0 mol 56 unq 0 iso 0 dist 5.67098 4.49719 8.58218 3.97946 5.42296 7.82134 numMergedOcc 0
1 mol 56 unq 0 iso 1 dist 8.58218 4.49719 5.67098 7.82134 5.42296 3.97946 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 8.17564 3.8971 7.19213 4.82623 7.92479 6.24283 numMergedOcc 0
3 mol 59 unq 0 iso 1 dist 7.19213 3.8971 8.17564 6.24283 7.92479 4.82623 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 8.17564 3.8971 7.19213 8.76577 7.86646 5.00893 numMergedOcc 0
5 mol 59 unq 1 iso 1 dist 7.19213 3.8971 8.17564 5.00893 7.86646 8.76577 numMergedOcc 0
6 mol 59 unq 2 iso 0 dist 8.17564 14.4502 6.94351 4.82623 7.92479 14.6444 numMergedOcc 0
7 mol 59 unq 2 iso 1 dist 6.94351 14.4502 8.17564 14.6444 7.92479 4.82623 numMergedOcc 0
8 mol 59 unq 3 iso 0 dist 8.17564 14.4502 6.94351 8.76577 7.86646 12.5693 numMergedOcc 0
9 mol 59 unq 3 iso 1 dist 6.94351 14.4502 8.17564 12.5693 7.86646 8.76577 numMergedOcc 0
10 mol 59 unq 2 iso 0 dist 7.19213 13.5267 6.94351 6.24283 7.92479 14.6444 numMergedOcc 0
11 mol 59 unq 2 iso 1 dist 6.94351 13.5267 7.19213 14.6444 7.92479 6.24283 numMergedOcc 0
12 mol 59 unq 3 iso 0 dist 7.19213 13.5267 6.94351 5.00893 7.86646 12.5693 numMergedOcc 0
13 mol 59 unq 3 iso 1 dist 6.94351 13.5267 7.19213 12.5693 7.86646 5.00893 numMergedOcc 0
14 mol 65 unq 0 iso 0 dist 6.97879 6.10531 8.56202 9.72356 8.52805 13.0357 numMergedOcc 0
15 mol 65 unq 0 iso 1 dist 8.56202 6.10531 6.97879 13.0357 8.52805 9.72356 numMergedOcc 0
16 mol 76 unq 0 iso 0 dist 8.39101 8.17321 6.57826 7.43211 6.92381 4.81015 numMergedOcc 0
17 mol 76 unq 0 iso 1 dist 6.57826 8.17321 8.39101 4.81015 6.92381 7.43211 numMergedOcc 0
18 mol 78 unq 0 iso 0 dist 9.15288 10.0477 9.4909 5.07418 7.03887 12.3912 numMergedOcc 0
19 mol 78 unq 0 iso 1 dist 9.4909 10.0477 9.15288 12.3912 7.03887 5.07418 numMergedOcc 0
20 mol 78 unq 1 iso 0 dist 9.15288 10.0477 9.4909 5.40359 5.36451 11.2645 numMergedOcc 0
21 mol 78 unq 1 iso 1 dist 9.4909 10.0477 9.15288 11.2645 5.36451 5.40359 numMergedOcc 0
22 mol 78 unq 2 iso 0 dist 9.15288 10.0477 9.4909 9.35997 9.28354 15.9147 numMergedOcc 0
23 mol 78 unq 2 iso 1 dist 9.4909 10.0477 9.15288 15.9147 9.28354 9.35997 numMergedOcc 0
24 mol 117 unq 0 iso 0 dist 8.0578 12.3184 8.78982 6.92687 9.86985 10.5972 numMergedOcc 0
25 mol 117 unq 0 iso 1 dist 8.78982 12.3184 8.0578 10.5972 9.86985 6.92687 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 5.41368 4.09371 7.96182 3.55808 7.61421 6.33098 numMergedOcc 0
27 mol 181 unq 0 iso 1 dist 7.96182 4.09371 5.41368 6.33098 7.61421 3.55808 numMergedOcc 0
28 mol 181 unq 1 iso 0 dist 5.41368 7.37799 7.90237 3.55808 7.61421 8.9845 numMergedOcc 0
