0 mol 28 unq 0 iso 0 dist 7.43758 4.24515 8.24422 11.8051 10.5266 9.05939 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 7.43758 5.03315 8.99724 11.8051 10.5266 9.38747 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 7.65602 12.428 9.46895 18.0236 13.7123 7.13608 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 9.19382 7.38136 8.3814 12.6522 6.20749 7.97386 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 7.49861 4.69203 5.45684 6.2165 5.8441 7.76644 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 7.49861 5.59746 7.66372 6.2165 5.8441 9.99743 numMergedOcc 0
6 mol 64 unq 2 iso 0 dist 6.2165 4.69203 7.76644 7.49861 5.8441 5.45684 numMergedOcc 0
7 mol 64 unq 3 iso 0 dist 6.2165 5.59746 9.99743 7.49861 5.8441 7.66372 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 6.40355 6.87344 9.225 12.2212 8.15383 9.52666 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 8.04448 6.38409 4.3521 12.2487 5.4823 6.62952 numMergedOcc 0
10 mol 99 unq 0 iso 0 dist 7.09617 14.3576 9.39801 11.6889 4.8794 6.02154 numMergedOcc 0
11 mol 99 unq 1 iso 0 dist 7.09617 4.95662 4.82346 11.6889 4.8794 8.07233 numMergedOcc 0
12 mol 125 unq 0 iso 0 dist 8.12448 4.2009 8.48363 11.1432 10.6764 8.75402 numMergedOcc 0
13 mol 151 unq 0 iso 0 dist 9.39452 14.3657 5.89468 16.0671 8.30648 9.79321 numMergedOcc 0
14 mol 156 unq 0 iso 0 dist 9.13184 4.20708 5.50879 7.27593 11.1396 6.69157 numMergedOcc 0
15 mol 156 unq 1 iso 0 dist 7.27593 4.20708 6.69157 9.13184 11.1396 5.50879 numMergedOcc 0
16 mol 162 unq 0 iso 0 dist 9.32658 11.9416 7.08934 15.1886 6.25764 9.43135 numMergedOcc 0
17 mol 172 unq 0 iso 0 dist 9.41172 4.73085 7.44084 8.2809 5.65773 5.28889 numMergedOcc 0
18 mol 172 unq 1 iso 0 dist 9.41172 12.2355 7.77643 8.2809 5.65773 4.90175 numMergedOcc 0
19 mol 172 unq 2 iso 0 dist 8.2809 4.73085 5.28889 9.41172 5.65773 7.44084 numMergedOcc 0
20 mol 172 unq 3 iso 0 dist 8.2809 12.2355 4.90175 9.41172 5.65773 7.77643 numMergedOcc 0
21 mol 173 unq 0 iso 0 dist 4.93595 5.64974 8.44321 11.7089 10.6362 8.32987 numMergedOcc 0
22 mol 209 unq 0 iso 0 dist 9.39076 8.27556 8.78565 11.7701 6.11542 8.8886 numMergedOcc 0
23 mol 230 unq 0 iso 0 dist 8.95575 3.97555 9.32781 11.2285 10.6003 7.66323 numMergedOcc 0
24 mol 273 unq 0 iso 0 dist 9.40631 6.27821 7.346 11.2492 6.91672 7.84151 numMergedOcc 0
25 mol 273 unq 1 iso 0 dist 9.83374 5.87385 7.84151 5.97798 6.91672 7.346 numMergedOcc 0
26 mol 273 unq 2 iso 0 dist 5.97798 5.87385 7.346 9.83374 6.91672 7.84151 numMergedOcc 0
27 mol 273 unq 3 iso 0 dist 5.75335 3.92089 7.84151 8.76527 6.91672 7.346 numMergedOcc 0
28 mol 273 unq 4 iso 0 dist 8.76527 3.92089 7.346 5.75335 6.91672 7.84151 numMergedOcc 0
29 mol 277 unq 0 iso 0 dist 8.12461 8.61682 7.25282 15.0107 11.8204 6.40125 numMergedOcc 0
30 mol 277 unq 1 iso 0 dist 9.027 4.80425 7.25282 10.5382 11.8204 6.40125 numMergedOcc 0
31 mol 277 unq 2 iso 0 dist 7.91992 9.70521 6.40125 16.3394 11.8204 7.25282 numMergedOcc 0
