0 mol 16 unq 0 iso 0 dist 6.32791 11.2652 9.04834 11.1182 7.65889 5.37568 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 4.82342 4.28643 7.57586 6.15452 9.19165 5.45205 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 6.47132 5.87975 6.46655 6.13703 6.56212 9.85425 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 9.74289 12.791 6.87176 5.37144 7.39665 8.41932 numMergedOcc 0
4 mol 68 unq 1 iso 0 dist 9.74289 10.2048 5.57389 5.37144 7.39665 8.95801 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 7.36475 8.53213 4.83274 8.41297 9.6952 8.55291 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 7.36475 5.28721 7.89214 8.41297 9.6952 13.2696 numMergedOcc 0
7 mol 78 unq 0 iso 0 dist 8.40871 15.4995 9.99029 10.8182 6.85523 14.4224 numMergedOcc 0
8 mol 78 unq 1 iso 0 dist 8.40871 15.4995 9.99029 3.48199 5.77326 14.5688 numMergedOcc 0
9 mol 95 unq 0 iso 0 dist 6.5136 7.53046 9.40559 5.9335 9.3948 12.698 numMergedOcc 0
10 mol 95 unq 1 iso 0 dist 6.5136 7.53046 9.40559 9.88003 9.74607 12.5563 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 9.13413 9.5263 9.43616 11.7536 8.47988 6.13615 numMergedOcc 0
12 mol 112 unq 1 iso 0 dist 9.13413 9.5263 9.43616 5.8662 8.0427 4.49971 numMergedOcc 0
13 mol 123 unq 0 iso 0 dist 7.89237 5.76997 8.43313 7.48885 9.91773 5.23317 numMergedOcc 0
14 mol 170 unq 0 iso 0 dist 7.665 6.63708 7.15418 5.03025 9.08274 10.4801 numMergedOcc 0
15 mol 182 unq 0 iso 0 dist 7.21035 8.31643 9.36307 4.16926 9.56028 5.62883 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 5.47189 3.91816 7.45401 6.7954 6.61112 5.85073 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 9.65951 6.79211 7.7292 4.51957 7.9133 5.99091 numMergedOcc 0
18 mol 204 unq 1 iso 0 dist 9.14829 12.0168 7.7292 9.9552 7.9133 5.99091 numMergedOcc 0
19 mol 214 unq 0 iso 0 dist 9.33638 4.51173 9.40003 10.2403 7.46481 7.66602 numMergedOcc 0
20 mol 214 unq 1 iso 0 dist 9.33638 16.1753 8.68385 10.2403 7.46481 15.5553 numMergedOcc 0
21 mol 232 unq 0 iso 0 dist 6.94983 12.1757 7.47238 7.30782 6.71524 6.2559 numMergedOcc 0
22 mol 264 unq 0 iso 0 dist 6.66602 5.17977 6.80096 12.6107 9.58916 8.11813 numMergedOcc 0
23 mol 276 unq 0 iso 0 dist 6.97104 8.68481 5.30976 9.98339 8.6759 3.87012 numMergedOcc 0
24 mol 276 unq 1 iso 0 dist 8.63281 7.83895 5.30976 7.37489 8.6759 3.87012 numMergedOcc 0
