0 mol 53 unq 0 iso 0 dist 5.40748 5.34876 5.63499 4.9516 7.11695 6.7198 numMergedOcc 0
1 mol 53 unq 1 iso 0 dist 5.40748 5.34876 5.63499 5.25639 7.58093 10.1162 numMergedOcc 0
2 mol 155 unq 0 iso 0 dist 7.25009 5.49557 8.99128 8.63858 7.29911 6.51504 numMergedOcc 0
3 mol 155 unq 1 iso 0 dist 7.25009 5.49557 8.99128 4.40049 5.36254 6.6805 numMergedOcc 0
4 mol 167 unq 0 iso 0 dist 6.48993 12.154 9.76579 4.0737 7.30954 12.3819 numMergedOcc 0
5 mol 168 unq 0 iso 0 dist 7.30338 4.65845 5.51167 6.39941 7.06851 7.08042 numMergedOcc 0
6 mol 195 unq 0 iso 0 dist 9.48766 10.6976 8.84149 4.04021 9.32333 7.56699 numMergedOcc 0
7 mol 197 unq 0 iso 0 dist 6.0033 10.3089 7.86042 4.40086 9.27218 10.8745 numMergedOcc 0
8 mol 227 unq 0 iso 0 dist 8.79884 4.66497 8.76745 4.18393 7.79951 6.20562 numMergedOcc 0
9 mol 227 unq 1 iso 0 dist 8.79884 4.85822 5.77762 4.18393 7.79951 6.92493 numMergedOcc 0
10 mol 238 unq 0 iso 0 dist 7.13727 5.64173 5.52788 13.0115 9.84652 13.4031 numMergedOcc 0
11 mol 238 unq 1 iso 0 dist 8.56975 4.11566 5.52788 14.0686 9.84652 13.4031 numMergedOcc 0
12 mol 247 unq 0 iso 0 dist 9.01651 4.36793 9.07781 14.1218 8.53041 13.7343 numMergedOcc 0
13 mol 247 unq 1 iso 0 dist 9.01651 4.80559 6.84199 14.1218 8.53041 9.54655 numMergedOcc 0
14 mol 247 unq 2 iso 0 dist 8.83903 5.76234 9.07781 9.55655 8.53041 13.7343 numMergedOcc 0
15 mol 247 unq 3 iso 0 dist 8.83903 4.99579 6.84199 9.55655 8.53041 9.54655 numMergedOcc 0
16 mol 279 unq 0 iso 0 dist 7.59142 15.1753 8.34313 13.1267 8.92667 6.78493 numMergedOcc 0
17 mol 279 unq 1 iso 0 dist 7.59142 15.1753 8.34313 6.7711 6.0283 10.8816 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 9.14467 6.28227 8.43856 4.59215 8.9466 9.88579 numMergedOcc 0
19 mol 287 unq 1 iso 0 dist 9.14467 4.35239 5.83857 4.59215 8.9466 6.756 numMergedOcc 0
20 mol 287 unq 2 iso 0 dist 9.14467 10.5443 5.32839 4.59215 8.9466 7.93717 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 9.14467 6.28227 8.43856 4.59215 8.9466 9.88579 numMergedOcc 0
22 mol 288 unq 1 iso 0 dist 9.14467 4.35239 5.83857 4.59215 8.9466 6.756 numMergedOcc 0
23 mol 288 unq 2 iso 0 dist 9.14467 10.5443 5.32839 4.59215 8.9466 7.93717 numMergedOcc 0
24 mol 289 unq 0 iso 0 dist 9.14467 6.28227 8.43856 4.59215 8.9466 9.88579 numMergedOcc 0
25 mol 289 unq 1 iso 0 dist 9.14467 4.35239 5.83857 4.59215 8.9466 6.756 numMergedOcc 0
26 mol 289 unq 2 iso 0 dist 9.14467 10.5443 5.32839 4.59215 8.9466 7.93717 numMergedOcc 0
