0 mol 13 unq 0 iso 0 dist 7.56303 9.77526 5.04036 10.6468 8.00865 11.1067 11.5415 7.98679 6.39939 15.907 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 7.56303 9.77526 5.04036 6.28453 9.11447 13.4623 11.5415 7.98679 6.39939 15.0129 numMergedOcc 0
2 mol 13 unq 2 iso 0 dist 7.56303 8.77656 9.44958 10.6468 8.00865 11.4587 11.5415 7.98679 14.2898 15.907 numMergedOcc 0
3 mol 13 unq 3 iso 0 dist 7.56303 8.77656 9.44958 6.28453 9.11447 4.14738 11.5415 7.98679 14.2898 15.0129 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 8.64844 13.6749 7.27883 6.97983 6.93364 12.2054 5.08831 6.15801 9.02863 6.45654 numMergedOcc 0
5 mol 34 unq 1 iso 0 dist 8.64844 13.6749 7.27883 6.97983 6.93364 12.2054 6.54316 9.63403 12.015 11.9626 numMergedOcc 0
6 mol 34 unq 2 iso 0 dist 8.64844 13.6749 7.27883 6.97983 6.93364 12.2054 13.7964 8.07314 4.1203 14.1223 numMergedOcc 0
7 mol 34 unq 3 iso 0 dist 8.64844 13.6749 7.27883 10.4068 6.34821 9.09489 5.08831 6.15801 9.02863 7.35043 numMergedOcc 0
8 mol 34 unq 4 iso 0 dist 8.64844 13.6749 7.27883 10.4068 6.34821 9.09489 6.54316 9.63403 12.015 13.4874 numMergedOcc 0
9 mol 34 unq 5 iso 0 dist 8.64844 13.6749 7.27883 10.4068 6.34821 9.09489 13.7964 8.07314 4.1203 12.0754 numMergedOcc 0
10 mol 44 unq 0 iso 0 dist 5.06773 5.57404 7.03812 7.91356 9.17518 9.60832 10.5918 7.03307 10.0797 9.05795 numMergedOcc 0
11 mol 44 unq 1 iso 0 dist 5.06773 5.57404 7.03812 7.91356 9.17518 9.60832 8.16312 7.25707 6.29545 6.37181 numMergedOcc 0
12 mol 44 unq 2 iso 0 dist 5.06773 5.57404 7.03812 3.92405 8.21833 5.27237 10.5918 7.03307 10.0797 11.814 numMergedOcc 0
13 mol 44 unq 3 iso 0 dist 5.06773 5.57404 7.03812 3.92405 8.21833 5.27237 8.16312 7.25707 6.29545 7.77924 numMergedOcc 0
14 mol 44 unq 4 iso 0 dist 8.2444 7.08048 7.03812 13.347 9.17518 9.60832 14.6127 7.03307 10.0797 9.05795 numMergedOcc 0
15 mol 44 unq 5 iso 0 dist 8.2444 7.08048 7.03812 13.347 9.17518 9.60832 12.3178 7.25707 6.29545 6.37181 numMergedOcc 0
16 mol 44 unq 6 iso 0 dist 8.2444 7.08048 7.03812 7.61459 8.21833 5.27237 14.6127 7.03307 10.0797 11.814 numMergedOcc 0
17 mol 44 unq 7 iso 0 dist 8.2444 7.08048 7.03812 7.61459 8.21833 5.27237 12.3178 7.25707 6.29545 7.77924 numMergedOcc 0
18 mol 52 unq 0 iso 0 dist 8.96804 13.2668 9.46302 8.48826 8.65019 8.88127 12.1241 9.80143 5.51146 4.70551 numMergedOcc 0
19 mol 52 unq 1 iso 0 dist 7.23669 7.2318 9.46302 6.11606 8.65019 8.88127 7.37655 9.80143 5.51146 4.70551 numMergedOcc 0
20 mol 68 unq 0 iso 0 dist 7.65992 4.11905 5.74389 12.7743 8.80104 10.492 6.13443 6.40693 6.32283 7.66647 numMergedOcc 0
