0 mol 9 unq 0 iso 0 dist 5.99711 4.46001 7.25684 11.6572 8.22285 11.8158 5.79505 9.3523 5.77558 10.5584 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 5.99711 11.6572 8.22285 4.46001 7.25684 11.8158 5.79505 9.3523 10.5584 5.77558 numMergedOcc 0
2 mol 13 unq 0 iso 0 dist 5.04036 11.1067 8.00865 13.4623 9.11447 9.40499 6.39939 7.98679 15.907 15.0129 numMergedOcc 0
3 mol 13 unq 0 iso 1 dist 5.04036 13.4623 9.11447 11.1067 8.00865 9.40499 6.39939 7.98679 15.0129 15.907 numMergedOcc 0
4 mol 13 unq 1 iso 0 dist 9.44958 11.4587 8.00865 4.14738 9.11447 9.40499 14.2898 7.98679 15.907 15.0129 numMergedOcc 0
5 mol 13 unq 1 iso 1 dist 9.44958 4.14738 9.11447 11.4587 8.00865 9.40499 14.2898 7.98679 15.0129 15.907 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 7.27883 12.2054 6.93364 9.09489 6.34821 4.72138 9.02863 6.15801 6.45654 7.35043 numMergedOcc 0
7 mol 34 unq 0 iso 1 dist 7.27883 9.09489 6.34821 12.2054 6.93364 4.72138 9.02863 6.15801 7.35043 6.45654 numMergedOcc 0
8 mol 34 unq 1 iso 0 dist 7.27883 12.2054 6.93364 9.09489 6.34821 4.72138 12.015 9.63403 11.9626 13.4874 numMergedOcc 0
9 mol 34 unq 1 iso 1 dist 7.27883 9.09489 6.34821 12.2054 6.93364 4.72138 12.015 9.63403 13.4874 11.9626 numMergedOcc 0
10 mol 34 unq 2 iso 0 dist 7.27883 12.2054 6.93364 9.09489 6.34821 4.72138 4.1203 8.07314 14.1223 12.0754 numMergedOcc 0
11 mol 34 unq 2 iso 1 dist 7.27883 9.09489 6.34821 12.2054 6.93364 4.72138 4.1203 8.07314 12.0754 14.1223 numMergedOcc 0
12 mol 44 unq 0 iso 0 dist 7.03812 9.60832 9.17518 5.27237 8.21833 6.81119 10.0797 7.03307 9.05795 11.814 numMergedOcc 0
13 mol 44 unq 0 iso 1 dist 7.03812 5.27237 8.21833 9.60832 9.17518 6.81119 10.0797 7.03307 11.814 9.05795 numMergedOcc 0
14 mol 44 unq 1 iso 0 dist 7.03812 9.60832 9.17518 5.27237 8.21833 6.81119 6.29545 7.25707 6.37181 7.77924 numMergedOcc 0
15 mol 44 unq 1 iso 1 dist 7.03812 5.27237 8.21833 9.60832 9.17518 6.81119 6.29545 7.25707 7.77924 6.37181 numMergedOcc 0
16 mol 130 unq 0 iso 0 dist 6.62468 6.53156 6.82089 4.72188 5.38314 6.09983 12.1443 9.13191 6.08911 10.0581 numMergedOcc 0
17 mol 130 unq 0 iso 1 dist 6.62468 4.72188 5.38314 6.53156 6.82089 6.09983 12.1443 9.13191 10.0581 6.08911 numMergedOcc 0
18 mol 130 unq 1 iso 0 dist 6.62468 6.53156 6.82089 4.72188 5.38314 6.09983 11.0466 6.95405 11.562 7.20197 numMergedOcc 0
19 mol 130 unq 1 iso 1 dist 6.62468 4.72188 5.38314 6.53156 6.82089 6.09983 11.0466 6.95405 7.20197 11.562 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 8.5076 4.49984 8.07135 10.2495 9.7775 12.7248 5.21047 6.18808 6.61001 6.15037 numMergedOcc 0
