0 mol 34 unq 0 iso 0 dist 9.12062 9.3613 11.042 7.16404 7.10899 6.85305 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 7.7961 5.63207 5.41731 7.38819 10.6666 9.58938 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.35249 7.32436 9.5104 5.40129 9.07177 8.62769 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 6.48746 8.71324 11.1165 7.70414 8.99491 9.10915 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 6.48746 8.71324 11.1165 5.89729 11.844 7.02352 numMergedOcc 0
5 mol 64 unq 2 iso 0 dist 6.48746 9.5663 7.89444 7.70414 8.99491 5.54343 numMergedOcc 0
6 mol 83 unq 0 iso 0 dist 9.31349 9.48319 15.0353 5.88392 10.2311 7.77558 numMergedOcc 0
7 mol 83 unq 1 iso 0 dist 7.61666 9.48319 11.9566 5.88392 9.21173 7.77558 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 9.35364 5.84349 12.2707 4.16047 12.7234 8.26838 numMergedOcc 0
9 mol 103 unq 0 iso 0 dist 9.71805 6.88956 8.31877 5.88774 13.4168 7.55805 numMergedOcc 0
10 mol 103 unq 1 iso 0 dist 4.9418 6.88956 4.36597 5.88774 4.99966 7.55805 numMergedOcc 0
11 mol 103 unq 2 iso 0 dist 5.7953 6.88956 5.3449 5.88774 9.52083 7.55805 numMergedOcc 0
12 mol 122 unq 0 iso 0 dist 9.14875 6.44313 6.25432 5.07035 12.1617 9.69673 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 9.51189 8.42226 7.05604 9.40374 11.5274 7.45401 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 6.62404 5.60195 4.68697 12.0174 10.6535 8.9077 numMergedOcc 0
15 mol 220 unq 1 iso 0 dist 9.37847 7.87359 4.68697 9.89208 10.6535 8.9077 numMergedOcc 0
16 mol 240 unq 0 iso 0 dist 8.96064 7.84314 9.80287 12.2549 14.5006 6.83069 numMergedOcc 0
17 mol 240 unq 1 iso 0 dist 8.96064 7.84314 9.80287 12.5785 17.0262 9.30995 numMergedOcc 0
18 mol 241 unq 0 iso 0 dist 5.66945 7.16232 4.84498 5.3674 8.40773 6.40592 numMergedOcc 0
19 mol 261 unq 0 iso 0 dist 8.07113 6.93654 11.7215 6.39263 9.73983 8.50313 numMergedOcc 0
20 mol 261 unq 1 iso 0 dist 8.07113 9.66298 13.4973 6.39263 9.73983 7.6414 numMergedOcc 0
