0 mol 53 unq 0 iso 0 dist 6.81867 7.03969 5.80365 5.55413 8.69565 11.5527 numMergedOcc 0
1 mol 65 unq 0 iso 0 dist 8.70783 9.42411 13.2346 14.7151 8.9161 21.7673 numMergedOcc 0
2 mol 93 unq 0 iso 0 dist 8.6701 8.345 12.3169 7.44656 8.29506 15.392 numMergedOcc 0
3 mol 93 unq 1 iso 0 dist 8.6701 8.345 12.3169 4.54745 7.24843 10.5259 numMergedOcc 0
4 mol 93 unq 2 iso 0 dist 8.6701 6.06155 9.11323 7.44656 8.29506 12.471 numMergedOcc 0
5 mol 93 unq 3 iso 0 dist 8.6701 6.06155 9.11323 4.54745 7.24843 8.2702 numMergedOcc 0
6 mol 93 unq 4 iso 0 dist 6.85457 8.345 11.9244 7.44656 6.58492 15.392 numMergedOcc 0
7 mol 93 unq 5 iso 0 dist 6.85457 8.345 11.9244 4.54745 7.63783 10.5259 numMergedOcc 0
8 mol 93 unq 6 iso 0 dist 6.85457 6.06155 8.52329 7.44656 6.58492 12.471 numMergedOcc 0
9 mol 93 unq 7 iso 0 dist 6.85457 6.06155 8.52329 4.54745 7.63783 8.2702 numMergedOcc 0
10 mol 107 unq 0 iso 0 dist 8.92347 4.99934 8.49625 5.33186 9.81403 9.81776 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 6.65318 4.30961 4.0719 5.67628 9.32181 8.71568 numMergedOcc 0
12 mol 109 unq 1 iso 0 dist 6.65318 4.30961 4.0719 4.86796 8.46446 5.81859 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 5.7085 6.38269 6.29259 8.43874 9.17878 13.9084 numMergedOcc 0
14 mol 113 unq 1 iso 0 dist 5.7085 7.11196 7.08122 8.43874 9.17878 14.0762 numMergedOcc 0
15 mol 123 unq 0 iso 0 dist 8.29394 7.49032 4.10526 9.0296 7.36361 8.35926 numMergedOcc 0
16 mol 123 unq 1 iso 0 dist 5.98534 7.04627 4.10526 6.33531 7.36361 8.35926 numMergedOcc 0
17 mol 130 unq 0 iso 0 dist 9.73325 9.48604 3.90693 5.92054 5.65876 7.50304 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 7.27978 9.3032 3.7326 10.4172 7.71806 4.55528 numMergedOcc 0
19 mol 225 unq 0 iso 0 dist 8.65088 7.22151 3.87855 4.40718 8.84033 5.65735 numMergedOcc 0
20 mol 252 unq 0 iso 0 dist 6.7021 4.15692 3.99887 4.87406 8.35637 5.2116 numMergedOcc 0
21 mol 278 unq 0 iso 0 dist 8.31165 8.69111 8.79088 4.25803 9.62872 7.73107 numMergedOcc 0