21 mol 151 unq 0 iso 0 dist 8.40211 10.2163 5.87912 11.5154 5.63814 6.2508 9.16226 4.74531 3.95051 8.3622 numMergedOcc 0
22 mol 151 unq 1 iso 0 dist 8.40211 7.9137 7.06678 11.5154 5.63814 5.32583 9.16226 4.74531 9.40926 8.3622 numMergedOcc 0
23 mol 151 unq 2 iso 0 dist 8.24746 10.3952 5.87912 9.34399 5.63814 6.2508 10.6214 4.74531 3.95051 8.3622 numMergedOcc 0
24 mol 151 unq 3 iso 0 dist 8.24746 4.83603 7.06678 9.34399 5.63814 5.32583 10.6214 4.74531 9.40926 8.3622 numMergedOcc 0
25 mol 158 unq 0 iso 0 dist 8.15524 10.973 6.92225 10.1854 6.39981 5.49464 13.3358 6.76055 4.31531 5.42969 numMergedOcc 0
26 mol 158 unq 1 iso 0 dist 8.15524 10.973 6.92225 10.1854 6.39981 5.49464 14.2466 9.36343 9.29425 4.77562 numMergedOcc 0
27 mol 163 unq 0 iso 0 dist 7.64106 6.74862 9.3832 10.9684 8.21476 14.7696 10.013 9.79069 4.04072 15.4471 numMergedOcc 0
28 mol 163 unq 1 iso 0 dist 7.64106 6.74862 9.3832 10.9684 8.21476 14.7696 16.2291 9.27496 16.9342 9.33755 numMergedOcc 0
29 mol 163 unq 2 iso 0 dist 7.64106 6.74862 9.3832 8.9019 7.66897 9.55472 10.013 9.79069 4.04072 9.54216 numMergedOcc 0
30 mol 163 unq 3 iso 0 dist 7.64106 6.74862 9.3832 8.9019 7.66897 9.55472 16.2291 9.27496 16.9342 10.7572 numMergedOcc 0
31 mol 163 unq 4 iso 0 dist 7.64106 12.1164 6.0247 10.9684 8.21476 6.00005 10.013 9.79069 12.5525 15.4471 numMergedOcc 0
32 mol 163 unq 5 iso 0 dist 7.64106 12.1164 6.0247 10.9684 8.21476 6.00005 16.2291 9.27496 4.37572 9.33755 numMergedOcc 0
33 mol 163 unq 6 iso 0 dist 7.64106 12.1164 6.0247 8.9019 7.66897 6.69711 10.013 9.79069 12.5525 9.54216 numMergedOcc 0
34 mol 163 unq 7 iso 0 dist 7.64106 12.1164 6.0247 8.9019 7.66897 6.69711 16.2291 9.27496 4.37572 10.7572 numMergedOcc 0
35 mol 163 unq 8 iso 0 dist 7.64106 11.5172 6.40873 10.9684 8.21476 9.09427 10.013 9.79069 8.81556 15.4471 numMergedOcc 0
36 mol 163 unq 9 iso 0 dist 7.64106 11.5172 6.40873 10.9684 8.21476 9.09427 16.2291 9.27496 7.05786 9.33755 numMergedOcc 0
37 mol 163 unq 10 iso 0 dist 7.64106 11.5172 6.40873 8.9019 7.66897 5.45003 10.013 9.79069 8.81556 9.54216 numMergedOcc 0
38 mol 163 unq 11 iso 0 dist 7.64106 11.5172 6.40873 8.9019 7.66897 5.45003 16.2291 9.27496 7.05786 10.7572 numMergedOcc 0
39 mol 213 unq 0 iso 0 dist 9.95628 12.1 8.91912 5.52154 7.37935 6.58235 13.2163 8.42053 9.37425 9.84448 numMergedOcc 0
40 mol 277 unq 0 iso 0 dist 7.2551 3.93775 5.70326 6.4731 6.73126 7.49914 6.74507 8.81717 9.45482 9.00644 numMergedOcc 0
41 mol 286 unq 0 iso 0 dist 9.41529 9.09875 7.3415 9.35274 8.72146 8.56408 5.45497 8.69826 5.38595 5.86348 numMergedOcc 0
