0 mol 52 unq 0 iso 0 dist 9.12055 9.12159 9.95252 11.2268 9.6112 5.66313 numMergedOcc 0
1 mol 90 unq 0 iso 0 dist 8.09741 13.7391 9.25793 6.75623 8.14057 11.8136 numMergedOcc 0
2 mol 96 unq 0 iso 0 dist 9.13068 12.0865 8.02307 7.66327 8.92287 11.7416 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 7.7946 14.0128 8.96016 15.403 9.58693 12.7375 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 7.7946 14.0128 8.96016 9.57791 9.48388 8.49566 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 8.50734 5.34062 9.16474 5.25443 9.80191 5.89983 numMergedOcc 0
6 mol 117 unq 0 iso 0 dist 4.79414 5.27262 6.98104 4.8137 6.97244 6.3368 numMergedOcc 0
7 mol 117 unq 1 iso 0 dist 4.79414 7.13405 8.56221 4.8137 6.97244 7.31538 numMergedOcc 0
8 mol 147 unq 0 iso 0 dist 8.79685 8.05319 9.47429 12.894 9.11046 7.29693 numMergedOcc 0
9 mol 252 unq 0 iso 0 dist 7.24226 9.99978 7.51983 10.731 9.55574 9.73696 numMergedOcc 0
10 mol 252 unq 1 iso 0 dist 7.46598 4.22732 7.51983 6.7174 9.55574 9.73696 numMergedOcc 0
11 mol 270 unq 0 iso 0 dist 8.46756 9.52452 8.36659 12.6201 9.02113 4.26143 numMergedOcc 0
12 mol 271 unq 0 iso 0 dist 6.67008 7.30325 5.82864 6.00331 7.59727 4.75339 numMergedOcc 0
13 mol 278 unq 0 iso 0 dist 8.33893 4.50966 8.20213 11.2037 8.62414 7.25786 numMergedOcc 0
14 mol 278 unq 1 iso 0 dist 8.33893 4.50966 8.20213 12.6489 6.23184 11.0893 numMergedOcc 0
15 mol 294 unq 0 iso 0 dist 8.79534 10.0259 9.03579 9.13951 5.71661 9.41638 numMergedOcc 0
16 mol 294 unq 1 iso 0 dist 8.79534 10.0259 9.03579 10.409 8.98536 13.9089 numMergedOcc 0
17 mol 294 unq 2 iso 0 dist 6.78706 9.83196 9.03579 9.48026 5.71661 9.41638 numMergedOcc 0
18 mol 294 unq 3 iso 0 dist 6.78706 9.83196 9.03579 13.5893 8.98536 13.9089 numMergedOcc 0
