0 mol 12 unq 0 iso 0 dist 4.85969 6.16894 4.62913 9.3276 9.79847 11.1357 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 4.85969 5.93993 7.44542 9.3276 9.79847 5.03514 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 6.82522 6.35259 9.02302 13.3438 9.70292 11.2771 numMergedOcc 0
3 mol 95 unq 1 iso 0 dist 6.82522 6.35259 9.02302 11.578 9.59704 7.06511 numMergedOcc 0
4 mol 95 unq 2 iso 0 dist 9.89353 11.7257 9.02302 5.89506 9.70292 11.2771 numMergedOcc 0
5 mol 95 unq 3 iso 0 dist 9.89353 11.7257 9.02302 6.40728 9.59704 7.06511 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 4.9418 5.9722 6.36357 6.18487 4.49975 9.08021 numMergedOcc 0
7 mol 128 unq 0 iso 0 dist 5.32517 8.86016 9.50023 9.02609 9.67042 14.4165 numMergedOcc 0
8 mol 128 unq 1 iso 0 dist 5.32517 8.86016 9.50023 6.24319 7.95999 5.42944 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 8.47476 13.6955 9.28415 11.0797 5.56446 4.62155 numMergedOcc 0
10 mol 154 unq 0 iso 0 dist 5.67586 9.08046 7.63904 4.78116 5.06116 5.93188 numMergedOcc 0
11 mol 169 unq 0 iso 0 dist 8.11268 8.68968 8.18148 9.33941 6.27683 12.8977 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 9.6317 7.93773 4.45738 6.43009 6.14128 5.22975 numMergedOcc 0
13 mol 223 unq 0 iso 0 dist 7.30699 7.99016 7.29418 6.05087 9.6936 8.87398 numMergedOcc 0
14 mol 223 unq 1 iso 0 dist 9.5073 7.99016 8.63099 6.05087 9.36733 8.87398 numMergedOcc 0
15 mol 226 unq 0 iso 0 dist 9.31677 4.04412 9.5942 8.63354 9.71835 4.89645 numMergedOcc 0
16 mol 227 unq 0 iso 0 dist 9.69335 6.5366 9.87685 6.66855 7.90991 6.62649 numMergedOcc 0
17 mol 227 unq 1 iso 0 dist 5.36841 7.42961 9.87685 8.82656 7.90991 6.62649 numMergedOcc 0
18 mol 236 unq 0 iso 0 dist 6.54859 7.55924 9.26313 7.27242 8.58772 7.24627 numMergedOcc 0
19 mol 260 unq 0 iso 0 dist 7.90537 6.39739 8.55211 9.31424 7.27503 4.35925 numMergedOcc 0
20 mol 260 unq 1 iso 0 dist 7.90537 4.9453 8.44162 9.31424 7.27503 11.5529 numMergedOcc 0
