0 mol 7 unq 0 iso 0 dist 6.22892 15.5737 9.68596 14.422 9.0379 6.7985 10.9229 5.03847 6.14469 8.43473 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.83658 4.91115 6.02702 13.5317 11.8172 8.72114 9.89388 6.55304 6.14469 6.34041 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 6.22805 13.6771 8.72114 16.6563 11.8172 6.02702 12.0954 6.34041 6.14469 6.55304 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 9.4523 14.5187 8.64915 15.9615 10.5747 7.32257 14.1991 4.98827 7.35972 8.50424 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 9.4523 14.5187 8.64915 10.2649 5.06358 6.55811 14.1991 4.98827 7.35972 6.02809 numMergedOcc 0
5 mol 9 unq 2 iso 0 dist 9.4523 10.6489 8.17347 10.2649 5.06358 7.36018 14.1991 4.98827 9.93542 6.02809 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 8.18518 10.5195 6.41575 12.9091 5.80928 6.41423 12.8718 9.74255 9.95212 7.08342 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 6.85331 12.8157 7.29868 21.1799 15.5315 8.4051 13.4332 6.66749 6.72323 12.176 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 6.85331 12.8157 7.29868 10.4452 10.0952 8.60554 13.4332 6.66749 6.72323 14.012 numMergedOcc 0
9 mol 24 unq 2 iso 0 dist 6.35095 10.9987 6.73939 17.6 11.4989 9.41441 10.3893 6.56748 5.95834 12.2662 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 6.35095 10.9987 6.73939 17.6 11.4989 9.41441 10.2645 4.50066 4.2121 8.67951 numMergedOcc 0
11 mol 24 unq 4 iso 0 dist 6.35095 10.9987 6.73939 17.6 11.4989 9.41441 17.8421 11.9112 8.00171 4.32034 numMergedOcc 0
12 mol 24 unq 5 iso 0 dist 6.35095 10.9987 6.73939 17.6 11.4989 9.41441 9.89331 5.11617 6.72323 8.52463 numMergedOcc 0
13 mol 25 unq 0 iso 0 dist 8.23292 14.4951 7.45383 17.4517 10.9391 6.16347 11.6867 5.77929 6.25843 6.08585 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 8.20865 9.83193 7.5242 14.7527 12.7411 5.78706 7.98039 10.4027 7.14031 11.3905 numMergedOcc 0
15 mol 98 unq 1 iso 0 dist 8.20865 9.83193 7.5242 15.0468 9.30161 7.23884 7.98039 10.4027 7.14031 14.2646 numMergedOcc 0
16 mol 98 unq 2 iso 0 dist 8.20865 9.83193 7.5242 9.49799 7.72877 5.59328 7.98039 10.4027 7.14031 4.67519 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 7.97208 15.4716 7.80532 11.8406 5.79898 5.83771 10.8422 5.71679 6.40575 4.60632 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 8.89538 16.6173 8.67864 15.5527 8.87326 8.94014 14.1787 7.95232 5.92374 5.50308 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 8.89538 16.6173 8.67864 13.8505 5.31152 7.02333 14.1787 7.95232 5.92374 7.11984 numMergedOcc 0
20 mol 271 unq 0 iso 0 dist 8.32351 6.38496 8.98576 12.4662 7.04094 8.92636 5.75889 5.53238 5.92274 9.1619 numMergedOcc 0
21 mol 273 unq 0 iso 0 dist 6.54753 7.10817 8.83865 10.3482 5.96724 9.18157 12.7295 12.0136 7.16346 12.1851 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 9.81087 13.6675 7.46394 20.1235 10.501 9.45514 19.3936 11.1602 7.75216 6.52035 numMergedOcc 0
23 mol 274 unq 1 iso 0 dist 9.81087 13.6675 7.46394 20.5454 14.3919 8.91672 19.3936 11.1602 7.75216 5.58338 numMergedOcc 0
24 mol 274 unq 2 iso 0 dist 9.81087 13.6675 7.46394 15.0228 6.15918 7.1729 19.3936 11.1602 7.75216 5.71192 numMergedOcc 0
25 mol 274 unq 3 iso 0 dist 9.79674 7.28382 8.91672 10.3113 14.3919 7.46394 11.2878 5.58338 7.75216 11.1602 numMergedOcc 0
26 mol 274 unq 4 iso 0 dist 9.79674 7.28382 8.91672 15.4388 11.7196 9.45514 11.2878 5.58338 7.75216 6.52035 numMergedOcc 0
27 mol 274 unq 5 iso 0 dist 9.79674 7.28382 8.91672 10.3376 10.0083 7.1729 11.2878 5.58338 7.75216 5.71192 numMergedOcc 0
