0 mol 8 unq 0 iso 0 dist 7.58816 8.79328 4.92734 12.0906 7.77271 4.85329 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 7.58816 4.45895 6.26138 12.0906 7.77271 10.8135 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 7.58816 8.5845 6.57999 12.0906 7.77271 12.9498 numMergedOcc 0
3 mol 18 unq 0 iso 0 dist 8.24798 4.25207 6.39243 4.49033 8.95294 7.04695 numMergedOcc 0
4 mol 18 unq 1 iso 0 dist 8.02079 4.25207 9.1715 4.49033 7.19022 7.04695 numMergedOcc 0
5 mol 45 unq 0 iso 0 dist 8.66843 5.68664 9.17045 6.13812 7.62709 7.39653 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 8.34361 13.2619 6.54183 8.98505 8.41365 10.1332 numMergedOcc 0
7 mol 61 unq 0 iso 0 dist 9.91313 7.49081 9.70415 15.8729 8.68888 17.9693 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.03472 4.56886 5.90776 14.1474 7.36397 12.219 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 9.03472 4.56886 5.90776 12.8333 6.58062 9.97281 numMergedOcc 0
10 mol 92 unq 2 iso 0 dist 9.40274 5.1219 5.90776 15.6773 7.36397 12.219 numMergedOcc 0
11 mol 92 unq 3 iso 0 dist 9.40274 5.1219 5.90776 14.5544 6.58062 9.97281 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 5.87592 6.59772 8.97043 5.46352 8.77794 10.8292 numMergedOcc 0
13 mol 115 unq 1 iso 0 dist 8.37388 4.86477 8.97043 10.3995 8.77794 10.8292 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 8.53875 12.0003 7.97349 8.66026 8.12409 5.76709 numMergedOcc 0
15 mol 154 unq 0 iso 0 dist 6.59749 5.88662 8.34737 6.28784 9.39643 5.83431 numMergedOcc 0
16 mol 154 unq 1 iso 0 dist 6.59749 5.66224 8.5163 6.28784 9.39643 10.0744 numMergedOcc 0
17 mol 172 unq 0 iso 0 dist 9.41172 4.70355 7.34586 10.1945 9.4252 9.82019 numMergedOcc 0
18 mol 172 unq 1 iso 0 dist 8.2809 8.26604 9.54849 13.7357 8.52605 9.39167 numMergedOcc 0
19 mol 172 unq 2 iso 0 dist 8.2809 4.70355 5.5139 13.7357 8.52605 9.12206 numMergedOcc 0
20 mol 195 unq 0 iso 0 dist 9.39697 8.95444 8.3705 4.04021 9.75763 6.08211 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 7.32196 3.59583 7.20244 4.81145 6.19514 7.10564 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 7.91992 10.8591 7.07459 4.29127 8.62043 8.34559 numMergedOcc 0
23 mol 279 unq 0 iso 0 dist 8.8643 7.84864 8.68797 10.2396 8.50767 7.69081 numMergedOcc 0
24 mol 279 unq 1 iso 0 dist 9.24895 4.79698 5.70546 6.13953 6.10834 5.34838 numMergedOcc 0
25 mol 279 unq 2 iso 0 dist 8.34154 10.5081 5.70546 6.7711 6.10834 5.34838 numMergedOcc 0
26 mol 279 unq 3 iso 0 dist 5.90456 11.6042 8.68797 6.7711 8.50767 7.69081 numMergedOcc 0
