0 mol 9 unq 0 iso 0 dist 7.95202 4.75933 6.9513 10.8001 6.27573 7.2199 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 7.95202 4.75933 6.9513 6.75249 5.63132 9.16116 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 7.95202 4.75933 6.9513 12.4057 12.6338 8.47109 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 6.21942 6.35665 6.9513 10.7994 6.27573 7.2199 numMergedOcc 0
4 mol 9 unq 4 iso 0 dist 6.21942 6.35665 6.9513 6.38082 5.63132 9.16116 numMergedOcc 0
5 mol 9 unq 5 iso 0 dist 6.21942 6.35665 6.9513 11.266 12.6338 8.47109 numMergedOcc 0
6 mol 9 unq 6 iso 0 dist 6.75249 4.75933 9.16116 10.8001 11.1737 7.2199 numMergedOcc 0
7 mol 9 unq 7 iso 0 dist 6.75249 4.75933 9.16116 7.95202 5.63132 6.9513 numMergedOcc 0
8 mol 9 unq 8 iso 0 dist 6.75249 4.75933 9.16116 12.4057 16.406 8.47109 numMergedOcc 0
9 mol 9 unq 9 iso 0 dist 6.38082 6.35665 9.16116 10.7994 11.1737 7.2199 numMergedOcc 0
10 mol 9 unq 10 iso 0 dist 6.38082 6.35665 9.16116 6.21942 5.63132 6.9513 numMergedOcc 0
11 mol 9 unq 11 iso 0 dist 6.38082 6.35665 9.16116 11.266 16.406 8.47109 numMergedOcc 0
12 mol 34 unq 0 iso 0 dist 9.4815 9.12499 8.55901 11.5694 10.3706 9.03412 numMergedOcc 0
13 mol 99 unq 0 iso 0 dist 9.74768 4.54208 7.12746 11.1772 6.66417 6.6925 numMergedOcc 0
14 mol 105 unq 0 iso 0 dist 9.79476 4.39332 6.52726 9.19038 10.882 9.12363 numMergedOcc 0
15 mol 105 unq 1 iso 0 dist 9.79476 4.39332 6.52726 5.74995 11.3312 6.50017 numMergedOcc 0
16 mol 105 unq 2 iso 0 dist 5.74995 4.39332 6.50017 9.79476 11.3312 6.52726 numMergedOcc 0
17 mol 105 unq 3 iso 0 dist 5.74995 4.39332 6.50017 9.19038 5.27191 9.12363 numMergedOcc 0
18 mol 114 unq 0 iso 0 dist 9.29144 4.34088 9.49413 13.8136 12.0339 9.86739 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 9.36283 5.39389 7.99631 9.95565 9.37623 6.40036 numMergedOcc 0
20 mol 140 unq 0 iso 0 dist 7.59889 10.1479 5.63811 16.8989 10.1725 7.49546 numMergedOcc 0
21 mol 141 unq 0 iso 0 dist 7.6461 4.41049 6.2135 12.1683 10.8776 8.55681 numMergedOcc 0
22 mol 141 unq 1 iso 0 dist 7.1093 12.3074 6.2135 16.6773 10.8776 8.55681 numMergedOcc 0
23 mol 141 unq 2 iso 0 dist 7.36421 9.581 6.2135 13.4091 10.8776 8.55681 numMergedOcc 0
24 mol 213 unq 0 iso 0 dist 8.6925 9.26051 8.74171 11.795 7.39803 6.85195 numMergedOcc 0
25 mol 218 unq 0 iso 0 dist 8.03194 4.40481 6.75035 11.7597 8.16398 8.57853 numMergedOcc 0
26 mol 225 unq 0 iso 0 dist 8.94219 4.42378 8.75834 10.5309 14.0478 7.51827 numMergedOcc 0
27 mol 225 unq 1 iso 0 dist 7.21089 15.3506 8.75834 22.8452 15.6443 9.36396 numMergedOcc 0
28 mol 234 unq 0 iso 0 dist 6.553 12.2893 8.49841 10.8407 10.9755 9.6101 numMergedOcc 0
29 mol 238 unq 0 iso 0 dist 9.13022 12.618 6.5772 9.9648 5.44694 6.65088 numMergedOcc 0
30 mol 238 unq 1 iso 0 dist 9.13022 12.618 6.5772 14.8865 6.32518 8.70193 numMergedOcc 0
31 mol 238 unq 2 iso 0 dist 9.13022 12.618 6.5772 10.8178 9.50847 6.17025 numMergedOcc 0
32 mol 238 unq 3 iso 0 dist 9.13022 12.618 6.5772 15.6906 14.4744 9.0378 numMergedOcc 0
33 mol 243 unq 0 iso 0 dist 8.08534 6.01814 8.93338 11.3633 8.07376 9.1101 numMergedOcc 0
34 mol 250 unq 0 iso 0 dist 9.7235 7.10297 8.86638 10.0061 4.81479 5.94383 numMergedOcc 0
35 mol 250 unq 1 iso 0 dist 9.7235 7.10297 8.86638 14.5241 9.82907 8.16469 numMergedOcc 0
