0 mol 13 unq 0 iso 0 dist 6.80844 5.07585 6.02651 6.39939 9.65051 10.4833 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 7.43758 4.24515 8.24422 4.141 9.86409 5.81701 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 7.43758 5.03315 8.99724 4.141 9.86409 8.89091 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 4.09276 5.47588 8.67141 4.71264 6.67079 4.57655 numMergedOcc 0
4 mol 32 unq 1 iso 0 dist 7.65602 12.428 9.46895 5.98304 6.19304 12.7517 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 5.68877 5.70643 4.50643 9.52807 8.71284 11.137 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 8.34361 14.1632 6.29755 14.9943 9.57335 9.58891 numMergedOcc 0
7 mol 54 unq 1 iso 0 dist 8.34361 14.1632 6.29755 11.5332 8.60653 11.1253 numMergedOcc 0
8 mol 54 unq 2 iso 0 dist 8.34361 15.4599 7.4038 14.9943 9.57335 7.573 numMergedOcc 0
9 mol 54 unq 3 iso 0 dist 8.34361 15.4599 7.4038 11.5332 8.60653 10.063 numMergedOcc 0
10 mol 61 unq 0 iso 0 dist 9.91313 12.5852 7.77128 11.5851 5.67362 5.04866 numMergedOcc 0
11 mol 76 unq 0 iso 0 dist 6.40355 6.87344 9.225 5.53482 4.73362 4.98309 numMergedOcc 0
12 mol 76 unq 1 iso 0 dist 6.40355 6.87344 9.225 5.26304 9.61367 10.7367 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 8.04448 6.38409 4.3521 17.0849 9.40173 12.2431 numMergedOcc 0
14 mol 154 unq 0 iso 0 dist 8.40395 4.10702 6.86189 5.80716 5.76862 4.97346 numMergedOcc 0
15 mol 154 unq 1 iso 0 dist 8.40395 4.10702 6.86189 11.2839 5.92763 8.02758 numMergedOcc 0
16 mol 154 unq 2 iso 0 dist 8.5081 11.6037 6.86189 9.10645 5.76862 4.97346 numMergedOcc 0
17 mol 154 unq 3 iso 0 dist 8.5081 11.6037 6.86189 4.02111 5.92763 8.02758 numMergedOcc 0
18 mol 156 unq 0 iso 0 dist 9.13184 4.20708 5.50879 6.11369 8.32841 5.6621 numMergedOcc 0
19 mol 156 unq 1 iso 0 dist 9.13184 4.20708 5.50879 8.26792 6.00295 6.65278 numMergedOcc 0
20 mol 156 unq 2 iso 0 dist 7.27593 4.20708 6.69157 4.33572 6.10069 7.27063 numMergedOcc 0
21 mol 156 unq 3 iso 0 dist 7.27593 4.20708 6.69157 6.11369 6.56065 5.6621 numMergedOcc 0
22 mol 162 unq 0 iso 0 dist 9.32658 11.9416 7.08934 4.7671 7.64707 8.86946 numMergedOcc 0
23 mol 162 unq 1 iso 0 dist 9.32658 10.5412 8.87346 4.7671 7.64707 6.36597 numMergedOcc 0
24 mol 233 unq 0 iso 0 dist 7.44436 6.68842 9.53639 4.73615 8.76329 6.33637 numMergedOcc 0
25 mol 233 unq 1 iso 0 dist 7.44436 6.68842 9.53639 7.68189 9.91906 4.21435 numMergedOcc 0
26 mol 241 unq 0 iso 0 dist 7.30582 8.94039 8.00841 10.7816 9.14228 9.30696 numMergedOcc 0
27 mol 241 unq 1 iso 0 dist 9.69499 7.36342 7.91178 14.8485 9.04127 9.39021 numMergedOcc 0
28 mol 241 unq 2 iso 0 dist 7.44279 3.97384 7.91178 9.73806 9.04127 9.39021 numMergedOcc 0
29 mol 244 unq 0 iso 0 dist 9.16789 4.30655 6.2667 9.01951 5.60146 4.89551 numMergedOcc 0
30 mol 244 unq 1 iso 0 dist 8.19381 8.49995 6.2667 4.38246 5.60146 4.89551 numMergedOcc 0
31 mol 256 unq 0 iso 0 dist 8.88264 4.47286 9.92947 12.1216 9.31961 9.96775 numMergedOcc 0
32 mol 273 unq 0 iso 0 dist 9.83374 5.87385 7.84151 14.6007 8.16005 11.4694 numMergedOcc 0
33 mol 273 unq 1 iso 0 dist 9.83374 14.3152 7.85797 14.6007 8.16005 4.73332 numMergedOcc 0
34 mol 273 unq 2 iso 0 dist 5.75335 3.92089 7.84151 7.55971 8.16005 11.4694 numMergedOcc 0
35 mol 273 unq 3 iso 0 dist 5.75335 9.51983 7.85797 7.55971 8.16005 4.73332 numMergedOcc 0
36 mol 277 unq 0 iso 0 dist 7.91992 9.70521 6.40125 4.60075 7.88238 11.8 numMergedOcc 0
37 mol 279 unq 0 iso 0 dist 7.35799 12.7379 8.51994 8.34527 7.10052 8.632 numMergedOcc 0
38 mol 280 unq 0 iso 0 dist 4.26671 4.65268 6.38295 8.48093 9.55885 12.6793 numMergedOcc 0
39 mol 292 unq 0 iso 0 dist 9.86767 10.3798 9.60309 11.3062 8.18174 5.09064 numMergedOcc 0