29 mol 181 unq 1 iso 1 dist 7.90237 7.37799 5.41368 8.9845 7.61421 3.55808 numMergedOcc 0
30 mol 181 unq 1 iso 0 dist 7.96182 5.54834 7.90237 6.33098 7.61421 8.9845 numMergedOcc 0
31 mol 181 unq 1 iso 1 dist 7.90237 5.54834 7.96182 8.9845 7.61421 6.33098 numMergedOcc 0
32 mol 181 unq 2 iso 0 dist 6.17129 6.7732 5.83596 3.59953 6.91878 9.61614 numMergedOcc 0
33 mol 181 unq 2 iso 1 dist 5.83596 6.7732 6.17129 9.61614 6.91878 3.59953 numMergedOcc 0
34 mol 197 unq 0 iso 0 dist 8.32685 5.3979 6.74777 11.8425 9.6071 13.1467 numMergedOcc 0
35 mol 197 unq 0 iso 1 dist 6.74777 5.3979 8.32685 13.1467 9.6071 11.8425 numMergedOcc 0
36 mol 197 unq 1 iso 0 dist 8.32685 5.3979 6.74777 12.2163 9.77656 10.0045 numMergedOcc 0
37 mol 197 unq 1 iso 1 dist 6.74777 5.3979 8.32685 10.0045 9.77656 12.2163 numMergedOcc 0
38 mol 197 unq 2 iso 0 dist 8.32685 9.51831 9.62514 11.8425 9.6071 15.1287 numMergedOcc 0
39 mol 197 unq 2 iso 1 dist 9.62514 9.51831 8.32685 15.1287 9.6071 11.8425 numMergedOcc 0
40 mol 197 unq 3 iso 0 dist 8.32685 9.51831 9.62514 12.2163 9.77656 8.82321 numMergedOcc 0
41 mol 197 unq 3 iso 1 dist 9.62514 9.51831 8.32685 8.82321 9.77656 12.2163 numMergedOcc 0
42 mol 197 unq 1 iso 0 dist 6.74777 4.66266 9.62514 10.0045 9.77656 8.82321 numMergedOcc 0
43 mol 197 unq 1 iso 1 dist 9.62514 4.66266 6.74777 8.82321 9.77656 10.0045 numMergedOcc 0
44 mol 197 unq 2 iso 0 dist 6.74777 4.66266 9.62514 13.1467 9.6071 15.1287 numMergedOcc 0
45 mol 197 unq 2 iso 1 dist 9.62514 4.66266 6.74777 15.1287 9.6071 13.1467 numMergedOcc 0
46 mol 232 unq 0 iso 0 dist 7.79085 4.19978 6.48753 13.7353 8.49913 10.1969 numMergedOcc 0
47 mol 232 unq 0 iso 1 dist 6.48753 4.19978 7.79085 10.1969 8.49913 13.7353 numMergedOcc 0
48 mol 232 unq 1 iso 0 dist 7.79085 9.33666 7.83802 13.7353 8.49913 6.46773 numMergedOcc 0
49 mol 232 unq 1 iso 1 dist 7.83802 9.33666 7.79085 6.46773 8.49913 13.7353 numMergedOcc 0
50 mol 232 unq 1 iso 0 dist 6.48753 5.14994 7.83802 10.1969 8.49913 6.46773 numMergedOcc 0
51 mol 232 unq 1 iso 1 dist 7.83802 5.14994 6.48753 6.46773 8.49913 10.1969 numMergedOcc 0
52 mol 285 unq 0 iso 0 dist 8.85005 14.6038 8.96754 9.4876 6.01404 7.01472 numMergedOcc 0
53 mol 285 unq 0 iso 1 dist 8.96754 14.6038 8.85005 7.01472 6.01404 9.4876 numMergedOcc 0
54 mol 294 unq 0 iso 0 dist 7.12793 6.19256 6.21208 4.93923 9.33755 10.6017 numMergedOcc 0
55 mol 294 unq 0 iso 1 dist 6.21208 6.19256 7.12793 10.6017 9.33755 4.93923 numMergedOcc 0
56 mol 294 unq 1 iso 0 dist 7.12793 6.19256 6.21208 10.0659 6.25334 7.2873 numMergedOcc 0
57 mol 294 unq 1 iso 1 dist 6.21208 6.19256 7.12793 7.2873 6.25334 10.0659 numMergedOcc 0
