0 mol 0 unq 0 iso 0 dist 9.5614 9.40697 6.94181 13.8872 12.6486 5.98788 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 5.55156 7.16694 6.94181 11.9221 12.6486 5.98788 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 6.99398 8.1892 8.70949 14.3445 13.6485 9.67641 numMergedOcc 0
3 mol 67 unq 1 iso 0 dist 8.64208 6.22963 8.70949 5.63802 13.6485 9.67641 numMergedOcc 0
4 mol 75 unq 0 iso 0 dist 7.16583 9.00615 8.2147 13.1351 10.1786 9.3727 numMergedOcc 0
5 mol 75 unq 1 iso 0 dist 7.118 10.7293 8.2147 16.6133 10.1786 9.3727 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 9.22376 13.7516 6.56728 14.8376 7.48183 9.78563 numMergedOcc 0
7 mol 91 unq 0 iso 0 dist 8.30169 9.53401 9.00902 13.5 7.53829 8.7005 numMergedOcc 0
8 mol 91 unq 1 iso 0 dist 8.30169 9.53401 9.00902 16.1847 12.9568 8.2802 numMergedOcc 0
9 mol 91 unq 2 iso 0 dist 8.91983 13.4637 9.00902 16.0598 7.53829 8.7005 numMergedOcc 0
10 mol 91 unq 3 iso 0 dist 8.91983 13.4637 9.00902 20.1545 12.9568 8.2802 numMergedOcc 0
11 mol 162 unq 0 iso 0 dist 9.42819 13.5359 8.46796 14.628 5.8736 8.71549 numMergedOcc 0
12 mol 185 unq 0 iso 0 dist 9.59096 8.43625 6.89879 6.68054 4.74713 8.94849 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 8.9077 11.9931 6.21273 7.46122 7.11498 7.58118 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 9.27989 9.44182 6.83046 13.7183 9.59042 9.25097 numMergedOcc 0
15 mol 256 unq 0 iso 0 dist 8.43264 7.68659 5.98967 15.3583 7.7384 9.31961 numMergedOcc 0
16 mol 279 unq 0 iso 0 dist 6.47376 4.77763 8.68797 9.29922 12.6502 5.21664 numMergedOcc 0
17 mol 279 unq 1 iso 0 dist 9.6147 5.44699 8.68797 10.1555 12.6502 5.21664 numMergedOcc 0
18 mol 280 unq 0 iso 0 dist 8.27417 10.5216 8.80588 15.555 14.1713 9.55885 numMergedOcc 0
