0 mol 19 unq 0 iso 0 dist 7.14945 6.73409 7.42956 5.6031 5.53102 4.73459 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 6.50337 11.3811 7.42956 8.7083 5.53102 4.73459 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 9.39046 6.38533 5.11883 5.12224 8.19319 5.34619 numMergedOcc 0
3 mol 20 unq 1 iso 0 dist 9.4228 5.65401 8.81141 4.95725 6.29237 4.50327 numMergedOcc 0
4 mol 20 unq 2 iso 0 dist 9.4228 5.65401 8.81141 5.84217 9.24286 6.6307 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 6.07553 5.97304 5.47982 5.11636 8.21811 4.47891 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 6.07553 5.97304 5.47982 4.79736 7.73513 7.56164 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 8.80127 4.33963 4.87192 5.50396 8.70016 5.11135 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 8.80127 4.33963 4.87192 13.6174 5.13078 9.57743 numMergedOcc 0
9 mol 24 unq 4 iso 0 dist 6.48457 11.2106 4.87192 14.4081 8.70016 5.11135 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 6.48457 11.2106 4.87192 5.11636 5.13078 9.57743 numMergedOcc 0
11 mol 62 unq 0 iso 0 dist 9.854 14.6648 9.64488 9.34239 8.52567 8.00265 numMergedOcc 0
12 mol 62 unq 1 iso 0 dist 8.23749 9.25557 9.64488 5.79698 8.52567 8.00265 numMergedOcc 0
13 mol 68 unq 0 iso 0 dist 9.18809 8.53692 5.44028 7.50975 6.33905 9.40469 numMergedOcc 0
14 mol 72 unq 0 iso 0 dist 4.69674 5.71772 8.31442 4.03844 7.52245 7.34402 numMergedOcc 0
15 mol 107 unq 0 iso 0 dist 7.02709 8.71052 6.93417 10.1994 6.71858 12.2443 numMergedOcc 0
16 mol 107 unq 1 iso 0 dist 7.02709 8.71052 6.93417 12.9752 9.37159 16.3052 numMergedOcc 0
17 mol 107 unq 2 iso 0 dist 7.02709 8.38463 6.36246 10.1994 6.71858 6.05753 numMergedOcc 0
18 mol 107 unq 3 iso 0 dist 7.02709 8.38463 6.36246 12.9752 9.37159 12.7816 numMergedOcc 0
19 mol 113 unq 0 iso 0 dist 5.82487 12.4467 8.97819 8.1057 6.41507 4.80714 numMergedOcc 0
20 mol 113 unq 1 iso 0 dist 5.82487 12.4467 8.97819 8.01602 6.03035 6.61205 numMergedOcc 0
21 mol 119 unq 0 iso 0 dist 8.20715 7.61939 8.81779 6.20019 4.22806 6.29394 numMergedOcc 0
22 mol 119 unq 1 iso 0 dist 6.16081 10.326 8.81779 4.39676 4.22806 6.29394 numMergedOcc 0
23 mol 219 unq 0 iso 0 dist 7.68645 15.8259 9.09124 11.3569 6.44817 5.6233 numMergedOcc 0
24 mol 219 unq 1 iso 0 dist 7.68645 15.8259 9.09124 9.13819 9.36547 17.3856 numMergedOcc 0
25 mol 219 unq 2 iso 0 dist 5.75017 10.1178 9.09124 4.78402 6.44817 5.6233 numMergedOcc 0
26 mol 219 unq 3 iso 0 dist 5.75017 10.1178 9.09124 11.6561 9.36547 17.3856 numMergedOcc 0
27 mol 219 unq 4 iso 0 dist 6.12768 8.27974 9.09124 8.8527 6.44817 5.6233 numMergedOcc 0
28 mol 219 unq 5 iso 0 dist 6.12768 8.27974 9.09124 11.1178 9.36547 17.3856 numMergedOcc 0
29 mol 219 unq 6 iso 0 dist 7.19159 13.6754 9.09124 11.4193 6.44817 5.6233 numMergedOcc 0
30 mol 219 unq 7 iso 0 dist 7.19159 13.6754 9.09124 4.72332 9.36547 17.3856 numMergedOcc 0
31 mol 252 unq 0 iso 0 dist 6.38733 5.25252 8.62955 7.40852 9.03266 4.34126 numMergedOcc 0
32 mol 285 unq 0 iso 0 dist 8.89057 4.82788 5.04032 10.3198 5.087 8.48772 numMergedOcc 0
33 mol 285 unq 1 iso 0 dist 8.89057 6.20156 8.48397 10.3198 5.087 7.27631 numMergedOcc 0
34 mol 285 unq 2 iso 0 dist 7.97266 8.42446 5.04032 5.26233 5.087 8.48772 numMergedOcc 0
35 mol 285 unq 3 iso 0 dist 7.97266 7.06919 8.48397 5.26233 5.087 7.27631 numMergedOcc 0
