0 mol 7 unq 0 iso 0 dist 8.80895 9.00876 8.24153 6.64176 4.60206 4.05107 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 9.00876 8.80895 8.24153 6.64176 4.05107 4.60206 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 5.51158 8.13182 4.93841 7.90324 4.04528 4.75209 numMergedOcc 0
3 mol 26 unq 0 iso 1 dist 8.13182 5.51158 4.93841 7.90324 4.75209 4.04528 numMergedOcc 0
4 mol 65 unq 0 iso 0 dist 7.62028 9.61118 15.1521 8.70783 6.59475 15.7536 numMergedOcc 0
5 mol 65 unq 0 iso 1 dist 9.61118 7.62028 15.1521 8.70783 15.7536 6.59475 numMergedOcc 0
6 mol 65 unq 1 iso 0 dist 7.62028 9.61118 15.1521 9.20162 13.4516 8.53806 numMergedOcc 0
7 mol 65 unq 1 iso 1 dist 9.61118 7.62028 15.1521 9.20162 8.53806 13.4516 numMergedOcc 0
8 mol 65 unq 2 iso 0 dist 7.62028 8.72097 14.8298 8.70783 6.59475 12.9305 numMergedOcc 0
9 mol 65 unq 2 iso 1 dist 8.72097 7.62028 14.8298 8.70783 12.9305 6.59475 numMergedOcc 0
10 mol 65 unq 3 iso 0 dist 7.62028 8.72097 14.8298 9.20162 13.4516 4.01708 numMergedOcc 0
11 mol 65 unq 3 iso 1 dist 8.72097 7.62028 14.8298 9.20162 4.01708 13.4516 numMergedOcc 0
12 mol 65 unq 2 iso 0 dist 9.61118 8.72097 6.10531 8.70783 15.7536 12.9305 numMergedOcc 0
13 mol 65 unq 2 iso 1 dist 8.72097 9.61118 6.10531 8.70783 12.9305 15.7536 numMergedOcc 0
14 mol 65 unq 3 iso 0 dist 9.61118 8.72097 6.10531 9.20162 8.53806 4.01708 numMergedOcc 0
15 mol 65 unq 3 iso 1 dist 8.72097 9.61118 6.10531 9.20162 4.01708 8.53806 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 4.3761 5.84583 9.29713 9.66226 11.2155 9.51607 numMergedOcc 0
17 mol 98 unq 0 iso 1 dist 5.84583 4.3761 9.29713 9.66226 9.51607 11.2155 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 6.34149 8.63279 3.75263 8.21272 5.21047 5.73901 numMergedOcc 0
19 mol 133 unq 0 iso 1 dist 8.63279 6.34149 3.75263 8.21272 5.73901 5.21047 numMergedOcc 0
20 mol 168 unq 0 iso 0 dist 8.80094 9.03681 17.0164 8.80059 16.5533 9.91815 numMergedOcc 0
21 mol 168 unq 0 iso 1 dist 9.03681 8.80094 17.0164 8.80059 9.91815 16.5533 numMergedOcc 0
22 mol 171 unq 0 iso 0 dist 7.7195 9.43988 15.8405 8.53734 4.98945 13.7258 numMergedOcc 0
23 mol 171 unq 0 iso 1 dist 9.43988 7.7195 15.8405 8.53734 13.7258 4.98945 numMergedOcc 0
24 mol 180 unq 0 iso 0 dist 8.65601 5.78414 10.0908 8.66298 11.297 4.11186 numMergedOcc 0
25 mol 180 unq 0 iso 1 dist 5.78414 8.65601 10.0908 8.66298 4.11186 11.297 numMergedOcc 0
26 mol 225 unq 0 iso 0 dist 9.60654 7.11262 10.4457 8.65088 7.43844 4.32093 numMergedOcc 0
27 mol 225 unq 0 iso 1 dist 7.11262 9.60654 10.4457 8.65088 4.32093 7.43844 numMergedOcc 0
28 mol 233 unq 0 iso 0 dist 8.73545 8.14581 10.3006 5.83278 11.4985 5.74726 numMergedOcc 0
29 mol 233 unq 0 iso 1 dist 8.14581 8.73545 10.3006 5.83278 5.74726 11.4985 numMergedOcc 0
30 mol 243 unq 0 iso 0 dist 6.5095 5.1766 6.73236 7.24253 10.2558 3.87679 numMergedOcc 0
31 mol 243 unq 0 iso 1 dist 5.1766 6.5095 6.73236 7.24253 3.87679 10.2558 numMergedOcc 0
32 mol 243 unq 1 iso 0 dist 6.5095 5.1766 6.73236 7.83742 7.31632 10.9686 numMergedOcc 0
33 mol 243 unq 1 iso 1 dist 5.1766 6.5095 6.73236 7.83742 10.9686 7.31632 numMergedOcc 0
