0 mol 32 unq 0 iso 0 dist 4.31912 5.87258 7.33936 7.70136 7.18766 7.9487 numMergedOcc 0
1 mol 32 unq 1 iso 0 dist 4.31912 5.87258 7.33936 6.44894 7.48825 12.0126 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 5.667 8.80694 8.84839 6.10692 9.46312 6.00832 numMergedOcc 0
3 mol 94 unq 0 iso 0 dist 9.09071 9.07555 9.09847 14.1272 7.38914 8.28879 numMergedOcc 0
4 mol 94 unq 1 iso 0 dist 9.09071 9.07555 9.09847 10.146 7.0529 4.70662 numMergedOcc 0
5 mol 94 unq 2 iso 0 dist 9.09071 11.6391 5.20598 14.1272 7.38914 7.0184 numMergedOcc 0
6 mol 94 unq 3 iso 0 dist 9.09071 11.6391 5.20598 10.146 7.0529 6.54023 numMergedOcc 0
7 mol 127 unq 0 iso 0 dist 8.50625 10.2078 5.45159 6.35116 6.3244 10.5932 numMergedOcc 0
8 mol 127 unq 1 iso 0 dist 8.50625 5.50976 4.9835 6.35116 6.3244 7.76684 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 9.23448 10.3593 7.82011 8.33942 8.55681 6.55605 numMergedOcc 0
10 mol 187 unq 0 iso 0 dist 6.00248 11.1486 7.9625 4.71837 7.01496 8.43209 numMergedOcc 0
11 mol 187 unq 1 iso 0 dist 6.00248 6.33971 8.9148 4.71837 7.01496 5.72599 numMergedOcc 0
12 mol 233 unq 0 iso 0 dist 9.13657 11.2621 5.64376 12.8565 9.2911 5.19718 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 9.73021 11.2878 4.57548 11.0761 7.25543 7.57139 numMergedOcc 0
14 mol 239 unq 1 iso 0 dist 8.47364 10.978 4.57548 11.2238 7.25543 7.57139 numMergedOcc 0
15 mol 259 unq 0 iso 0 dist 5.67172 9.97124 9.44826 4.50424 8.76313 12.0966 numMergedOcc 0
16 mol 259 unq 1 iso 0 dist 5.67172 9.97124 9.44826 5.41805 7.4363 5.92281 numMergedOcc 0
17 mol 284 unq 0 iso 0 dist 5.49652 6.51653 6.34235 5.89917 7.5746 5.13259 numMergedOcc 0
