0 mol 8 unq 0 iso 0 dist 7.58816 4.97265 5.41248 8.79328 4.92734 7.36147 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 7.58816 4.97265 5.41248 4.45895 6.26138 7.04632 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 7.58816 4.97265 5.41248 8.5845 6.57999 10.1093 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 8.34361 14.1632 6.29755 13.2619 6.54183 5.58127 numMergedOcc 0
4 mol 54 unq 1 iso 0 dist 8.34361 15.4599 7.4038 13.2619 6.54183 5.54544 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 9.91313 12.5852 7.77128 7.49081 9.70415 16.1373 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 6.40355 6.87344 9.225 10.1498 8.41567 6.80777 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 6.40355 6.87344 9.225 4.57694 5.56964 9.95835 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 8.04448 6.38409 4.3521 8.91618 6.78839 4.75433 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 8.04448 6.38409 4.3521 14.8024 8.02354 11.5098 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 5.87592 4.64507 9.47253 6.59772 8.97043 10.1455 numMergedOcc 0
11 mol 115 unq 1 iso 0 dist 8.37388 6.90898 9.47253 4.86477 8.97043 10.1455 numMergedOcc 0
12 mol 125 unq 0 iso 0 dist 8.12448 4.2009 8.48363 4.71345 6.03557 6.10523 numMergedOcc 0
13 mol 129 unq 0 iso 0 dist 9.66828 7.7205 7.26325 7.59962 6.23966 5.12351 numMergedOcc 0
14 mol 154 unq 0 iso 0 dist 6.59749 8.04261 4.62366 5.88662 8.34737 8.32419 numMergedOcc 0
15 mol 154 unq 1 iso 0 dist 6.59749 8.04261 4.62366 5.66224 8.5163 6.47339 numMergedOcc 0
16 mol 155 unq 0 iso 0 dist 6.80942 4.90139 8.3622 4.94973 5.68636 8.78324 numMergedOcc 0
17 mol 172 unq 0 iso 0 dist 9.41172 12.9865 9.21942 4.70355 7.34586 12.8236 numMergedOcc 0
18 mol 172 unq 1 iso 0 dist 9.41172 4.73085 7.44084 4.70355 7.34586 5.79462 numMergedOcc 0
19 mol 172 unq 2 iso 0 dist 9.41172 12.2355 7.77643 4.70355 7.34586 8.10512 numMergedOcc 0
20 mol 172 unq 3 iso 0 dist 8.2809 4.73085 5.28889 8.26604 9.54849 10.0276 numMergedOcc 0
21 mol 172 unq 4 iso 0 dist 8.2809 4.73085 5.28889 4.70355 5.5139 5.79462 numMergedOcc 0
22 mol 172 unq 5 iso 0 dist 8.2809 12.2355 4.90175 8.26604 9.54849 10.6482 numMergedOcc 0
23 mol 172 unq 6 iso 0 dist 8.2809 12.2355 4.90175 4.70355 5.5139 8.10512 numMergedOcc 0
24 mol 218 unq 0 iso 0 dist 7.43427 4.32641 9.11823 5.53181 4.851 5.97687 numMergedOcc 0
25 mol 218 unq 1 iso 0 dist 7.50841 5.84356 9.11823 5.02331 4.851 5.97687 numMergedOcc 0
26 mol 230 unq 0 iso 0 dist 8.95575 3.97555 9.32781 8.898 5.62804 9.33469 numMergedOcc 0
27 mol 230 unq 1 iso 0 dist 8.95575 3.97555 9.32781 12.5509 9.3619 14.1107 numMergedOcc 0
28 mol 238 unq 0 iso 0 dist 5.83646 5.64173 7.75366 5.60375 4.87108 10.3683 numMergedOcc 0
29 mol 238 unq 1 iso 0 dist 5.83646 5.64173 7.75366 6.45589 7.64276 10.313 numMergedOcc 0
30 mol 241 unq 0 iso 0 dist 7.30582 8.94039 8.00841 11.3529 8.98668 12.7003 numMergedOcc 0
31 mol 250 unq 0 iso 0 dist 8.52434 14.6432 8.59384 5.45802 7.63152 15.7949 numMergedOcc 0
32 mol 250 unq 1 iso 0 dist 8.63767 16.6108 8.59384 3.78208 7.63152 15.7949 numMergedOcc 0
33 mol 256 unq 0 iso 0 dist 8.88264 4.47286 9.92947 6.4717 5.98967 4.85574 numMergedOcc 0
34 mol 258 unq 0 iso 0 dist 6.41167 5.66907 8.73425 7.52881 8.21585 5.90131 numMergedOcc 0
35 mol 258 unq 1 iso 0 dist 6.41167 9.6053 9.65711 7.52881 8.21585 4.51422 numMergedOcc 0
36 mol 276 unq 0 iso 0 dist 9.51947 5.20175 5.54217 4.80779 9.64575 4.97852 numMergedOcc 0
37 mol 276 unq 1 iso 0 dist 8.9021 4.13451 5.54217 6.32567 9.64575 4.97852 numMergedOcc 0
38 mol 277 unq 0 iso 0 dist 8.12461 8.61682 7.25282 5.58906 8.82899 8.31543 numMergedOcc 0
39 mol 277 unq 1 iso 0 dist 9.027 4.80425 7.25282 4.84657 8.82899 8.31543 numMergedOcc 0
40 mol 277 unq 2 iso 0 dist 7.91992 9.70521 6.40125 10.8591 7.07459 12.8864 numMergedOcc 0
41 mol 280 unq 0 iso 0 dist 4.26671 4.65268 6.38295 10.0206 8.80588 8.26589 numMergedOcc 0
