0 mol 7 unq 0 iso 0 dist 9.49401 14.8431 6.7985 18.245 9.68596 9.0379 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 9.49401 18.245 9.68596 14.8431 6.7985 9.0379 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 5.94245 5.88932 6.42748 9.21064 7.48342 11.7498 numMergedOcc 0
3 mol 15 unq 0 iso 1 dist 5.94245 9.21064 7.48342 5.88932 6.42748 11.7498 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.12171 10.5449 9.41441 14.617 6.73939 11.4989 numMergedOcc 0
5 mol 24 unq 0 iso 1 dist 8.12171 14.617 6.73939 10.5449 9.41441 11.4989 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 8.80308 9.89708 9.92355 7.71984 5.93884 5.30792 numMergedOcc 0
7 mol 58 unq 0 iso 1 dist 8.80308 7.71984 5.93884 9.89708 9.92355 5.30792 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 8.80308 9.89708 9.92355 4.67517 7.68678 5.35073 numMergedOcc 0
9 mol 58 unq 1 iso 1 dist 8.80308 4.67517 7.68678 9.89708 9.92355 5.35073 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 8.80308 7.71984 5.93884 4.67517 7.68678 4.81926 numMergedOcc 0
11 mol 58 unq 1 iso 1 dist 8.80308 4.67517 7.68678 7.71984 5.93884 4.81926 numMergedOcc 0
12 mol 65 unq 0 iso 0 dist 8.9161 6.80796 6.72639 5.06408 6.76508 5.48814 numMergedOcc 0
13 mol 65 unq 0 iso 1 dist 8.9161 5.06408 6.76508 6.80796 6.72639 5.48814 numMergedOcc 0
14 mol 65 unq 1 iso 0 dist 7.31505 9.49186 7.90294 6.80796 9.34791 14.4691 numMergedOcc 0
15 mol 65 unq 1 iso 1 dist 7.31505 6.80796 9.34791 9.49186 7.90294 14.4691 numMergedOcc 0
16 mol 65 unq 2 iso 0 dist 7.31505 9.49186 7.90294 5.06408 8.22785 10.2941 numMergedOcc 0
17 mol 65 unq 2 iso 1 dist 7.31505 5.06408 8.22785 9.49186 7.90294 10.2941 numMergedOcc 0
18 mol 65 unq 2 iso 0 dist 7.31505 6.80796 9.34791 5.06408 8.22785 5.48814 numMergedOcc 0
19 mol 65 unq 2 iso 1 dist 7.31505 5.06408 8.22785 6.80796 9.34791 5.48814 numMergedOcc 0
20 mol 130 unq 0 iso 0 dist 5.65876 11.4341 9.72053 7.02907 7.7949 15.1532 numMergedOcc 0
21 mol 130 unq 0 iso 1 dist 5.65876 7.02907 7.7949 11.4341 9.72053 15.1532 numMergedOcc 0
22 mol 141 unq 0 iso 0 dist 6.8891 16.1376 9.97343 10.4675 9.70413 11.4307 numMergedOcc 0
23 mol 141 unq 0 iso 1 dist 6.8891 10.4675 9.70413 16.1376 9.97343 11.4307 numMergedOcc 0
24 mol 196 unq 0 iso 0 dist 9.42877 6.94473 6.70531 12.8012 6.86319 10.2747 numMergedOcc 0
25 mol 196 unq 0 iso 1 dist 9.42877 12.8012 6.86319 6.94473 6.70531 10.2747 numMergedOcc 0
26 mol 226 unq 0 iso 0 dist 8.22952 6.25661 8.80683 9.16105 6.11704 5.16662 numMergedOcc 0
27 mol 226 unq 0 iso 1 dist 8.22952 9.16105 6.11704 6.25661 8.80683 5.16662 numMergedOcc 0
28 mol 235 unq 0 iso 0 dist 9.22128 11.3444 9.55668 6.87505 6.95126 9.89669 numMergedOcc 0
29 mol 235 unq 0 iso 1 dist 9.22128 6.87505 6.95126 11.3444 9.55668 9.89669 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 6.62283 10.2134 7.57812 5.88384 9.24557 10.0191 numMergedOcc 0
31 mol 238 unq 0 iso 1 dist 6.62283 5.88384 9.24557 10.2134 7.57812 10.0191 numMergedOcc 0
32 mol 249 unq 0 iso 0 dist 6.7282 8.71871 5.48118 7.87761 7.25858 5.3927 numMergedOcc 0
33 mol 249 unq 0 iso 1 dist 6.7282 7.87761 7.25858 8.71871 5.48118 5.3927 numMergedOcc 0
34 mol 278 unq 0 iso 0 dist 8.91606 15.2651 8.00673 9.04802 6.62841 8.29447 numMergedOcc 0
35 mol 278 unq 0 iso 1 dist 8.91606 9.04802 6.62841 15.2651 8.00673 8.29447 numMergedOcc 0
