0 mol 9 unq 0 iso 0 dist 9.16444 7.38646 9.87669 6.84888 7.05346 12.419 numMergedOcc 0
1 mol 52 unq 0 iso 0 dist 5.26018 8.76527 6.61767 11.8848 9.66501 11.727 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.27015 8.89951 12.3244 16.4476 8.85586 19.1116 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 8.27015 8.89951 12.3244 14.727 7.11 15.8356 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 8.02354 8.70888 14.6291 13.5865 5.88354 19.094 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 9.00692 9.45186 8.01486 9.70366 8.8368 7.63183 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 6.26542 8.6964 8.01486 7.63357 8.8368 7.63183 numMergedOcc 0
7 mol 111 unq 0 iso 0 dist 9.04546 4.86701 6.39411 10.1874 7.71107 9.84514 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 7.85527 8.52673 4.60974 8.79034 6.98934 11.3186 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 7.85527 8.52673 4.60974 5.53632 7.99623 11.0297 numMergedOcc 0
10 mol 119 unq 2 iso 0 dist 8.62648 7.20629 3.78311 8.9683 8.56342 8.03035 numMergedOcc 0
11 mol 119 unq 3 iso 0 dist 8.62648 7.20629 3.78311 5.50673 6.37542 7.6968 numMergedOcc 0
12 mol 218 unq 0 iso 0 dist 4.851 9.27651 8.94041 11.3699 9.20961 8.93185 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 5.67917 8.91274 6.54036 6.85179 6.66971 11.4114 numMergedOcc 0
14 mol 238 unq 1 iso 0 dist 8.96639 8.91274 7.0086 6.85179 6.4398 11.4114 numMergedOcc 0
15 mol 238 unq 2 iso 0 dist 9.38753 9.28463 14.1055 8.09178 5.52379 9.89583 numMergedOcc 0
16 mol 251 unq 0 iso 0 dist 7.54763 9.74049 6.26359 8.51564 8.01198 13.8664 numMergedOcc 0
17 mol 253 unq 0 iso 0 dist 8.68368 8.72947 5.70882 14.7937 9.66465 14.8642 numMergedOcc 0
18 mol 272 unq 0 iso 0 dist 7.31993 4.80092 4.86504 11.4436 9.19033 12.7305 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 6.36173 9.37125 7.67735 6.35113 7.52109 13.3721 numMergedOcc 0
20 mol 274 unq 1 iso 0 dist 6.36173 9.37125 7.67735 5.54474 7.44083 13.5574 numMergedOcc 0
