0 mol 10 unq 0 iso 0 dist 9.03002 9.6309 6.45295 9.23414 6.06897 3.3748 numMergedOcc 0
1 mol 10 unq 0 iso 1 dist 9.03002 9.23414 6.06897 9.6309 6.45295 3.3748 numMergedOcc 0
2 mol 10 unq 1 iso 0 dist 9.07663 8.44792 9.90599 4.94198 6.28462 8.45469 numMergedOcc 0
3 mol 10 unq 1 iso 1 dist 9.07663 4.94198 6.28462 8.44792 9.90599 8.45469 numMergedOcc 0
4 mol 10 unq 2 iso 0 dist 9.07663 8.44792 9.90599 9.62353 12.3985 16.6607 numMergedOcc 0
5 mol 10 unq 2 iso 1 dist 9.07663 9.62353 12.3985 8.44792 9.90599 16.6607 numMergedOcc 0
6 mol 10 unq 2 iso 0 dist 9.07663 4.94198 6.28462 9.62353 12.3985 8.52733 numMergedOcc 0
7 mol 10 unq 2 iso 1 dist 9.07663 9.62353 12.3985 4.94198 6.28462 8.52733 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 6.89136 8.97566 3.98709 8.81085 10.394 9.30148 numMergedOcc 0
9 mol 26 unq 0 iso 1 dist 6.89136 8.81085 10.394 8.97566 3.98709 9.30148 numMergedOcc 0
10 mol 59 unq 0 iso 0 dist 9.59244 4.90216 11.6713 9.84217 3.88148 10.472 numMergedOcc 0
11 mol 59 unq 0 iso 1 dist 9.59244 9.84217 3.88148 4.90216 11.6713 10.472 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 8.4545 7.29864 11.3522 7.7399 12.2908 11.8229 numMergedOcc 0
13 mol 92 unq 0 iso 1 dist 8.4545 7.7399 12.2908 7.29864 11.3522 11.8229 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 7.01176 7.29864 10.0591 7.7399 13.6054 11.8229 numMergedOcc 0
15 mol 92 unq 1 iso 1 dist 7.01176 7.7399 13.6054 7.29864 10.0591 11.8229 numMergedOcc 0
16 mol 92 unq 2 iso 0 dist 7.5819 7.33353 10.3949 8.55622 9.61344 3.20461 numMergedOcc 0
17 mol 92 unq 2 iso 1 dist 7.5819 8.55622 9.61344 7.33353 10.3949 3.20461 numMergedOcc 0
18 mol 129 unq 0 iso 0 dist 6.38163 7.04904 10.3933 5.06053 9.27274 3.11116 numMergedOcc 0
19 mol 129 unq 0 iso 1 dist 6.38163 5.06053 9.27274 7.04904 10.3933 3.11116 numMergedOcc 0
20 mol 169 unq 0 iso 0 dist 9.46833 7.50458 13.9883 5.79554 14.8937 5.23644 numMergedOcc 0
21 mol 169 unq 0 iso 1 dist 9.46833 5.79554 14.8937 7.50458 13.9883 5.23644 numMergedOcc 0
22 mol 169 unq 1 iso 0 dist 9.46833 7.50458 13.9883 4.22003 13.4235 7.52063 numMergedOcc 0
23 mol 169 unq 1 iso 1 dist 9.46833 4.22003 13.4235 7.50458 13.9883 7.52063 numMergedOcc 0
24 mol 169 unq 1 iso 0 dist 9.46833 5.79554 14.8937 4.22003 13.4235 3.74306 numMergedOcc 0
25 mol 169 unq 1 iso 1 dist 9.46833 4.22003 13.4235 5.79554 14.8937 3.74306 numMergedOcc 0
26 mol 176 unq 0 iso 0 dist 7.30954 8.51811 5.02061 7.26558 6.40668 3.17744 numMergedOcc 0
27 mol 176 unq 0 iso 1 dist 7.30954 7.26558 6.40668 8.51811 5.02061 3.17744 numMergedOcc 0
28 mol 180 unq 0 iso 0 dist 9.88732 7.58661 4.38407 6.53993 9.89998 5.64829 numMergedOcc 0
29 mol 180 unq 0 iso 1 dist 9.88732 6.53993 9.89998 7.58661 4.38407 5.64829 numMergedOcc 0
30 mol 180 unq 1 iso 0 dist 5.77949 5.81023 4.38407 8.4285 9.89998 5.64829 numMergedOcc 0
31 mol 180 unq 1 iso 1 dist 5.77949 8.4285 9.89998 5.81023 4.38407 5.64829 numMergedOcc 0
32 mol 180 unq 2 iso 0 dist 8.68403 7.80553 4.38407 8.39019 9.89998 5.64829 numMergedOcc 0
33 mol 180 unq 2 iso 1 dist 8.68403 8.39019 9.89998 7.80553 4.38407 5.64829 numMergedOcc 0
34 mol 183 unq 0 iso 0 dist 5.83071 8.00119 3.81942 5.50896 4.62251 4.68134 numMergedOcc 0
35 mol 183 unq 0 iso 1 dist 5.83071 5.50896 4.62251 8.00119 3.81942 4.68134 numMergedOcc 0
36 mol 183 unq 1 iso 0 dist 7.07224 8.00119 8.21023 5.50896 4.68341 4.68134 numMergedOcc 0
37 mol 183 unq 1 iso 1 dist 7.07224 5.50896 4.68341 8.00119 8.21023 4.68134 numMergedOcc 0
38 mol 183 unq 2 iso 0 dist 9.82101 8.00119 10.4469 5.50896 9.83938 4.68134 numMergedOcc 0
39 mol 183 unq 2 iso 1 dist 9.82101 5.50896 9.83938 8.00119 10.4469 4.68134 numMergedOcc 0
40 mol 186 unq 0 iso 0 dist 8.96988 6.99587 9.14919 4.37577 9.11577 3.09727 numMergedOcc 0
41 mol 186 unq 0 iso 1 dist 8.96988 4.37577 9.11577 6.99587 9.14919 3.09727 numMergedOcc 0
42 mol 210 unq 0 iso 0 dist 8.62103 9.49242 9.97638 9.25184 4.29623 12.017 numMergedOcc 0
43 mol 210 unq 0 iso 1 dist 8.62103 9.25184 4.29623 9.49242 9.97638 12.017 numMergedOcc 0
44 mol 244 unq 0 iso 0 dist 7.65388 5.16859 9.54706 4.79207 4.06591 5.86449 numMergedOcc 0
45 mol 244 unq 0 iso 1 dist 7.65388 4.79207 4.06591 5.16859 9.54706 5.86449 numMergedOcc 0
46 mol 277 unq 0 iso 0 dist 9.29635 5.11998 7.75371 5.79925 11.3546 3.75238 numMergedOcc 0
47 mol 277 unq 0 iso 1 dist 9.29635 5.79925 11.3546 5.11998 7.75371 3.75238 numMergedOcc 0
