0 mol 8 unq 0 iso 0 dist 8.94096 11.3346 9.07858 12.7056 8.77457 16.8602 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 9.07858 11.3346 8.94096 16.8602 8.77457 12.7056 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 7.25684 11.8158 8.22285 5.77558 9.3523 10.5584 numMergedOcc 0
3 mol 9 unq 0 iso 1 dist 8.22285 11.8158 7.25684 10.5584 9.3523 5.77558 numMergedOcc 0
4 mol 13 unq 0 iso 0 dist 8.00865 9.40499 9.11447 15.907 7.98679 15.0129 numMergedOcc 0
5 mol 13 unq 0 iso 1 dist 9.11447 9.40499 8.00865 15.0129 7.98679 15.907 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 6.93364 4.72138 6.34821 6.45654 6.15801 7.35043 numMergedOcc 0
7 mol 34 unq 0 iso 1 dist 6.34821 4.72138 6.93364 7.35043 6.15801 6.45654 numMergedOcc 0
8 mol 34 unq 1 iso 0 dist 6.93364 4.72138 6.34821 11.9626 9.63403 13.4874 numMergedOcc 0
9 mol 34 unq 1 iso 1 dist 6.34821 4.72138 6.93364 13.4874 9.63403 11.9626 numMergedOcc 0
10 mol 34 unq 2 iso 0 dist 6.93364 4.72138 6.34821 14.1223 8.07314 12.0754 numMergedOcc 0
11 mol 34 unq 2 iso 1 dist 6.34821 4.72138 6.93364 12.0754 8.07314 14.1223 numMergedOcc 0
12 mol 44 unq 0 iso 0 dist 9.17518 6.81119 8.21833 9.05795 7.03307 11.814 numMergedOcc 0
13 mol 44 unq 0 iso 1 dist 8.21833 6.81119 9.17518 11.814 7.03307 9.05795 numMergedOcc 0
14 mol 44 unq 1 iso 0 dist 9.17518 6.81119 8.21833 6.37181 7.25707 7.77924 numMergedOcc 0
15 mol 44 unq 1 iso 1 dist 8.21833 6.81119 9.17518 7.77924 7.25707 6.37181 numMergedOcc 0
16 mol 130 unq 0 iso 0 dist 6.82089 6.09983 5.38314 6.08911 9.13191 10.0581 numMergedOcc 0
17 mol 130 unq 0 iso 1 dist 5.38314 6.09983 6.82089 10.0581 9.13191 6.08911 numMergedOcc 0
18 mol 130 unq 1 iso 0 dist 6.82089 6.09983 5.38314 11.562 6.95405 7.20197 numMergedOcc 0
19 mol 130 unq 1 iso 1 dist 5.38314 6.09983 6.82089 7.20197 6.95405 11.562 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 8.07135 12.7248 9.7775 6.61001 6.18808 6.15037 numMergedOcc 0
21 mol 133 unq 0 iso 1 dist 9.7775 12.7248 8.07135 6.15037 6.18808 6.61001 numMergedOcc 0
22 mol 147 unq 0 iso 0 dist 5.1101 6.46698 7.01133 10.7872 7.25644 7.66774 numMergedOcc 0
23 mol 147 unq 0 iso 1 dist 7.01133 6.46698 5.1101 7.66774 7.25644 10.7872 numMergedOcc 0
24 mol 154 unq 0 iso 0 dist 9.47362 15.1287 6.28417 12.7281 6.51014 4.70993 numMergedOcc 0
25 mol 154 unq 0 iso 1 dist 6.28417 15.1287 9.47362 4.70993 6.51014 12.7281 numMergedOcc 0
26 mol 163 unq 0 iso 0 dist 8.21476 7.11179 7.66897 15.4471 9.79069 9.54216 numMergedOcc 0
27 mol 163 unq 0 iso 1 dist 7.66897 7.11179 8.21476 9.54216 9.79069 15.4471 numMergedOcc 0
28 mol 163 unq 1 iso 0 dist 8.21476 7.11179 7.66897 9.33755 9.27496 10.7572 numMergedOcc 0
29 mol 163 unq 1 iso 1 dist 7.66897 7.11179 8.21476 10.7572 9.27496 9.33755 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 7.345 6.33699 9.52987 9.87435 7.11785 14.6648 numMergedOcc 0
31 mol 181 unq 0 iso 1 dist 9.52987 6.33699 7.345 14.6648 7.11785 9.87435 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 5.49808 6.46849 7.96291 4.46559 9.26796 9.08227 numMergedOcc 0
33 mol 181 unq 1 iso 1 dist 7.96291 6.46849 5.49808 9.08227 9.26796 4.46559 numMergedOcc 0
34 mol 218 unq 0 iso 0 dist 6.86795 9.17818 6.61099 5.89482 8.3087 6.65167 numMergedOcc 0
35 mol 218 unq 0 iso 1 dist 6.61099 9.17818 6.86795 6.65167 8.3087 5.89482 numMergedOcc 0
36 mol 239 unq 0 iso 0 dist 7.18771 4.89061 7.94894 5.2908 5.0804 5.91881 numMergedOcc 0
37 mol 239 unq 0 iso 1 dist 7.94894 4.89061 7.18771 5.91881 5.0804 5.2908 numMergedOcc 0
38 mol 278 unq 0 iso 0 dist 9.80746 10.1368 9.48589 11.3687 7.21972 7.83538 numMergedOcc 0
39 mol 278 unq 0 iso 1 dist 9.48589 10.1368 9.80746 7.83538 7.21972 11.3687 numMergedOcc 0
40 mol 282 unq 0 iso 0 dist 9.96468 5.50511 9.59817 6.18986 8.53065 10.2999 numMergedOcc 0
41 mol 282 unq 0 iso 1 dist 9.59817 5.50511 9.96468 10.2999 8.53065 6.18986 numMergedOcc 0
42 mol 282 unq 1 iso 0 dist 9.96468 5.50511 9.59817 9.09482 8.67489 6.21176 numMergedOcc 0
43 mol 282 unq 1 iso 1 dist 9.59817 5.50511 9.96468 6.21176 8.67489 9.09482 numMergedOcc 0
