0 mol 20 unq 0 iso 0 dist 8.67928 7.3057 4.74809 6.29237 10.5097 7.14069 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 8.67928 7.3057 4.74809 9.24286 12.7656 8.58641 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 8.67928 7.3057 4.74809 10.5059 10.2902 5.99466 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 8.67928 13.0142 5.86181 10.5059 10.2902 9.07213 numMergedOcc 0
4 mol 20 unq 4 iso 0 dist 6.86736 9.33424 7.43882 15.3171 10.3149 7.14069 numMergedOcc 0
5 mol 20 unq 5 iso 0 dist 6.86736 9.33424 7.43882 15.6 9.84883 8.58641 numMergedOcc 0
6 mol 20 unq 6 iso 0 dist 6.86736 9.33424 7.43882 10.9002 5.22924 5.99466 numMergedOcc 0
7 mol 20 unq 7 iso 0 dist 6.86736 3.61632 6.3253 10.9002 5.22924 9.07213 numMergedOcc 0
8 mol 20 unq 8 iso 0 dist 8.17383 9.33424 7.31198 15.3171 11.2406 7.14069 numMergedOcc 0
9 mol 20 unq 9 iso 0 dist 8.17383 9.33424 7.31198 15.6 13.0235 8.58641 numMergedOcc 0
10 mol 20 unq 10 iso 0 dist 8.17383 9.33424 7.31198 10.9002 9.92781 5.99466 numMergedOcc 0
11 mol 20 unq 11 iso 0 dist 8.17383 3.61632 5.80568 10.9002 9.92781 9.07213 numMergedOcc 0
12 mol 26 unq 0 iso 0 dist 8.35396 4.27162 6.56527 9.72287 4.76998 6.81793 numMergedOcc 0
13 mol 91 unq 0 iso 0 dist 9.44289 11.0296 8.66165 5.97918 10.6223 8.77355 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 9.66687 5.06665 5.87084 11.9866 6.11089 7.75314 numMergedOcc 0
15 mol 131 unq 1 iso 0 dist 9.68242 7.7998 5.87084 9.85884 6.11089 7.75314 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 8.966 5.21958 8.95662 5.47256 6.24625 8.83732 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 7.01507 5.51309 6.40575 11.8636 15.0575 9.0176 numMergedOcc 0
18 mol 171 unq 0 iso 0 dist 6.73995 9.23265 5.25109 15.0986 11.4851 7.47964 numMergedOcc 0
19 mol 171 unq 1 iso 0 dist 8.619 7.86006 5.25109 10.5988 11.4851 7.47964 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 8.84599 5.96277 5.94379 14.6953 9.56782 9.88897 numMergedOcc 0
21 mol 184 unq 0 iso 0 dist 9.02161 5.9935 7.54099 9.65155 7.81466 7.81263 numMergedOcc 0
22 mol 184 unq 1 iso 0 dist 8.38137 8.11291 7.54099 4.56607 7.81466 7.81263 numMergedOcc 0
23 mol 192 unq 0 iso 0 dist 9.8155 7.52403 6.60053 11.3707 5.80651 9.40971 numMergedOcc 0
24 mol 192 unq 1 iso 0 dist 9.8155 6.91699 9.36796 11.3707 5.80651 9.8428 numMergedOcc 0
25 mol 225 unq 0 iso 0 dist 7.93342 6.88681 8.37739 6.23614 5.8463 9.82043 numMergedOcc 0
26 mol 225 unq 1 iso 0 dist 7.93342 4.55231 9.47237 6.23614 5.8463 8.22922 numMergedOcc 0
27 mol 232 unq 0 iso 0 dist 6.02641 6.25229 9.8664 12.9996 11.2243 9.9183 numMergedOcc 0
