0 mol 24 unq 0 iso 0 dist 6.6834 5.42968 11.1587 13.9612 8.14598 18.8702 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.6834 5.94343 8.72577 13.9612 8.14598 15.1737 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 8.83144 8.85083 5.33785 12.6167 7.29783 8.70331 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 7.72041 6.6367 4.9947 5.64505 9.87963 6.81735 numMergedOcc 0
4 mol 54 unq 1 iso 0 dist 7.72041 6.6367 4.9947 9.04212 8.67352 12.1824 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 7.84956 8.6356 3.62998 6.30451 9.11547 7.27275 numMergedOcc 0
6 mol 95 unq 1 iso 0 dist 8.57607 8.6356 8.96713 6.30451 8.23073 7.27275 numMergedOcc 0
7 mol 162 unq 0 iso 0 dist 9.71155 8.7019 5.34959 10.3808 6.51243 10.5872 numMergedOcc 0
8 mol 182 unq 0 iso 0 dist 8.5093 7.12941 3.53123 6.07603 5.61604 6.55146 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 6.04336 9.6283 5.4547 6.78172 5.27578 10.129 numMergedOcc 0
10 mol 186 unq 1 iso 0 dist 6.04336 9.6283 5.4547 7.52575 8.25953 10.7976 numMergedOcc 0
11 mol 193 unq 0 iso 0 dist 5.06367 8.29723 9.3899 5.18783 8.44337 9.13587 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 5.56977 6.26596 5.22858 8.09631 8.89981 9.46274 numMergedOcc 0
13 mol 218 unq 0 iso 0 dist 7.64563 8.41062 4.96807 5.68847 7.9987 9.7569 numMergedOcc 0
14 mol 218 unq 1 iso 0 dist 7.64563 8.93793 6.16586 5.68847 7.9987 12.3151 numMergedOcc 0
15 mol 218 unq 2 iso 0 dist 8.12236 6.52233 4.96807 5.94768 7.9987 9.7569 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 8.30771 8.63808 7.75074 5.7425 5.99355 8.99104 numMergedOcc 0
17 mol 253 unq 0 iso 0 dist 9.08259 7.79803 3.92688 5.45863 8.59229 6.74521 numMergedOcc 0
18 mol 253 unq 1 iso 0 dist 8.42325 7.79803 4.47943 5.45863 9.66967 6.74521 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 7.88009 8.70774 5.9732 10.1327 9.91103 4.1545 numMergedOcc 0
20 mol 277 unq 1 iso 0 dist 5.80061 8.70774 3.79766 10.1327 7.0603 4.1545 numMergedOcc 0
