0 mol 43 unq 0 iso 0 dist 9.23033 6.6796 6.6263 13.3486 5.41726 8.80331 15.6691 13.07 10.4442 9.83618 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 9.23033 10.2523 6.75943 13.3486 5.41726 6.20293 15.6691 13.07 9.49077 9.83618 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 9.86502 7.06403 7.66093 12.2812 7.07356 9.78528 7.35365 9.437 6.11922 7.321 numMergedOcc 0
3 mol 88 unq 0 iso 0 dist 6.89706 6.07226 7.80898 14.6182 12.1193 9.36773 10.7438 12.9048 6.95868 9.2603 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 9.48388 7.72576 7.06939 13.6446 4.3481 9.33898 16.7887 10.5758 10.9701 8.36431 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 8.32738 5.78906 6.04595 11.1013 5.03039 7.30858 16.2743 13.0432 11.3902 8.66155 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 6.98077 5.50335 6.93139 10.0634 4.97996 8.70949 12.9354 10.1252 8.84655 6.89257 numMergedOcc 0
7 mol 130 unq 1 iso 0 dist 6.98077 5.50335 6.93139 10.0634 4.97996 8.70949 9.67139 10.5067 6.76754 8.74308 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 8.78112 9.66339 8.9192 9.10619 4.84714 8.56324 10.5988 12.0501 5.99333 9.13561 numMergedOcc 0
9 mol 178 unq 0 iso 0 dist 6.95432 12.2822 7.06025 8.0974 6.42973 6.69288 11.6559 12.6109 10.5783 8.96511 numMergedOcc 0
10 mol 222 unq 0 iso 0 dist 5.07975 5.66819 5.56538 11.0097 6.84862 7.21333 15.7788 11.8745 12.2813 6.82208 numMergedOcc 0
11 mol 222 unq 1 iso 0 dist 4.85015 5.66819 7.48954 11.0097 9.53117 7.21333 15.7788 12.9858 12.2813 6.82208 numMergedOcc 0
12 mol 224 unq 0 iso 0 dist 8.83742 10.9485 8.08349 12.5309 5.13732 6.61986 12.8297 5.73591 10.7113 8.19953 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 6.83837 7.34986 9.08509 10.5481 12.7938 6.22714 5.05105 5.43613 5.17471 7.49471 numMergedOcc 0
14 mol 238 unq 1 iso 0 dist 6.83837 7.34986 9.08509 11.963 11.0772 7.31233 16.6988 14.4363 10.4664 6.55759 numMergedOcc 0
15 mol 238 unq 2 iso 0 dist 6.83837 7.34986 9.08509 11.963 11.0772 7.31233 14.9578 10.529 11.2717 7.02475 numMergedOcc 0
16 mol 238 unq 3 iso 0 dist 6.83837 7.34986 9.08509 11.963 11.0772 7.31233 14.1259 9.99105 12.6986 7.67322 numMergedOcc 0
17 mol 238 unq 4 iso 0 dist 6.83837 7.34986 9.08509 11.963 11.0772 7.31233 5.05105 5.43613 5.17471 7.19008 numMergedOcc 0
18 mol 248 unq 0 iso 0 dist 7.90773 4.53213 9.05018 8.71859 4.58289 7.69895 4.11367 5.0345 6.48757 6.07192 numMergedOcc 0
