0 mol 11 unq 0 iso 0 dist 5.47299 12.6523 9.81983 12.9682 9.89425 9.74251 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 6.70325 5.60332 9.82851 4.80254 8.97754 5.29055 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 6.70325 7.30207 9.11311 4.80254 8.97754 4.76998 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 6.89752 11.0606 5.82264 9.11789 7.7927 5.50677 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 6.89752 11.0606 5.82264 8.94949 6.17378 3.90503 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 6.89752 8.31475 8.56365 9.11789 7.7927 11.8248 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 6.89752 8.31475 8.56365 8.94949 6.17378 9.10288 numMergedOcc 0
7 mol 54 unq 0 iso 0 dist 9.24708 9.14473 8.75957 12.9186 9.41463 10.0092 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 9.33736 4.92118 6.41008 6.02257 9.10675 5.45005 numMergedOcc 0
9 mol 62 unq 0 iso 0 dist 8.96898 8.90117 8.21895 5.91118 9.19512 4.09232 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 8.67342 16.5181 9.13593 7.74857 4.29937 10.797 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 8.67342 16.5181 9.13593 10.4876 3.65628 7.04693 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 8.67342 16.5181 9.13593 18.2213 9.77774 6.7475 numMergedOcc 0
13 mol 85 unq 3 iso 0 dist 8.60062 16.5181 8.25144 7.74857 5.37869 10.797 numMergedOcc 0
14 mol 85 unq 4 iso 0 dist 8.60062 16.5181 8.25144 10.4876 4.05415 7.04693 numMergedOcc 0
15 mol 85 unq 5 iso 0 dist 8.60062 16.5181 8.25144 18.2213 9.97944 6.7475 numMergedOcc 0
16 mol 85 unq 6 iso 0 dist 5.73739 11.9312 9.13593 9.36582 4.29937 10.797 numMergedOcc 0
17 mol 85 unq 7 iso 0 dist 5.73739 11.9312 9.13593 8.8983 3.65628 7.04693 numMergedOcc 0
18 mol 85 unq 8 iso 0 dist 5.73739 11.9312 9.13593 11.1809 9.77774 6.7475 numMergedOcc 0
19 mol 85 unq 9 iso 0 dist 5.16225 11.9312 8.25144 9.36582 5.37869 10.797 numMergedOcc 0
20 mol 85 unq 10 iso 0 dist 5.16225 11.9312 8.25144 8.8983 4.05415 7.04693 numMergedOcc 0
21 mol 85 unq 11 iso 0 dist 5.16225 11.9312 8.25144 11.1809 9.97944 6.7475 numMergedOcc 0
22 mol 93 unq 0 iso 0 dist 7.14241 11.851 7.48947 4.85981 8.28591 14.433 numMergedOcc 0
23 mol 93 unq 1 iso 0 dist 7.14241 11.851 7.48947 4.03764 5.35008 9.54244 numMergedOcc 0
24 mol 93 unq 2 iso 0 dist 7.14241 11.851 7.48947 14.2411 8.30921 9.86691 numMergedOcc 0
25 mol 98 unq 0 iso 0 dist 4.36944 5.36591 9.57429 6.40382 7.14813 9.90428 numMergedOcc 0
26 mol 101 unq 0 iso 0 dist 7.33426 4.93063 9.44645 9.92742 9.33112 14.6961 numMergedOcc 0
27 mol 101 unq 1 iso 0 dist 8.17175 14.9783 9.44645 3.73374 9.33112 14.6961 numMergedOcc 0
28 mol 131 unq 0 iso 0 dist 7.34765 8.25083 8.47526 9.35007 8.49847 6.11089 numMergedOcc 0
29 mol 169 unq 0 iso 0 dist 6.27378 4.8154 9.84538 7.58935 8.6961 8.86736 numMergedOcc 0
30 mol 186 unq 0 iso 0 dist 8.35588 9.12063 5.68985 11.3012 7.36794 8.66149 numMergedOcc 0
31 mol 186 unq 1 iso 0 dist 8.35588 9.12063 5.68985 11.3698 5.81881 3.87169 numMergedOcc 0
32 mol 205 unq 0 iso 0 dist 4.93303 4.79372 6.81516 3.73699 7.88986 5.19196 numMergedOcc 0
33 mol 205 unq 1 iso 0 dist 9.95859 10.2111 7.24614 3.73699 7.4185 6.9508 numMergedOcc 0
34 mol 254 unq 0 iso 0 dist 9.83135 5.80462 9.31434 7.03003 5.6417 3.91259 numMergedOcc 0
35 mol 254 unq 1 iso 0 dist 9.83135 5.80462 9.31434 9.54026 7.42831 5.53173 numMergedOcc 0
36 mol 256 unq 0 iso 0 dist 9.49634 9.83915 4.36333 9.16183 7.32564 4.10994 numMergedOcc 0
37 mol 256 unq 1 iso 0 dist 9.49634 8.66329 6.96483 9.16183 7.32564 3.90666 numMergedOcc 0
38 mol 287 unq 0 iso 0 dist 5.55176 9.62532 9.25759 5.06236 4.93516 5.97664 numMergedOcc 0
39 mol 288 unq 0 iso 0 dist 5.55176 9.62532 9.25759 5.06236 4.93516 5.97664 numMergedOcc 0
40 mol 289 unq 0 iso 0 dist 5.55176 9.62532 9.25759 5.06236 4.93516 5.97664 numMergedOcc 0
