0 mol 12 unq 0 iso 0 dist 5.61394 8.15125 9.64703 5.3482 7.96154 7.10076 numMergedOcc 0
1 mol 12 unq 0 iso 1 dist 5.61394 5.3482 7.96154 8.15125 9.64703 7.10076 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.63981 4.9086 7.72069 5.91829 6.61704 4.91651 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 8.63981 5.91829 6.61704 4.9086 7.72069 4.91651 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 8.20574 7.53106 9.36989 12.1717 8.6728 12.1484 numMergedOcc 0
5 mol 98 unq 0 iso 1 dist 8.20574 12.1717 8.6728 7.53106 9.36989 12.1484 numMergedOcc 0
6 mol 102 unq 0 iso 0 dist 4.84683 6.43211 9.61113 6.93587 7.59973 7.56811 numMergedOcc 0
7 mol 102 unq 0 iso 1 dist 4.84683 6.93587 7.59973 6.43211 9.61113 7.56811 numMergedOcc 0
8 mol 108 unq 0 iso 0 dist 6.84546 5.33424 7.59313 6.46975 7.98377 5.90635 numMergedOcc 0
9 mol 108 unq 0 iso 1 dist 6.84546 6.46975 7.98377 5.33424 7.59313 5.90635 numMergedOcc 0
10 mol 120 unq 0 iso 0 dist 9.54174 11.9801 8.86071 15.7288 9.82087 4.97169 numMergedOcc 0
11 mol 120 unq 0 iso 1 dist 9.54174 15.7288 9.82087 11.9801 8.86071 4.97169 numMergedOcc 0
12 mol 120 unq 1 iso 0 dist 6.3314 5.42805 8.86071 5.97517 9.82087 4.97169 numMergedOcc 0
13 mol 120 unq 1 iso 1 dist 6.3314 5.97517 9.82087 5.42805 8.86071 4.97169 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 7.53667 6.78674 7.99446 5.79944 7.21636 5.72609 numMergedOcc 0
15 mol 152 unq 0 iso 1 dist 7.53667 5.79944 7.21636 6.78674 7.99446 5.72609 numMergedOcc 0
16 mol 180 unq 0 iso 0 dist 8.74766 16.6015 8.86377 11.1301 8.47156 10.1976 numMergedOcc 0
17 mol 180 unq 0 iso 1 dist 8.74766 11.1301 8.47156 16.6015 8.86377 10.1976 numMergedOcc 0
18 mol 211 unq 0 iso 0 dist 9.49714 11.4045 5.42004 13.8833 7.73993 10.7154 numMergedOcc 0
19 mol 211 unq 0 iso 1 dist 9.49714 13.8833 7.73993 11.4045 5.42004 10.7154 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 8.87588 6.25318 9.22805 9.63778 9.16648 5.67751 numMergedOcc 0
21 mol 220 unq 0 iso 1 dist 8.87588 9.63778 9.16648 6.25318 9.22805 5.67751 numMergedOcc 0
22 mol 224 unq 0 iso 0 dist 8.27538 6.4556 4.99301 5.66462 6.36813 6.35724 numMergedOcc 0
23 mol 224 unq 0 iso 1 dist 8.27538 5.66462 6.36813 6.4556 4.99301 6.35724 numMergedOcc 0
24 mol 224 unq 1 iso 0 dist 8.38487 6.08348 7.8316 7.15301 9.96759 10.0224 numMergedOcc 0
25 mol 224 unq 1 iso 1 dist 8.38487 7.15301 9.96759 6.08348 7.8316 10.0224 numMergedOcc 0
26 mol 286 unq 0 iso 0 dist 9.92773 5.69037 8.30708 6.54635 8.9718 5.58226 numMergedOcc 0
27 mol 286 unq 0 iso 1 dist 9.92773 6.54635 8.9718 5.69037 8.30708 5.58226 numMergedOcc 0
