0 mol 8 unq 0 iso 0 dist 9.73496 8.82216 8.80278 5.53899 9.36839 4.35292 15.7008 8.00482 9.69819 13.0906 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 7.96502 8.43775 9.72716 5.25196 8.30431 6.27103 13.4223 10.8154 7.25041 9.32664 numMergedOcc 0
2 mol 61 unq 1 iso 0 dist 7.96502 8.43775 9.72716 6.97911 4.628 6.86236 13.4223 10.8154 7.25041 10.5121 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 6.57452 6.39837 7.33546 11.6815 9.22636 7.83359 4.95459 5.25902 5.58337 11.668 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 5.8915 9.17593 8.70106 8.5691 7.81042 11.4822 11.2161 12.2951 9.61913 18.2247 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 6.79014 9.85586 9.15982 4.97361 9.6874 14.0132 15.0409 11.585 9.82907 19.7236 numMergedOcc 0
6 mol 148 unq 0 iso 0 dist 6.4413 11.3382 6.72591 13.2694 9.71692 7.50382 16.1933 9.82423 9.92375 11.6016 numMergedOcc 0
7 mol 189 unq 0 iso 0 dist 6.77351 10.3814 8.81184 6.32602 8.23197 12.7403 9.6509 6.41248 7.45329 13.7292 numMergedOcc 0
8 mol 189 unq 1 iso 0 dist 8.4676 16.383 8.81184 9.84174 8.23197 12.7403 12.2323 6.41248 7.45329 13.7292 numMergedOcc 0
9 mol 220 unq 0 iso 0 dist 5.99718 4.55979 7.42784 9.55761 8.23246 10.5635 9.36738 6.23427 7.88169 13.054 numMergedOcc 0
10 mol 220 unq 1 iso 0 dist 5.99718 6.35303 6.11123 9.55761 8.23246 4.84006 9.36738 6.23427 9.46179 13.054 numMergedOcc 0
11 mol 227 unq 0 iso 0 dist 8.32703 12.1436 9.09371 5.55239 5.2851 9.22288 9.14775 7.15779 5.87056 8.61546 numMergedOcc 0
12 mol 227 unq 1 iso 0 dist 8.32703 12.1436 9.09371 5.55239 5.2851 9.22288 19.6967 13.3228 9.84311 16.6827 numMergedOcc 0
13 mol 227 unq 2 iso 0 dist 8.32703 12.1436 9.09371 5.55239 5.2851 9.22288 12.4584 6.10844 8.85568 7.17024 numMergedOcc 0
14 mol 227 unq 3 iso 0 dist 8.25412 14.3715 9.09371 5.34424 5.2851 9.22288 13.5511 7.15779 5.87056 8.61546 numMergedOcc 0
15 mol 227 unq 4 iso 0 dist 8.25412 14.3715 9.09371 5.34424 5.2851 9.22288 20.9173 13.3228 9.84311 16.6827 numMergedOcc 0
16 mol 227 unq 5 iso 0 dist 8.25412 14.3715 9.09371 5.34424 5.2851 9.22288 9.45021 6.10844 8.85568 7.17024 numMergedOcc 0
17 mol 260 unq 0 iso 0 dist 7.95918 9.01244 9.94532 4.96171 8.13696 5.75427 10.7724 6.83989 6.8795 9.56846 numMergedOcc 0
18 mol 279 unq 0 iso 0 dist 6.85288 5.00251 5.00402 11.71 9.98985 10.1637 11.1415 5.10287 9.36891 8.79637 numMergedOcc 0
19 mol 279 unq 1 iso 0 dist 6.85288 5.00251 5.00402 11.71 9.98985 10.1637 5.02385 6.69582 7.37358 14.9954 numMergedOcc 0
20 mol 279 unq 2 iso 0 dist 6.85288 5.00251 5.00402 10.2918 7.22295 5.61514 11.1415 5.10287 9.36891 8.88458 numMergedOcc 0
21 mol 279 unq 3 iso 0 dist 6.85288 5.00251 5.00402 10.2918 7.22295 5.61514 5.02385 6.69582 7.37358 12.4413 numMergedOcc 0
22 mol 287 unq 0 iso 0 dist 8.80626 9.56395 4.66252 10.6818 4.49185 5.44878 17.8785 13.0167 9.52718 13.9091 numMergedOcc 0
23 mol 288 unq 0 iso 0 dist 8.80626 9.56395 4.66252 10.6818 4.49185 5.44878 17.8785 13.0167 9.52718 13.9091 numMergedOcc 0
24 mol 289 unq 0 iso 0 dist 8.80626 9.56395 4.66252 10.6818 4.49185 5.44878 17.8785 13.0167 9.52718 13.9091 numMergedOcc 0
