0 mol 28 unq 0 iso 0 dist 5.32719 7.26052 7.28416 8.0641 9.72965 4.74049 6.77926 8.75468 4.55829 7.39132 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 5.32719 7.26052 7.28416 8.0641 9.72965 4.74049 3.85555 7.62989 5.13816 5.28861 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 5.32719 7.26052 7.28416 8.0641 9.72965 4.74049 7.50035 5.70238 7.07342 6.94261 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 5.32719 7.26052 7.28416 10.6532 5.63315 10.2179 6.77926 8.75468 4.55829 13.2225 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 5.32719 7.26052 7.28416 10.6532 5.63315 10.2179 3.85555 7.62989 5.13816 12.3695 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 5.32719 7.26052 7.28416 10.6532 5.63315 10.2179 7.50035 5.70238 7.07342 6.33375 numMergedOcc 0
6 mol 28 unq 6 iso 0 dist 5.32719 7.26052 7.28416 12.9204 9.8465 7.01194 6.77926 8.75468 4.55829 10.8134 numMergedOcc 0
7 mol 28 unq 7 iso 0 dist 5.32719 7.26052 7.28416 12.9204 9.8465 7.01194 3.85555 7.62989 5.13816 11.956 numMergedOcc 0
8 mol 28 unq 8 iso 0 dist 5.32719 7.26052 7.28416 12.9204 9.8465 7.01194 7.50035 5.70238 7.07342 8.99305 numMergedOcc 0
9 mol 28 unq 9 iso 0 dist 7.03702 7.36654 7.28416 5.53358 9.72965 4.74049 9.63176 8.75468 4.55829 7.39132 numMergedOcc 0
10 mol 28 unq 10 iso 0 dist 7.03702 7.36654 7.28416 5.53358 9.72965 4.74049 5.94896 7.62989 5.13816 5.28861 numMergedOcc 0
11 mol 28 unq 11 iso 0 dist 7.03702 7.36654 7.28416 5.53358 9.72965 4.74049 3.92369 5.70238 7.07342 6.94261 numMergedOcc 0
12 mol 28 unq 12 iso 0 dist 7.03702 7.36654 7.28416 9.79971 5.63315 10.2179 9.63176 8.75468 4.55829 13.2225 numMergedOcc 0
13 mol 28 unq 13 iso 0 dist 7.03702 7.36654 7.28416 9.79971 5.63315 10.2179 5.94896 7.62989 5.13816 12.3695 numMergedOcc 0
14 mol 28 unq 14 iso 0 dist 7.03702 7.36654 7.28416 9.79971 5.63315 10.2179 3.92369 5.70238 7.07342 6.33375 numMergedOcc 0
15 mol 28 unq 15 iso 0 dist 7.03702 7.36654 7.28416 11.7809 9.8465 7.01194 9.63176 8.75468 4.55829 10.8134 numMergedOcc 0
16 mol 28 unq 16 iso 0 dist 7.03702 7.36654 7.28416 11.7809 9.8465 7.01194 5.94896 7.62989 5.13816 11.956 numMergedOcc 0
17 mol 28 unq 17 iso 0 dist 7.03702 7.36654 7.28416 11.7809 9.8465 7.01194 3.92369 5.70238 7.07342 8.99305 numMergedOcc 0
18 mol 73 unq 0 iso 0 dist 8.39494 5.4527 8.03303 9.06936 8.58543 8.92736 3.95066 8.59337 6.28792 12.2331 numMergedOcc 0
19 mol 73 unq 1 iso 0 dist 8.39494 5.4527 8.03303 9.06936 8.58543 8.92736 6.09246 7.66942 4.4893 4.53496 numMergedOcc 0
20 mol 92 unq 0 iso 0 dist 6.40964 9.40813 8.65802 9.28233 8.03028 12.1157 4.51052 7.87729 10.3949 13.3357 numMergedOcc 0
21 mol 92 unq 1 iso 0 dist 6.40964 9.40813 8.65802 11.1606 7.39754 7.23437 4.51052 7.87729 10.3949 13.7136 numMergedOcc 0
22 mol 93 unq 0 iso 0 dist 8.16531 14.5206 9.81831 4.55916 5.51624 11.6865 11.064 6.46217 8.13232 10.1484 numMergedOcc 0
