0 mol 18 unq 0 iso 0 dist 8.25905 16.1629 9.35863 16.4074 9.4067 8.11835 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 8.71628 5.06894 5.9809 11.6563 4.49303 7.99756 numMergedOcc 0
2 mol 20 unq 1 iso 0 dist 8.71628 9.95303 5.83917 11.6563 4.49303 4.36087 numMergedOcc 0
3 mol 20 unq 2 iso 0 dist 8.71628 9.95303 5.83917 12.359 6.00525 7.09639 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 8.16769 6.9246 6.016 13.3026 8.50202 6.52283 numMergedOcc 0
5 mol 34 unq 1 iso 0 dist 8.50453 6.9246 8.38156 13.3026 12.0023 6.52283 numMergedOcc 0
6 mol 34 unq 2 iso 0 dist 8.50453 12.5287 7.79336 21.7576 16.3505 9.41098 numMergedOcc 0
7 mol 34 unq 3 iso 0 dist 6.74716 8.09738 8.38156 13.9663 12.0023 6.52283 numMergedOcc 0
8 mol 34 unq 4 iso 0 dist 6.74716 7.48264 7.79336 16.6441 16.3505 9.41098 numMergedOcc 0
9 mol 62 unq 0 iso 0 dist 4.89196 7.751 9.1062 8.32519 5.27573 9.19512 numMergedOcc 0
10 mol 68 unq 0 iso 0 dist 9.46609 3.62638 7.95451 4.9983 8.98865 5.64092 numMergedOcc 0
11 mol 68 unq 1 iso 0 dist 9.46609 3.62638 7.95451 11.6661 6.85428 8.71074 numMergedOcc 0
12 mol 72 unq 0 iso 0 dist 7.95972 10.6185 6.7272 17.3558 10.0349 8.80645 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 8.94447 11.2557 5.29949 6.24308 5.46299 9.60127 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 4.87879 8.17498 5.73203 9.68601 5.45 6.76852 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 4.87879 10.9758 6.57379 9.68601 5.45 4.94473 numMergedOcc 0
16 mol 134 unq 2 iso 0 dist 6.76614 6.6473 5.73203 8.68246 5.45 6.76852 numMergedOcc 0
17 mol 134 unq 3 iso 0 dist 6.76614 10.3627 6.57379 8.68246 5.45 4.94473 numMergedOcc 0
18 mol 134 unq 4 iso 0 dist 8.80672 6.67639 5.73203 9.21333 5.45 6.76852 numMergedOcc 0
19 mol 134 unq 5 iso 0 dist 8.80672 4.4987 6.57379 9.21333 5.45 4.94473 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 9.55297 11.0797 7.54341 15.2252 9.42799 5.95801 numMergedOcc 0
21 mol 141 unq 1 iso 0 dist 9.55297 11.0797 7.54341 9.22913 11.3121 9.92715 numMergedOcc 0
22 mol 214 unq 0 iso 0 dist 8.20906 5.055 9.58372 9.57294 6.05252 7.70062 numMergedOcc 0
23 mol 214 unq 1 iso 0 dist 8.20906 5.055 9.58372 7.93054 4.00138 7.66702 numMergedOcc 0
24 mol 218 unq 0 iso 0 dist 7.89694 6.27279 9.59426 10.5335 8.49357 6.17843 numMergedOcc 0
25 mol 218 unq 1 iso 0 dist 7.89694 6.27279 9.59426 14.2084 13.6717 8.52772 numMergedOcc 0
26 mol 218 unq 2 iso 0 dist 5.66171 6.27279 8.61306 10.5335 9.62853 6.17843 numMergedOcc 0
27 mol 218 unq 3 iso 0 dist 5.66171 6.27279 8.61306 14.2084 13.697 8.52772 numMergedOcc 0
28 mol 254 unq 0 iso 0 dist 9.16587 13.0023 9.66641 12.4782 6.19835 5.6417 numMergedOcc 0
29 mol 254 unq 1 iso 0 dist 9.16587 12.1584 9.26575 12.4782 6.19835 7.42831 numMergedOcc 0
30 mol 260 unq 0 iso 0 dist 6.29389 12.978 8.5613 11.0968 6.03233 9.73217 numMergedOcc 0
31 mol 260 unq 1 iso 0 dist 9.50619 9.31424 5.7791 5.33881 7.66564 9.73217 numMergedOcc 0
32 mol 272 unq 0 iso 0 dist 6.27189 13.4399 8.84523 15.9693 9.97731 5.53492 numMergedOcc 0
33 mol 287 unq 0 iso 0 dist 8.70062 9.8719 8.59762 10.7004 8.99193 4.93516 numMergedOcc 0
34 mol 288 unq 0 iso 0 dist 8.70062 9.8719 8.59762 10.7004 8.99193 4.93516 numMergedOcc 0
35 mol 289 unq 0 iso 0 dist 8.70062 9.8719 8.59762 10.7004 8.99193 4.93516 numMergedOcc 0
