0 mol 10 unq 0 iso 0 dist 9.90359 8.98746 12.7162 9.94602 17.9146 8.7908 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 9.6867 8.91922 6.5312 7.431 6.31089 9.74532 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 5.13138 8.91922 4.45307 7.431 7.07502 9.74532 numMergedOcc 0
3 mol 28 unq 2 iso 0 dist 6.62196 6.42785 5.7604 9.02992 8.73784 8.53424 numMergedOcc 0
4 mol 28 unq 3 iso 0 dist 6.62196 6.42785 5.7604 6.51048 5.47728 7.08766 numMergedOcc 0
5 mol 28 unq 4 iso 0 dist 6.62196 6.42785 5.7604 4.18951 5.39651 4.82199 numMergedOcc 0
6 mol 28 unq 5 iso 0 dist 7.61351 6.42785 9.25982 9.02992 14.9405 8.53424 numMergedOcc 0
7 mol 28 unq 6 iso 0 dist 7.61351 6.42785 9.25982 6.51048 11.5939 7.08766 numMergedOcc 0
8 mol 28 unq 7 iso 0 dist 7.61351 6.42785 9.25982 4.18951 10.095 4.82199 numMergedOcc 0
9 mol 28 unq 8 iso 0 dist 9.6147 5.75809 9.25982 13.5265 14.9405 8.53424 numMergedOcc 0
10 mol 28 unq 9 iso 0 dist 9.6147 5.75809 9.25982 12.1819 11.5939 7.08766 numMergedOcc 0
11 mol 28 unq 10 iso 0 dist 9.6147 5.75809 9.25982 9.28235 10.095 4.82199 numMergedOcc 0
12 mol 72 unq 0 iso 0 dist 6.49242 5.19407 3.76156 4.61081 6.62879 6.79423 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 8.09408 6.2753 4.06365 4.24482 5.72961 4.18248 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 9.60416 5.85622 8.67903 8.09756 15.0583 6.5816 numMergedOcc 0
15 mol 111 unq 0 iso 0 dist 4.86701 8.69371 4.26808 9.05868 4.72339 4.91212 numMergedOcc 0
16 mol 111 unq 1 iso 0 dist 4.86701 8.69371 4.26808 9.16288 7.21505 9.34782 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 9.13081 7.382 4.9293 7.67738 4.48699 7.53342 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 5.77628 4.93944 5.50466 4.49266 9.0233 4.88514 numMergedOcc 0
19 mol 147 unq 0 iso 0 dist 9.95533 8.92048 7.88487 6.68581 9.032 3.82583 numMergedOcc 0
20 mol 147 unq 1 iso 0 dist 9.95533 8.92048 7.88487 4.60169 7.19893 5.19116 numMergedOcc 0
21 mol 147 unq 2 iso 0 dist 7.94147 8.84926 8.40786 13.164 9.032 8.25768 numMergedOcc 0
22 mol 147 unq 3 iso 0 dist 7.94147 8.84926 8.40786 11.3679 7.19893 8.71702 numMergedOcc 0
23 mol 151 unq 0 iso 0 dist 7.28665 8.16646 13.6706 16.5297 22.8864 9.37533 numMergedOcc 0
24 mol 193 unq 0 iso 0 dist 7.46207 6.10013 5.43768 4.40965 11.2075 8.30069 numMergedOcc 0
25 mol 193 unq 1 iso 0 dist 7.46207 6.10013 5.43768 6.04442 10.3286 8.83551 numMergedOcc 0
26 mol 253 unq 0 iso 0 dist 8.72947 8.44543 4.30218 5.37143 6.3738 8.66299 numMergedOcc 0
27 mol 291 unq 0 iso 0 dist 9.42785 7.02207 9.78238 9.16979 17.2798 8.95881 numMergedOcc 0
