0 mol 26 unq 0 iso 0 dist 9.7522 4.21886 9.80897 8.62527 4.52042 8.65828 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 7.10899 5.70643 7.78892 5.68877 4.30086 4.50643 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.38387 4.99287 8.03754 11.1748 9.69698 7.67459 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 9.77553 4.5746 9.86627 11.2887 6.59405 9.52298 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 9.00229 12.9552 9.75265 14.9219 8.50779 8.88969 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 8.99491 4.69203 8.75668 7.49861 11.6779 5.45684 numMergedOcc 0
6 mol 64 unq 1 iso 0 dist 8.99491 4.69203 8.75668 6.2165 10.1207 7.76644 numMergedOcc 0
7 mol 75 unq 0 iso 0 dist 6.95595 4.01868 6.96759 11.3061 9.14798 7.93145 numMergedOcc 0
8 mol 110 unq 0 iso 0 dist 7.09405 4.37836 7.32156 6.34794 4.98189 9.00302 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 9.50322 15.9933 9.1146 24.2761 15.3123 9.82274 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 9.50322 15.9933 9.1146 18.7688 10.4303 9.02712 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 5.86531 4.98521 9.47554 10.3551 14.5299 5.92836 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 8.07256 4.81561 8.41774 12.9009 9.50073 9.27341 numMergedOcc 0
13 mol 155 unq 0 iso 0 dist 4.44292 5.49557 8.57712 7.49276 4.97552 9.06599 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 9.94315 5.64173 4.80834 5.83646 10.1036 7.75366 numMergedOcc 0
15 mol 238 unq 1 iso 0 dist 8.59074 4.11566 4.80834 9.69906 10.1036 7.75366 numMergedOcc 0
16 mol 238 unq 2 iso 0 dist 6.2365 5.64162 4.80834 13.3899 10.1036 7.75366 numMergedOcc 0
17 mol 244 unq 0 iso 0 dist 7.65388 8.49995 9.21656 8.19381 8.82711 6.2667 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 5.73834 5.66907 9.04358 6.41167 5.13233 8.73425 numMergedOcc 0
19 mol 271 unq 0 iso 0 dist 9.56149 5.60228 9.42899 8.54162 5.31774 5.76281 numMergedOcc 0
20 mol 274 unq 0 iso 0 dist 8.49076 12.6116 9.65027 14.7123 7.26296 7.79173 numMergedOcc 0