23 mol 93 unq 1 iso 0 dist 8.16531 14.5206 9.81831 15.9068 7.8674 12.2598 11.064 6.46217 8.13232 10.2139 numMergedOcc 0
24 mol 93 unq 2 iso 0 dist 8.16531 10.2104 9.12858 4.55916 5.51624 7.64463 11.064 6.46217 9.79899 10.1484 numMergedOcc 0
25 mol 93 unq 3 iso 0 dist 8.16531 10.2104 9.12858 15.9068 7.8674 14.8533 11.064 6.46217 9.79899 10.2139 numMergedOcc 0
26 mol 93 unq 4 iso 0 dist 8.16531 12.7325 9.4523 4.55916 5.51624 8.29171 11.064 6.46217 13.6379 10.1484 numMergedOcc 0
27 mol 93 unq 5 iso 0 dist 8.16531 12.7325 9.4523 15.9068 7.8674 12.7936 11.064 6.46217 13.6379 10.2139 numMergedOcc 0
28 mol 93 unq 6 iso 0 dist 8.98593 10.145 9.81831 13.8162 5.51624 11.6865 4.45993 6.46217 8.13232 10.1484 numMergedOcc 0
29 mol 93 unq 7 iso 0 dist 8.98593 10.145 9.81831 8.93352 7.8674 12.2598 4.45993 6.46217 8.13232 10.2139 numMergedOcc 0
30 mol 93 unq 8 iso 0 dist 8.98593 13.574 9.12858 13.8162 5.51624 7.64463 4.45993 6.46217 9.79899 10.1484 numMergedOcc 0
31 mol 93 unq 9 iso 0 dist 8.98593 13.574 9.12858 8.93352 7.8674 14.8533 4.45993 6.46217 9.79899 10.2139 numMergedOcc 0
32 mol 93 unq 10 iso 0 dist 8.98593 16.236 9.4523 13.8162 5.51624 8.29171 4.45993 6.46217 13.6379 10.1484 numMergedOcc 0
33 mol 93 unq 11 iso 0 dist 8.98593 16.236 9.4523 8.93352 7.8674 12.7936 4.45993 6.46217 13.6379 10.2139 numMergedOcc 0
34 mol 109 unq 0 iso 0 dist 8.71813 9.09837 8.67766 5.71872 9.92553 11.8348 4.37072 9.67274 10.8085 9.65072 numMergedOcc 0
35 mol 109 unq 1 iso 0 dist 8.71813 10.9676 8.0831 5.71872 9.92553 15.0307 4.37072 9.67274 10.1337 9.65072 numMergedOcc 0
36 mol 152 unq 0 iso 0 dist 9.3516 10.5062 8.35555 7.96634 8.60521 7.78913 9.89404 9.48674 9.75376 13.909 numMergedOcc 0
37 mol 152 unq 1 iso 0 dist 9.3516 10.5062 8.35555 5.35395 6.39031 5.70788 9.89404 9.48674 9.75376 6.69469 numMergedOcc 0
38 mol 162 unq 0 iso 0 dist 8.6792 6.22059 6.20182 12.783 8.53374 6.69868 7.05221 9.56342 4.51281 9.586 numMergedOcc 0
39 mol 175 unq 0 iso 0 dist 9.02096 13.6066 8.0154 9.412 7.32419 12.3408 3.92978 7.6741 13.8965 6.41193 numMergedOcc 0
40 mol 175 unq 1 iso 0 dist 9.02096 13.6066 8.0154 11.9733 8.31961 8.68081 3.92978 7.6741 13.8965 10.568 numMergedOcc 0
41 mol 184 unq 0 iso 0 dist 9.66132 5.35732 8.77887 6.55873 9.05835 5.16512 4.57656 9.12454 8.36988 6.55448 numMergedOcc 0
42 mol 218 unq 0 iso 0 dist 5.8679 7.34507 8.86175 11.3148 9.06334 9.46742 10.7878 6.62738 9.9009 3.98561 numMergedOcc 0
43 mol 218 unq 1 iso 0 dist 5.8679 7.34507 8.86175 11.3148 9.06334 9.46742 9.19561 7.13254 11.0018 5.11748 numMergedOcc 0
44 mol 218 unq 2 iso 0 dist 5.8679 4.79566 6.29511 11.3148 9.06334 11.438 10.7878 6.62738 10.3884 3.98561 numMergedOcc 0
45 mol 218 unq 3 iso 0 dist 5.8679 4.79566 6.29511 11.3148 9.06334 11.438 9.19561 7.13254 11.2389 5.11748 numMergedOcc 0
