0 mol 0 unq 0 iso 0 dist 9.89568 4.80868 6.8892 10.296 5.85361 5.55156 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 5.25583 5.77108 6.6051 10.9157 6.67154 8.17618 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 8.58468 9.26114 7.34681 14.7534 13.5023 6.53817 numMergedOcc 0
3 mol 17 unq 1 iso 0 dist 8.58468 9.26114 7.34681 16.5933 15.703 9.81769 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 9.08536 16.6438 7.69637 15.7396 9.1927 6.85331 numMergedOcc 0
5 mol 42 unq 0 iso 0 dist 9.50049 8.14608 5.52834 12.1172 4.38082 8.52254 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 7.99735 13.11 9.53081 17.0309 12.299 5.36645 numMergedOcc 0
7 mol 48 unq 1 iso 0 dist 9.7516 4.99432 9.53081 10.3214 12.299 5.36645 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 7.85826 7.26196 5.66803 10.0975 5.9853 5.54343 numMergedOcc 0
9 mol 64 unq 1 iso 0 dist 7.85826 7.27834 8.85416 12.9323 6.43864 9.99634 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 8.93939 16.0604 8.90896 10.7814 4.78435 5.79954 numMergedOcc 0
11 mol 76 unq 0 iso 0 dist 7.63813 11.1941 7.48127 15.3417 10.6009 4.83274 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 5.56645 9.91621 8.53914 13.3377 9.09837 7.4371 numMergedOcc 0
13 mol 124 unq 0 iso 0 dist 8.45451 12.0208 7.18976 9.5585 5.1738 7.23052 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 8.61918 15.6785 8.76088 11.2882 8.99025 8.96061 numMergedOcc 0
15 mol 140 unq 0 iso 0 dist 9.16949 11.7651 9.13339 15.129 7.94378 8.28732 numMergedOcc 0
16 mol 170 unq 0 iso 0 dist 6.3247 5.97193 4.44987 10.8215 4.81264 7.15418 numMergedOcc 0
17 mol 174 unq 0 iso 0 dist 8.36618 9.60153 8.16228 6.90813 4.69892 7.03029 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 7.90753 7.11843 9.40718 8.80581 5.32364 9.63295 numMergedOcc 0
19 mol 189 unq 0 iso 0 dist 9.46859 4.50095 6.38294 12.1108 6.35993 8.57361 numMergedOcc 0
20 mol 212 unq 0 iso 0 dist 9.50443 13.9428 6.36102 12.3735 4.06334 7.3529 numMergedOcc 0
21 mol 220 unq 0 iso 0 dist 9.85507 5.58779 6.50756 13.3756 5.55687 9.85951 numMergedOcc 0
22 mol 236 unq 0 iso 0 dist 7.61854 11.7831 8.63249 11.0371 13.6195 9.97357 numMergedOcc 0
23 mol 236 unq 1 iso 0 dist 7.61854 11.7831 8.63249 5.99137 7.45579 6.36941 numMergedOcc 0
24 mol 236 unq 2 iso 0 dist 7.61854 8.73194 7.74348 12.7689 13.0929 9.96011 numMergedOcc 0
25 mol 240 unq 0 iso 0 dist 8.24704 7.11628 7.19218 7.0935 5.36005 6.83069 numMergedOcc 0
26 mol 240 unq 1 iso 0 dist 8.24704 7.11628 7.19218 7.12912 4.4564 9.30995 numMergedOcc 0
27 mol 241 unq 0 iso 0 dist 5.42605 6.5604 7.26758 8.18588 7.3737 6.40592 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 7.87577 4.69752 8.10903 14.1869 13.3533 9.67877 numMergedOcc 0
29 mol 258 unq 1 iso 0 dist 7.87577 4.69752 8.10903 5.31858 5.90131 8.81059 numMergedOcc 0
30 mol 258 unq 2 iso 0 dist 7.87577 4.69752 8.10903 5.71851 9.68064 9.12006 numMergedOcc 0
31 mol 258 unq 3 iso 0 dist 5.86702 4.18036 8.70193 5.31858 4.51422 7.9357 numMergedOcc 0
32 mol 258 unq 4 iso 0 dist 5.86702 4.18036 8.70193 5.71851 4.99997 5.79537 numMergedOcc 0
33 mol 258 unq 5 iso 0 dist 5.86702 4.69752 7.25618 14.1869 15.0574 9.67877 numMergedOcc 0
34 mol 258 unq 6 iso 0 dist 5.86702 4.69752 7.25618 5.31858 4.51422 8.81059 numMergedOcc 0
35 mol 258 unq 7 iso 0 dist 5.86702 4.69752 7.25618 5.71851 4.99997 9.12006 numMergedOcc 0
36 mol 274 unq 0 iso 0 dist 8.95153 7.77559 9.34051 14.1444 7.24261 9.81087 numMergedOcc 0
37 mol 280 unq 0 iso 0 dist 8.54653 6.25509 9.76967 14.997 18.1328 9.26066 numMergedOcc 0
38 mol 280 unq 1 iso 0 dist 8.71581 7.74111 9.76967 12.5446 18.1328 9.26066 numMergedOcc 0
39 mol 280 unq 2 iso 0 dist 9.79817 13.8226 9.76967 19.0085 18.1328 9.26066 numMergedOcc 0
40 mol 281 unq 0 iso 0 dist 7.90993 11.8486 6.58925 17.1776 9.49279 9.48968 numMergedOcc 0
41 mol 294 unq 0 iso 0 dist 8.90069 10.2133 9.22572 12.0867 4.40208 8.52208 numMergedOcc 0
