0 mol 28 unq 0 iso 0 dist 9.32784 5.11301 9.6147 8.60461 10.1348 6.77538 numMergedOcc 0
1 mol 93 unq 0 iso 0 dist 9.27407 3.74136 5.89661 5.77804 11.2152 7.85041 numMergedOcc 0
2 mol 114 unq 0 iso 0 dist 6.56066 3.90578 6.07991 11.5797 12.9601 8.06525 numMergedOcc 0
3 mol 130 unq 0 iso 0 dist 7.50959 4.91324 7.67321 11.327 11.1982 6.82089 numMergedOcc 0
4 mol 130 unq 1 iso 0 dist 7.50959 4.91324 7.67321 9.02079 6.1956 5.38314 numMergedOcc 0
5 mol 147 unq 0 iso 0 dist 7.2409 7.70253 7.94147 12.5646 12.5048 5.1101 numMergedOcc 0
6 mol 147 unq 1 iso 0 dist 7.2409 7.70253 7.94147 13.2872 12.2623 7.01133 numMergedOcc 0
7 mol 156 unq 0 iso 0 dist 6.78431 7.40662 7.44879 12.3821 7.81605 6.87906 numMergedOcc 0
8 mol 156 unq 1 iso 0 dist 6.78431 7.40662 7.44879 10.4476 5.70108 8.49473 numMergedOcc 0
9 mol 156 unq 2 iso 0 dist 6.78431 7.40662 7.44879 13.1092 11.6326 7.94975 numMergedOcc 0
10 mol 156 unq 3 iso 0 dist 6.78431 7.40662 7.44879 16.1051 16.5468 9.39865 numMergedOcc 0
11 mol 156 unq 4 iso 0 dist 6.78431 6.03398 7.64275 12.3821 7.81605 9.54367 numMergedOcc 0
12 mol 156 unq 5 iso 0 dist 6.78431 6.03398 7.64275 13.1092 11.6326 7.26859 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 8.99149 4.41466 6.86144 10.4914 6.23042 7.345 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 8.99149 4.41466 6.86144 12.7342 12.032 9.52987 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 9.72321 15.8334 9.28463 17.4045 15.9901 9.42618 numMergedOcc 0
16 mol 277 unq 0 iso 0 dist 9.4945 5.16567 9.06496 12.0213 9.69453 7.25677 numMergedOcc 0
17 mol 278 unq 0 iso 0 dist 7.99979 10.723 9.67619 10.5122 6.87868 9.80746 numMergedOcc 0
18 mol 278 unq 1 iso 0 dist 7.99979 10.723 9.67619 16.8852 10.7269 9.48589 numMergedOcc 0
19 mol 278 unq 2 iso 0 dist 8.0742 10.4329 9.67619 13.504 6.87868 9.80746 numMergedOcc 0
20 mol 278 unq 3 iso 0 dist 8.0742 10.4329 9.67619 15.8798 10.7269 9.48589 numMergedOcc 0
21 mol 279 unq 0 iso 0 dist 5.90003 4.81143 7.84195 10.7792 9.55097 8.23056 numMergedOcc 0
