0 mol 54 unq 0 iso 0 dist 7.89001 7.05787 7.54869 12.2366 9.5589 5.50049 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 8.46313 6.15997 9.532 9.46304 6.72123 7.20068 numMergedOcc 0
2 mol 94 unq 0 iso 0 dist 8.13248 9.95018 8.96022 4.83621 7.89459 7.1623 numMergedOcc 0
3 mol 94 unq 1 iso 0 dist 8.13248 12.7539 8.75181 4.83621 7.89459 8.92413 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 8.06457 13.8523 9.90769 4.165 7.88289 11.0096 numMergedOcc 0
5 mol 95 unq 1 iso 0 dist 8.06457 13.8523 9.90769 7.84998 9.01083 10.3117 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 9.13413 5.0709 5.43031 9.79513 7.71338 5.21064 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 7.49404 5.90585 9.20372 7.91807 8.40312 4.88092 numMergedOcc 0
8 mol 131 unq 1 iso 0 dist 6.44766 6.35702 6.65519 7.69184 6.85062 4.88092 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 7.85025 11.4126 6.2109 4.26332 6.29155 11.6923 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 7.85025 11.4126 6.2109 11.5948 6.80239 12.4997 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 7.85025 11.4126 6.2109 13.8058 8.00618 10.8963 numMergedOcc 0
12 mol 180 unq 0 iso 0 dist 7.24785 9.4755 8.31244 14.0966 9.62337 6.84196 numMergedOcc 0
13 mol 180 unq 1 iso 0 dist 7.53287 11.7342 8.31244 14.0344 9.62337 6.84196 numMergedOcc 0
14 mol 182 unq 0 iso 0 dist 6.32172 12.1405 9.92736 11.6953 9.31746 14.6185 numMergedOcc 0
15 mol 253 unq 0 iso 0 dist 9.75753 6.7575 7.84754 15.0268 9.02271 14.7198 numMergedOcc 0
16 mol 253 unq 1 iso 0 dist 9.75753 8.08672 6.71362 15.0268 9.02271 9.60213 numMergedOcc 0
17 mol 259 unq 0 iso 0 dist 9.89728 17.9599 9.07855 5.07898 7.46176 15.5856 numMergedOcc 0
18 mol 259 unq 1 iso 0 dist 6.42437 5.29564 8.73296 5.07898 9.18903 6.69309 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 6.86014 4.94857 8.61945 4.83355 9.7748 9.21781 numMergedOcc 0
20 mol 277 unq 1 iso 0 dist 5.97073 13.4694 8.61945 11.2857 9.7748 9.21781 numMergedOcc 0
21 mol 277 unq 2 iso 0 dist 6.49176 15.096 8.61945 14.4976 9.7748 9.21781 numMergedOcc 0
22 mol 278 unq 0 iso 0 dist 8.62414 15.2329 8.8437 12.2316 8.44326 8.4608 numMergedOcc 0
