0 mol 2 unq 0 iso 0 dist 9.8324 14.0048 8.3726 21.0169 12.5823 8.38173 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 5.87633 6.73192 8.51428 11.1074 10.6532 7.66985 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 5.87633 5.83388 9.28621 11.1074 10.6532 9.17482 numMergedOcc 0
3 mol 28 unq 2 iso 0 dist 7.09381 5.83388 8.36195 11.1074 16.1107 9.17482 numMergedOcc 0
4 mol 28 unq 3 iso 0 dist 9.38747 16.276 8.94643 21.8116 12.471 9.17482 numMergedOcc 0
5 mol 28 unq 4 iso 0 dist 8.40467 7.431 8.92334 9.6867 6.67638 6.31089 numMergedOcc 0
6 mol 28 unq 5 iso 0 dist 8.40467 7.431 8.92334 5.13138 6.29954 7.07502 numMergedOcc 0
7 mol 28 unq 6 iso 0 dist 8.40467 7.431 8.92334 14.2228 13.0844 8.48468 numMergedOcc 0
8 mol 28 unq 7 iso 0 dist 8.48456 7.3517 8.09862 11.4496 11.2554 5.47728 numMergedOcc 0
9 mol 28 unq 8 iso 0 dist 8.48456 6.13016 8.89114 11.4496 11.2554 5.39651 numMergedOcc 0
10 mol 28 unq 9 iso 0 dist 7.24073 6.51048 8.97167 6.62196 5.6954 5.47728 numMergedOcc 0
11 mol 28 unq 10 iso 0 dist 7.24073 4.18951 8.8182 6.62196 5.6954 5.39651 numMergedOcc 0
12 mol 28 unq 11 iso 0 dist 8.99724 15.0049 8.94643 17.9599 12.471 9.17482 numMergedOcc 0
13 mol 34 unq 0 iso 0 dist 7.50918 6.64208 8.73053 11.4425 11.2712 9.31883 numMergedOcc 0
14 mol 34 unq 1 iso 0 dist 9.18907 6.64208 7.07087 11.4425 9.1555 9.31883 numMergedOcc 0
15 mol 43 unq 0 iso 0 dist 7.62469 6.1032 6.57978 12.0359 11.8732 9.82307 numMergedOcc 0
16 mol 48 unq 0 iso 0 dist 9.78023 11.213 9.55284 12.7976 10.8275 6.84514 numMergedOcc 0
17 mol 62 unq 0 iso 0 dist 9.60892 7.10506 8.96898 15.2257 9.11795 9.71949 numMergedOcc 0
18 mol 73 unq 0 iso 0 dist 6.7939 8.50831 7.9575 13.6282 9.94048 8.59337 numMergedOcc 0
19 mol 73 unq 1 iso 0 dist 6.85356 8.50831 5.88827 13.6282 6.88106 8.59337 numMergedOcc 0
20 mol 73 unq 2 iso 0 dist 6.85356 14.8359 9.66175 13.6282 6.88106 7.66942 numMergedOcc 0
21 mol 73 unq 3 iso 0 dist 8.44695 11.1595 7.9575 15.04 9.94048 8.59337 numMergedOcc 0
22 mol 73 unq 4 iso 0 dist 5.68894 10.3098 7.9575 8.0534 9.94048 8.59337 numMergedOcc 0
23 mol 73 unq 5 iso 0 dist 7.32265 10.3098 5.88827 8.0534 6.88106 8.59337 numMergedOcc 0
24 mol 73 unq 6 iso 0 dist 7.32265 6.35914 9.66175 8.0534 6.88106 7.66942 numMergedOcc 0
25 mol 131 unq 0 iso 0 dist 4.56886 7.67738 7.34765 9.13081 6.32847 4.48699 numMergedOcc 0
26 mol 147 unq 0 iso 0 dist 9.61 4.60169 7.4121 9.95533 9.74349 7.19893 numMergedOcc 0
27 mol 152 unq 0 iso 0 dist 9.54774 6.79695 8.52131 7.27943 13.3124 9.70575 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 7.6409 11.1208 8.35588 13.2633 5.74351 9.12783 numMergedOcc 0
29 mol 260 unq 0 iso 0 dist 8.13605 8.05498 4.76164 17.2497 11.851 9.25019 numMergedOcc 0
30 mol 260 unq 1 iso 0 dist 8.13605 8.05498 4.76164 10.4688 4.75467 4.64695 numMergedOcc 0
31 mol 269 unq 0 iso 0 dist 7.76667 4.89258 9.20068 13.1503 12.556 9.73885 numMergedOcc 0
