0 mol 8 unq 0 iso 0 dist 8.80278 8.37509 4.43686 9.69819 8.00482 6.81909 4.35292 9.36839 9.66021 13.0906 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 6.11408 5.35021 5.16461 9.22226 5.0301 6.99296 5.80918 8.51178 10.4755 12.4685 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 6.11408 5.35021 5.16461 9.22226 5.0301 6.99296 8.39619 7.04966 7.54797 11.6367 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 7.30392 9.11976 14.7238 5.44722 12.2954 4.55153 10.9933 7.61631 20.0131 16.3219 numMergedOcc 0
4 mol 66 unq 0 iso 0 dist 7.1612 7.48714 11.0946 5.75397 6.97546 6.28783 6.03391 6.85819 13.0603 10.3585 numMergedOcc 0
5 mol 66 unq 1 iso 0 dist 7.1612 7.48714 11.0946 9.11975 6.70072 10.2684 6.03391 6.85819 13.0603 11.8625 numMergedOcc 0
6 mol 69 unq 0 iso 0 dist 7.33546 9.01561 14.0643 5.58337 5.25902 9.89986 7.83359 9.22636 15.4236 11.668 numMergedOcc 0
7 mol 103 unq 0 iso 0 dist 8.70106 6.13194 13.5214 9.61913 12.2951 14.3605 11.4822 7.81042 14.7058 18.2247 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 9.15982 9.03707 4.45081 9.82907 11.585 8.92549 14.0132 9.6874 14.0674 19.7236 numMergedOcc 0
9 mol 148 unq 0 iso 0 dist 6.72591 6.81055 11.2206 9.92375 9.82423 8.10745 7.50382 9.71692 6.58752 11.6016 numMergedOcc 0
10 mol 189 unq 0 iso 0 dist 8.81184 9.22035 6.53924 7.45329 6.41248 9.72876 12.7403 8.23197 11.5546 13.7292 numMergedOcc 0
11 mol 189 unq 1 iso 0 dist 9.71306 9.22035 17.3417 7.45329 10.6364 9.72876 6.58275 5.11059 15.4956 9.71563 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 7.42784 9.99489 9.54701 7.88169 6.23427 8.36668 10.5635 8.23246 10.238 13.054 numMergedOcc 0
13 mol 220 unq 1 iso 0 dist 6.11123 7.78448 9.54701 9.46179 6.23427 8.36668 4.84006 8.23246 10.238 13.054 numMergedOcc 0
14 mol 260 unq 0 iso 0 dist 9.94532 4.49691 10.2094 6.8795 6.83989 5.38535 5.75427 8.13696 9.07261 9.56846 numMergedOcc 0
15 mol 293 unq 0 iso 0 dist 8.27274 9.50932 10.2071 8.60282 5.75555 4.75112 11.8152 8.42712 16.5015 12.7137 numMergedOcc 0
