0 mol 5 unq 0 iso 0 dist 9.17088 8.97274 12.8419 11.3755 15.2214 9.22027 numMergedOcc 0
1 mol 66 unq 0 iso 0 dist 7.3359 8.65033 7.69664 3.7783 10.7139 9.6145 numMergedOcc 0
2 mol 66 unq 1 iso 0 dist 7.3359 7.8807 8.09941 3.7783 10.7139 8.32859 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 9.40333 7.50377 7.50975 6.50041 12.0495 5.7369 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 7.46657 6.55112 5.31985 6.38237 6.72869 9.59729 numMergedOcc 0
5 mol 105 unq 0 iso 0 dist 9.94398 9.15226 4.4598 4.59356 9.16718 9.17843 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 6.00727 4.73115 4.63567 6.98491 9.59883 5.78982 numMergedOcc 0
7 mol 158 unq 0 iso 0 dist 9.99005 9.1854 17.6575 5.47558 14.992 9.10671 numMergedOcc 0
8 mol 162 unq 0 iso 0 dist 7.69229 9.65468 5.65603 6.69138 7.37333 9.43904 numMergedOcc 0
9 mol 162 unq 1 iso 0 dist 7.69229 9.65468 5.65603 6.82744 7.45998 7.01095 numMergedOcc 0
10 mol 170 unq 0 iso 0 dist 9.32245 9.66676 4.78249 5.03109 10.7199 8.75024 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 7.7544 5.97971 5.71898 8.70425 9.81178 9.92831 numMergedOcc 0
12 mol 195 unq 0 iso 0 dist 7.04524 9.20541 6.04871 14.0091 12.662 8.22795 numMergedOcc 0
13 mol 195 unq 1 iso 0 dist 7.04524 6.65077 8.04534 6.04748 11.8893 6.396 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 6.23932 9.79826 8.97813 9.99561 6.49765 5.03818 numMergedOcc 0
15 mol 205 unq 1 iso 0 dist 6.23932 9.79826 8.97813 15.2328 14.2129 6.40171 numMergedOcc 0
16 mol 206 unq 0 iso 0 dist 8.45825 8.43994 12.3129 7.9981 15.7221 9.95026 numMergedOcc 0
17 mol 217 unq 0 iso 0 dist 6.23025 8.99484 4.64118 4.76575 7.60269 9.37602 numMergedOcc 0
18 mol 217 unq 1 iso 0 dist 6.23025 8.99484 4.64118 11.715 10.6124 8.26522 numMergedOcc 0
19 mol 227 unq 0 iso 0 dist 8.27093 9.34023 4.664 5.92282 5.23634 8.85955 numMergedOcc 0
20 mol 227 unq 1 iso 0 dist 8.27093 5.77762 4.1511 5.92282 5.23634 6.09335 numMergedOcc 0
21 mol 227 unq 2 iso 0 dist 9.02226 9.34023 8.49509 5.92282 6.91318 8.85955 numMergedOcc 0
22 mol 227 unq 3 iso 0 dist 9.02226 5.77762 4.69247 5.92282 6.91318 6.09335 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 5.90804 8.75172 10.5937 4.58625 10.0129 8.93212 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 4.80834 5.52788 7.06793 4.70535 8.923 4.66186 numMergedOcc 0
25 mol 243 unq 0 iso 0 dist 9.35819 8.89434 5.62653 13.1212 11.4905 8.30024 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 4.81916 6.42951 3.97543 13.1828 8.9682 7.16209 numMergedOcc 0
27 mol 277 unq 1 iso 0 dist 4.81916 6.42951 3.97543 10.6994 6.92711 4.62936 numMergedOcc 0
