0 mol 28 unq 0 iso 0 dist 5.38074 7.98041 7.37857 11.0978 6.5312 7.49391 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 5.38074 4.08844 8.08195 12.345 14.4182 8.47637 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 9.07545 7.98041 4.7978 11.0978 4.45307 7.49391 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 6.77538 4.08844 5.78587 12.345 9.25982 8.47637 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 5.86571 4.30611 7.3576 5.42296 3.91174 6.28905 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 8.80104 6.29218 5.44028 12.0508 13.0221 8.32093 numMergedOcc 0
6 mol 107 unq 0 iso 0 dist 8.13921 6.01678 5.9385 12.5417 5.0838 8.15179 numMergedOcc 0
7 mol 111 unq 0 iso 0 dist 9.41723 4.98364 6.98727 7.75479 3.75797 7.24101 numMergedOcc 0
8 mol 111 unq 1 iso 0 dist 7.92876 4.81641 6.63857 9.56723 4.26808 6.34004 numMergedOcc 0
9 mol 148 unq 0 iso 0 dist 8.12589 12.0468 6.49708 11.2534 3.94083 8.88297 numMergedOcc 0
10 mol 150 unq 0 iso 0 dist 8.11592 12.1191 6.45018 11.256 3.99423 8.82984 numMergedOcc 0
11 mol 194 unq 0 iso 0 dist 9.77862 8.35231 7.39369 13.0738 10.0237 8.93352 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 9.83885 10.0576 5.96238 14.9615 6.72925 8.42716 numMergedOcc 0
13 mol 205 unq 1 iso 0 dist 9.83885 15.5169 8.24405 15.7074 7.1653 9.66947 numMergedOcc 0
14 mol 205 unq 2 iso 0 dist 9.83885 15.5169 8.24405 14.9615 6.72925 5.69652 numMergedOcc 0
15 mol 205 unq 3 iso 0 dist 5.42696 10.0576 7.85966 14.9615 10.2944 8.42716 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 9.51311 18.5505 9.96989 14.3217 5.85068 5.3772 numMergedOcc 0
17 mol 258 unq 1 iso 0 dist 9.51311 18.5505 9.96989 21.8047 12.3165 7.59138 numMergedOcc 0
18 mol 258 unq 2 iso 0 dist 9.51311 7.61474 4.57246 14.3217 5.85068 8.70007 numMergedOcc 0
