0 mol 7 unq 0 iso 0 dist 7.88043 5.99459 8.0744 7.78327 10.6558 7.00508 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.80762 5.99459 11.7002 7.78327 13.5227 7.00508 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 4.93188 6.6219 8.32592 8.23075 4.21283 10.1923 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 4.93188 6.6219 8.32592 4.7841 4.97191 9.92483 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 4.93188 5.68215 8.10397 8.23075 4.21283 9.24731 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 4.93188 5.68215 8.10397 4.7841 4.97191 3.53396 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 5.81959 7.6114 11.4877 7.03372 6.32857 9.34154 numMergedOcc 0
7 mol 38 unq 0 iso 0 dist 7.57959 9.19165 5.29787 7.68478 8.44315 5.08577 numMergedOcc 0
8 mol 38 unq 1 iso 0 dist 7.05737 9.19165 5.26748 7.68478 4.841 5.08577 numMergedOcc 0
9 mol 43 unq 0 iso 0 dist 9.93832 6.6263 4.55347 7.39848 6.59887 5.14161 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 8.85586 5.5087 5.50891 7.37171 12.6176 10.0644 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 8.85586 6.08682 4.75954 7.37171 12.6176 12.1501 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 5.16364 8.72682 5.56296 8.62079 12.6176 14.0236 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 5.16364 6.45841 6.69436 8.62079 12.6176 11.9118 numMergedOcc 0
14 mol 73 unq 4 iso 0 dist 5.16364 5.61588 5.50891 8.62079 12.6176 10.0644 numMergedOcc 0
15 mol 73 unq 5 iso 0 dist 5.16364 7.83244 4.75954 8.62079 12.6176 12.1501 numMergedOcc 0
16 mol 73 unq 6 iso 0 dist 7.11 5.5087 7.50869 7.37171 14.2305 10.0644 numMergedOcc 0
17 mol 73 unq 7 iso 0 dist 7.11 6.08682 3.6807 7.37171 14.2305 12.1501 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 7.33422 7.7068 6.33204 8.04242 9.09756 11.1225 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 6.69515 8.07097 5.25982 7.46621 10.7652 8.53163 numMergedOcc 0
20 mol 143 unq 0 iso 0 dist 8.41611 7.36975 9.05786 8.99891 7.87644 14.4074 numMergedOcc 0
21 mol 143 unq 1 iso 0 dist 8.41611 5.40637 6.16103 8.99891 7.87644 5.94217 numMergedOcc 0
22 mol 143 unq 2 iso 0 dist 7.63338 7.36975 3.75378 8.99891 13.5899 14.4074 numMergedOcc 0
23 mol 143 unq 3 iso 0 dist 7.63338 5.40637 8.4697 8.99891 13.5899 5.94217 numMergedOcc 0
24 mol 143 unq 4 iso 0 dist 9.03707 7.36975 14.0356 8.99891 9.13604 14.4074 numMergedOcc 0
25 mol 143 unq 5 iso 0 dist 9.03707 5.40637 5.41614 8.99891 9.13604 5.94217 numMergedOcc 0
26 mol 143 unq 6 iso 0 dist 7.25673 7.36975 9.30534 8.99891 12.6218 14.4074 numMergedOcc 0
27 mol 143 unq 7 iso 0 dist 7.25673 5.40637 6.78032 8.99891 12.6218 5.94217 numMergedOcc 0
28 mol 152 unq 0 iso 0 dist 9.77552 6.59889 4.71678 7.55934 6.69469 5.12696 numMergedOcc 0
29 mol 152 unq 1 iso 0 dist 9.77552 8.9192 7.11377 7.55934 6.69469 6.04238 numMergedOcc 0
30 mol 175 unq 0 iso 0 dist 5.4969 9.63417 9.37652 9.19156 6.41193 14.8784 numMergedOcc 0
31 mol 175 unq 1 iso 0 dist 6.4318 9.63417 4.52999 9.19156 10.568 14.8784 numMergedOcc 0
32 mol 175 unq 2 iso 0 dist 7.35824 9.63417 5.68406 9.19156 14.7729 14.8784 numMergedOcc 0
33 mol 175 unq 3 iso 0 dist 9.17364 9.63417 9.31641 9.19156 18.0583 14.8784 numMergedOcc 0
34 mol 178 unq 0 iso 0 dist 4.92088 9.11204 7.79894 4.72821 8.56547 9.56928 numMergedOcc 0
35 mol 186 unq 0 iso 0 dist 6.72641 7.05695 8.1007 6.93931 3.99552 5.4547 numMergedOcc 0
36 mol 186 unq 1 iso 0 dist 7.24795 8.73533 9.40383 5.90765 9.28201 3.60793 numMergedOcc 0
37 mol 195 unq 0 iso 0 dist 6.60567 7.41662 9.48862 6.59544 11.5264 5.60873 numMergedOcc 0
38 mol 218 unq 0 iso 0 dist 8.06216 7.33709 7.4492 7.84952 9.46108 13.5381 numMergedOcc 0
39 mol 218 unq 1 iso 0 dist 5.76954 7.33709 6.57708 7.84952 11.2216 13.5381 numMergedOcc 0
40 mol 218 unq 2 iso 0 dist 6.29511 7.33709 13.4147 7.84952 5.46009 13.5381 numMergedOcc 0
41 mol 232 unq 0 iso 0 dist 7.83711 6.71524 8.03712 8.25985 6.20756 3.43286 numMergedOcc 0
42 mol 232 unq 1 iso 0 dist 7.83711 6.71524 8.03712 9.27788 11.7554 5.45761 numMergedOcc 0
43 mol 248 unq 0 iso 0 dist 6.17052 9.05018 7.14182 7.79063 4.91893 9.81612 numMergedOcc 0
44 mol 257 unq 0 iso 0 dist 9.95546 8.83833 15.1307 9.6834 8.52912 9.14227 numMergedOcc 0
45 mol 285 unq 0 iso 0 dist 5.31728 7.80862 8.05127 6.71946 4.12133 10.2856 numMergedOcc 0
46 mol 285 unq 1 iso 0 dist 5.31728 7.80862 8.05127 8.28061 10.3898 8.89122 numMergedOcc 0
47 mol 285 unq 2 iso 0 dist 5.31728 7.80862 8.05127 5.03601 6.89311 4.98469 numMergedOcc 0
