0 mol 9 unq 0 iso 0 dist 7.38646 9.45451 4.09467 6.89784 4.74921 8.78573 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 6.51048 5.47728 7.08766 numMergedOcc 0
4 mol 28 unq 3 iso 0 dist 6.62196 6.42785 5.7604 4.18951 5.39651 4.82199 numMergedOcc 0
5 mol 28 unq 4 iso 0 dist 7.61351 6.42785 9.25982 10.1563 8.48468 12.052 numMergedOcc 0
6 mol 28 unq 5 iso 0 dist 9.6147 5.75809 9.25982 8.04432 8.48468 12.052 numMergedOcc 0
7 mol 72 unq 0 iso 0 dist 6.49242 5.19407 3.76156 4.61081 6.62879 6.79423 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 8.09408 6.2753 4.06365 4.24482 5.72961 4.18248 numMergedOcc 0
9 mol 111 unq 0 iso 0 dist 4.86701 8.69371 4.26808 9.05868 4.72339 4.91212 numMergedOcc 0
10 mol 111 unq 1 iso 0 dist 4.86701 8.69371 4.26808 6.41502 6.48902 9.896 numMergedOcc 0
11 mol 111 unq 2 iso 0 dist 4.86701 8.69371 4.26808 9.16288 7.21505 9.34782 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 9.13081 7.382 4.9293 7.67738 4.48699 7.53342 numMergedOcc 0
13 mol 147 unq 0 iso 0 dist 9.95533 8.92048 7.88487 4.60169 7.19893 5.19116 numMergedOcc 0
14 mol 147 unq 1 iso 0 dist 9.95533 8.92048 7.88487 9.0113 6.37938 8.45156 numMergedOcc 0
15 mol 147 unq 2 iso 0 dist 7.94147 8.84926 8.40786 11.3679 7.19893 8.71702 numMergedOcc 0
16 mol 147 unq 3 iso 0 dist 7.94147 8.84926 8.40786 13.5566 6.37938 11.7923 numMergedOcc 0
17 mol 209 unq 0 iso 0 dist 9.93982 9.81506 12.9933 14.1041 9.90699 21.2838 numMergedOcc 0
18 mol 253 unq 0 iso 0 dist 8.72947 8.24401 8.4971 3.99655 9.86765 11.9519 numMergedOcc 0
19 mol 253 unq 1 iso 0 dist 8.72947 8.24401 8.4971 5.37143 6.3738 10.2265 numMergedOcc 0
20 mol 253 unq 2 iso 0 dist 8.72947 8.44543 4.30218 3.99655 9.86765 10.9358 numMergedOcc 0
21 mol 253 unq 3 iso 0 dist 8.72947 8.44543 4.30218 5.37143 6.3738 8.66299 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 9.44207 7.70811 8.42538 7.57724 9.76998 11.9455 numMergedOcc 0
