.12212 5.70213 8.19733 11.6261 numMergedOcc 0
7 mol 39 unq 1 iso 0 dist 6.50983 8.99307 6.12212 11.2297 8.57165 5.48821 numMergedOcc 0
8 mol 44 unq 0 iso 0 dist 5.06773 5.57404 7.03812 7.91356 9.17518 9.60832 numMergedOcc 0
9 mol 44 unq 1 iso 0 dist 5.06773 5.57404 7.03812 3.92405 8.21833 5.27237 numMergedOcc 0
10 mol 44 unq 2 iso 0 dist 8.2444 7.08048 7.03812 13.347 9.17518 9.60832 numMergedOcc 0
11 mol 44 unq 3 iso 0 dist 8.2444 7.08048 7.03812 7.61459 8.21833 5.27237 numMergedOcc 0
12 mol 52 unq 0 iso 0 dist 8.96804 13.2668 9.46302 8.48826 8.65019 8.88127 numMergedOcc 0
13 mol 52 unq 1 iso 0 dist 7.23669 7.2318 9.46302 6.11606 8.65019 8.88127 numMergedOcc 0
14 mol 68 unq 0 iso 0 dist 7.65992 4.11905 5.74389 12.7743 8.80104 10.492 numMergedOcc 0
15 mol 71 unq 0 iso 0 dist 9.40222 12.8258 8.67545 6.01992 6.48531 6.82169 numMergedOcc 0
16 mol 71 unq 1 iso 0 dist 8.87417 13.2306 8.67545 8.73829 6.48531 6.82169 numMergedOcc 0
17 mol 74 unq 0 iso 0 dist 9.9321 14.8662 9.43699 5.67386 4.79413 10.1834 numMergedOcc 0
18 mol 74 unq 1 iso 0 dist 9.9321 8.95169 5.23115 5.67386 4.79413 3.94075 numMergedOcc 0
19 mol 94 unq 0 iso 0 dist 7.69406 12.4809 7.13726 12.5853 9.13207 4.4432 numMergedOcc 0
20 mol 111 unq 0 iso 0 dist 8.52122 10.9853 9.82548 8.37101 7.92876 15.3233 numMergedOcc 0
21 mol 148 unq 0 iso 0 dist 9.14135 5.92269 5.06687 15.3515 8.12589 11.6995 numMergedOcc 0
22 mol 150 unq 0 iso 0 dist 9.12067 5.95123 5.09809 15.4401 8.11592 11.8035 numMergedOcc 0
23 mol 151 unq 0 iso 0 dist 8.40211 10.2163 5.87912 11.5154 5.63814 6.2508 numMergedOcc 0
24 mol 151 unq 1 iso 0 dist 8.40211 7.9137 7.06678 11.5154 5.63814 5.32583 numMergedOcc 0
25 mol 151 unq 2 iso 0 dist 8.24746 10.3952 5.87912 9.34399 5.63814 6.2508 numMergedOcc 0
26 mol 151 unq 3 iso 0 dist 8.24746 4.83603 7.06678 9.34399 5.63814 5.32583 numMergedOcc 0
27 mol 158 unq 0 iso 0 dist 8.15524 10.973 6.92225 10.1854 6.39981 5.49464 numMergedOcc 0
28 mol 163 unq 0 iso 0 dist 7.64106 6.74862 9.3832 10.9684 8.21476 14.7696 numMergedOcc 0
29 mol 163 unq 1 iso 0 dist 7.64106 6.74862 9.3832 8.9019 7.66897 9.55472 numMergedOcc 0
30 mol 163 unq 2 iso 0 dist 7.64106 12.1164 6.0247 10.9684 8.21476 6.00005 numMergedOcc 0
31 mol 163 unq 3 iso 0 dist 7.64106 12.1164 6.0247 8.9019 7.66897 6.69711 numMergedOcc 0
32 mol 163 unq 4 iso 0 dist 7.64106 11.5172 6.40873 10.9684 8.21476 9.09427 numMergedOcc 0
33 mol 163 unq 5 iso 0 dist 7.64106 11.5172 6.40873 8.9019 7.66897 5.45003 numMergedOcc 0
34 mol 213 unq 0 iso 0 dist 9.95628 12.1 8.91912 5.52154 7.37935 6.58235 numMergedOcc 0
35 mol 252 unq 0 iso 0 dist 9.00798 6.6854 5.22349 6.15482 6.57207 7.31906 numMergedOcc 0
36 mol 258 unq 0 iso 0 dist 9.84755 3.851 9.49787 9.58208 9.51311 9.33248 numMergedOcc 0
37 mol 270 unq 0 iso 0 dist 5.63728 5.73572 4.95899 5.66191 7.89335 5.90942 numMergedOcc 0
38 mol 272 unq 0 iso 0 dist 7.36125 11.2522 8.62966 6.5996 6.45328 6.83359 numMergedOcc 0
39 mol 277 unq 0 iso 0 dist 7.2551 3.93775 5.70326 6.4731 6.73126 7.49914 numMergedOcc 0
40 mol 286 unq 0 iso 0 dist 9.41529 9.09875 7.3415 9.35274 8.72146 8.56408 numMergedOcc 0