21 mol 133 unq 0 iso 1 dist 8.5076 10.2495 9.7775 4.49984 8.07135 12.7248 5.21047 6.18808 6.15037 6.61001 numMergedOcc 0
22 mol 147 unq 0 iso 0 dist 6.4752 4.10092 5.1101 4.47436 7.01133 6.46698 10.7246 7.25644 10.7872 7.66774 numMergedOcc 0
23 mol 147 unq 0 iso 1 dist 6.4752 4.47436 7.01133 4.10092 5.1101 6.46698 10.7246 7.25644 7.66774 10.7872 numMergedOcc 0
24 mol 163 unq 0 iso 0 dist 9.3832 14.7696 8.21476 9.55472 7.66897 7.11179 4.04072 9.79069 15.4471 9.54216 numMergedOcc 0
25 mol 163 unq 0 iso 1 dist 9.3832 9.55472 7.66897 14.7696 8.21476 7.11179 4.04072 9.79069 9.54216 15.4471 numMergedOcc 0
26 mol 163 unq 1 iso 0 dist 9.3832 14.7696 8.21476 9.55472 7.66897 7.11179 16.9342 9.27496 9.33755 10.7572 numMergedOcc 0
27 mol 163 unq 1 iso 1 dist 9.3832 9.55472 7.66897 14.7696 8.21476 7.11179 16.9342 9.27496 10.7572 9.33755 numMergedOcc 0
28 mol 163 unq 2 iso 0 dist 6.0247 6.00005 8.21476 6.69711 7.66897 7.11179 12.5525 9.79069 15.4471 9.54216 numMergedOcc 0
29 mol 163 unq 2 iso 1 dist 6.0247 6.69711 7.66897 6.00005 8.21476 7.11179 12.5525 9.79069 9.54216 15.4471 numMergedOcc 0
30 mol 163 unq 3 iso 0 dist 6.0247 6.00005 8.21476 6.69711 7.66897 7.11179 4.37572 9.27496 9.33755 10.7572 numMergedOcc 0
31 mol 163 unq 3 iso 1 dist 6.0247 6.69711 7.66897 6.00005 8.21476 7.11179 4.37572 9.27496 10.7572 9.33755 numMergedOcc 0
32 mol 163 unq 4 iso 0 dist 6.40873 9.09427 8.21476 5.45003 7.66897 7.11179 8.81556 9.79069 15.4471 9.54216 numMergedOcc 0
33 mol 163 unq 4 iso 1 dist 6.40873 5.45003 7.66897 9.09427 8.21476 7.11179 8.81556 9.79069 9.54216 15.4471 numMergedOcc 0
34 mol 163 unq 5 iso 0 dist 6.40873 9.09427 8.21476 5.45003 7.66897 7.11179 7.05786 9.27496 9.33755 10.7572 numMergedOcc 0
35 mol 163 unq 5 iso 1 dist 6.40873 5.45003 7.66897 9.09427 8.21476 7.11179 7.05786 9.27496 10.7572 9.33755 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 9.91705 6.24616 5.49808 12.5567 7.96291 6.46849 5.32186 9.26796 4.46559 9.08227 numMergedOcc 0
37 mol 181 unq 0 iso 1 dist 9.91705 12.5567 7.96291 6.24616 5.49808 6.46849 5.32186 9.26796 9.08227 4.46559 numMergedOcc 0
38 mol 181 unq 1 iso 0 dist 7.92476 5.56759 5.49808 4.43465 7.96291 6.46849 6.26838 9.26796 4.46559 9.08227 numMergedOcc 0
39 mol 181 unq 1 iso 1 dist 7.92476 4.43465 7.96291 5.56759 5.49808 6.46849 6.26838 9.26796 9.08227 4.46559 numMergedOcc 0
40 mol 239 unq 0 iso 0 dist 8.81373 6.0331 7.18771 4.9045 7.94894 4.89061 4.13135 5.0804 5.2908 5.91881 numMergedOcc 0
41 mol 239 unq 0 iso 1 dist 8.81373 4.9045 7.94894 6.0331 7.18771 4.89061 4.13135 5.0804 5.91881 5.2908 numMergedOcc 0
