0 mol 0 unq 0 iso 0 dist 9.5042 6.44948 5.16658 8.27602 9.94405 5.56852 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.5042 6.44948 5.16658 8.95894 9.48325 4.78688 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.52614 6.87871 10.4854 9.45239 5.74823 9.36867 numMergedOcc 0
3 mol 110 unq 0 iso 0 dist 7.24538 7.21229 12.0587 9.24252 4.34447 12.6633 numMergedOcc 0
4 mol 110 unq 1 iso 0 dist 7.24538 5.25492 8.6616 9.24252 4.34447 8.4494 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 9.95698 9.42766 7.09701 7.14258 7.30818 8.84069 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 6.00391 8.54461 9.38606 8.15289 5.29138 10.0101 numMergedOcc 0
7 mol 130 unq 1 iso 0 dist 6.00391 7.83619 11.8666 8.15289 5.29138 10.4339 numMergedOcc 0
8 mol 130 unq 2 iso 0 dist 9.70695 8.54461 6.33857 8.15289 13.2681 10.0101 numMergedOcc 0
9 mol 130 unq 3 iso 0 dist 9.70695 7.83619 5.15286 8.15289 13.2681 10.4339 numMergedOcc 0
10 mol 178 unq 0 iso 0 dist 7.69328 8.0974 15.6558 7.97 12.0486 9.4452 numMergedOcc 0
11 mol 178 unq 1 iso 0 dist 7.69328 8.0974 15.6558 6.95432 13.4282 6.42973 numMergedOcc 0
12 mol 178 unq 2 iso 0 dist 7.69328 8.0974 15.6558 9.32853 12.035 10.8373 numMergedOcc 0
13 mol 183 unq 0 iso 0 dist 8.74697 7.31181 14.6339 8.41645 4.59503 12.5823 numMergedOcc 0
14 mol 207 unq 0 iso 0 dist 9.09845 8.09522 4.93599 6.06003 10.9574 8.23012 numMergedOcc 0
15 mol 207 unq 1 iso 0 dist 9.09845 5.08312 9.64674 6.06003 10.9574 4.56899 numMergedOcc 0
16 mol 207 unq 2 iso 0 dist 9.50021 8.09522 8.22629 6.06003 9.63901 8.23012 numMergedOcc 0
17 mol 207 unq 3 iso 0 dist 9.50021 5.08312 10.9115 6.06003 9.63901 4.56899 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 9.58724 7.31105 4.90657 7.27248 8.30031 9.9903 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 5.90784 9.33771 14.2632 8.96784 13.8957 5.72475 numMergedOcc 0
20 mol 224 unq 1 iso 0 dist 5.90784 7.39839 13.2364 8.96784 13.8957 4.7981 numMergedOcc 0
21 mol 224 unq 2 iso 0 dist 8.50322 9.33771 9.59595 8.96784 5.96427 5.72475 numMergedOcc 0
22 mol 224 unq 3 iso 0 dist 8.50322 7.39839 9.40389 8.96784 5.96427 4.7981 numMergedOcc 0
23 mol 229 unq 0 iso 0 dist 9.92855 9.84492 7.49004 8.70717 6.42629 4.17276 numMergedOcc 0
24 mol 236 unq 0 iso 0 dist 7.34709 8.77254 10.6351 6.92437 11.1603 4.66414 numMergedOcc 0
25 mol 236 unq 1 iso 0 dist 7.34709 9.96976 12.8976 6.92437 11.1603 4.04895 numMergedOcc 0
26 mol 273 unq 0 iso 0 dist 7.70185 7.89852 11.2887 9.45329 16.117 8.81454 numMergedOcc 0
27 mol 273 unq 1 iso 0 dist 7.97117 8.90885 13.4309 5.63226 8.83577 12.634 numMergedOcc 0
28 mol 273 unq 2 iso 0 dist 7.97117 9.96963 11.2887 5.63226 8.83577 14.4568 numMergedOcc 0
29 mol 279 unq 0 iso 0 dist 9.77593 8.13489 10.2086 8.16952 5.10922 8.4236 numMergedOcc 0
