0 mol 26 unq 0 iso 0 dist 5.97065 8.69142 4.98603 4.18634 5.84066 6.07276 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 5.73257 7.66913 4.41248 6.65242 8.63635 10.5579 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 4.89196 9.51503 7.12967 7.751 9.1062 12.5091 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 9.46609 6.27321 12.9103 3.62638 7.95451 7.98985 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 6.85365 8.65004 6.35738 4.9759 8.91262 10.1906 numMergedOcc 0
5 mol 112 unq 1 iso 0 dist 6.85365 8.65004 6.35738 6.59976 6.12922 10.1088 numMergedOcc 0
6 mol 112 unq 2 iso 0 dist 6.85365 9.86487 10.8329 4.9759 8.91262 8.72725 numMergedOcc 0
7 mol 112 unq 3 iso 0 dist 6.85365 9.86487 10.8329 6.59976 6.12922 6.11407 numMergedOcc 0
8 mol 128 unq 0 iso 0 dist 6.12126 6.32688 3.98036 5.61773 6.47811 9.24508 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 4.95674 9.29665 6.61001 7.44092 8.55349 13.1039 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 7.17226 5.08086 6.61001 11.0449 8.55349 13.1039 numMergedOcc 0
11 mol 184 unq 0 iso 0 dist 7.09847 6.71675 7.4793 11.9266 7.59939 14.4075 numMergedOcc 0
12 mol 195 unq 0 iso 0 dist 8.64561 5.0778 4.65391 11.5968 9.74988 11.9372 numMergedOcc 0
13 mol 213 unq 0 iso 0 dist 4.80429 9.65238 6.17282 5.36933 8.65196 14.4091 numMergedOcc 0
14 mol 213 unq 1 iso 0 dist 6.38872 9.65238 12.1116 5.36933 5.461 14.4091 numMergedOcc 0
15 mol 234 unq 0 iso 0 dist 7.54327 5.74541 5.70413 16.363 9.11572 14.1037 numMergedOcc 0
16 mol 235 unq 0 iso 0 dist 9.24964 4.46919 13.128 9.94369 7.02029 13.3153 numMergedOcc 0
17 mol 260 unq 0 iso 0 dist 6.29389 4.76698 4.73121 12.978 8.5613 12.6653 numMergedOcc 0
18 mol 273 unq 0 iso 0 dist 9.93542 6.59092 6.2726 4.3735 9.06937 5.61969 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 8.38395 6.74022 4.60275 11.3961 6.66172 8.60027 numMergedOcc 0
