0 mol 91 unq 0 iso 0 dist 7.12701 9.01897 9.44289 5.06999 8.66165 11.0296 numMergedOcc 0
1 mol 98 unq 0 iso 0 dist 7.67564 12.6659 9.07676 12.9271 7.14031 15.0169 numMergedOcc 0
2 mol 98 unq 1 iso 0 dist 8.60103 15.0627 9.07676 12.2431 7.14031 15.0169 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 8.55826 12.387 5.32751 5.78064 8.42878 11.5261 numMergedOcc 0
4 mol 141 unq 0 iso 0 dist 8.81111 17.5717 9.03842 11.3783 6.75376 8.90481 numMergedOcc 0
5 mol 171 unq 0 iso 0 dist 8.29782 13.3578 6.73995 4.71612 7.22518 12.8052 numMergedOcc 0
6 mol 171 unq 1 iso 0 dist 8.29782 13.3578 6.73995 5.66419 5.25109 9.23265 numMergedOcc 0
7 mol 171 unq 2 iso 0 dist 8.29782 13.4083 8.619 4.71612 7.22518 14.7924 numMergedOcc 0
8 mol 171 unq 3 iso 0 dist 8.29782 13.4083 8.619 5.66419 5.25109 7.86006 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 6.58212 4.79495 7.89312 10.8189 6.21159 9.52106 numMergedOcc 0
10 mol 192 unq 0 iso 0 dist 8.14859 10.7041 5.47004 14.4054 8.26288 3.72014 numMergedOcc 0
11 mol 192 unq 1 iso 0 dist 8.14859 10.7041 5.47004 9.72372 6.60053 7.05918 numMergedOcc 0
12 mol 192 unq 2 iso 0 dist 5.62421 10.7041 7.36742 9.72372 9.36796 7.05918 numMergedOcc 0
13 mol 196 unq 0 iso 0 dist 9.0515 6.55142 9.80811 13.1553 9.62455 9.42947 numMergedOcc 0
14 mol 247 unq 0 iso 0 dist 8.54404 7.86053 7.21548 5.07285 8.45756 9.41711 numMergedOcc 0
15 mol 249 unq 0 iso 0 dist 9.58168 15.5897 6.72501 9.38829 5.9627 8.44835 numMergedOcc 0
16 mol 266 unq 0 iso 0 dist 9.34312 4.07542 9.60449 14.8724 7.00243 14.63 numMergedOcc 0
17 mol 266 unq 1 iso 0 dist 7.53905 13.9112 9.60449 5.01805 7.00243 14.63 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 9.35976 5.57624 9.04531 10.7039 8.20644 6.17749 numMergedOcc 0
