0 mol 7 unq 0 iso 0 dist 6.22805 5.99355 5.72491 12.2255 9.67164 8.0744 13.3926 12.2041 7.88043 5.99459 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.35095 6.80952 4.93188 5.06352 6.6219 8.32592 12.4687 12.3067 9.24958 11.0181 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.35095 6.80952 4.93188 7.63533 5.68215 8.10397 12.4687 12.3067 9.24958 17.003 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 5.87895 9.6739 9.24958 6.87351 8.87744 7.55689 11.0381 12.3067 4.93188 10.4135 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 5.87895 9.6739 9.24958 7.79018 7.27472 5.11135 11.0381 12.3067 4.93188 9.33482 numMergedOcc 0
5 mol 38 unq 0 iso 0 dist 7.57586 8.4072 7.05737 5.45205 9.19165 5.26748 10.3065 5.64331 7.54179 10.9308 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 6.30194 14.8714 8.73253 10.7557 8.68662 10.9746 10.392 5.4148 7.04044 12.2276 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 6.30194 14.8714 8.73253 11.1632 7.4369 7.8972 10.392 5.4148 7.04044 9.73086 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 5.79954 5.67493 7.04044 11.5216 9.73086 7.8972 10.4766 5.4148 8.73253 7.4369 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 7.01889 11.2215 7.04044 16.3376 9.73086 7.8972 10.997 5.4148 8.73253 7.4369 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 7.4371 5.02505 8.67766 5.28562 9.77497 9.03468 10.4795 6.48636 8.0831 13.3828 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 8.35164 5.51584 6.78038 6.13615 9.02706 8.90959 9.43616 4.8896 6.47042 8.47988 numMergedOcc 0
12 mol 112 unq 1 iso 0 dist 8.35164 5.51584 6.78038 4.49971 9.39168 4.4941 9.43616 4.8896 6.47042 8.0427 numMergedOcc 0
13 mol 112 unq 2 iso 0 dist 9.43616 5.51584 6.47042 6.13615 8.47988 8.90959 8.35164 4.8896 6.78038 9.02706 numMergedOcc 0
14 mol 112 unq 3 iso 0 dist 9.43616 5.51584 6.47042 4.49971 8.0427 4.4941 8.35164 4.8896 6.78038 9.39168 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 7.45401 8.19136 7.20574 5.85073 6.61112 8.58039 11.5381 5.74635 6.85302 11.456 numMergedOcc 0
16 mol 229 unq 0 iso 0 dist 8.0007 7.57247 5.77318 6.80826 6.95201 6.93188 12.776 7.0298 8.92743 7.27993 numMergedOcc 0
17 mol 229 unq 1 iso 0 dist 8.0007 7.57247 5.77318 6.80826 6.95201 6.93188 13.2481 5.5729 8.08082 11.0297 numMergedOcc 0
18 mol 229 unq 2 iso 0 dist 8.0007 7.57247 5.77318 6.80826 6.95201 6.93188 10.7479 9.96077 8.19603 14.1436 numMergedOcc 0
19 mol 248 unq 0 iso 0 dist 6.44967 4.01898 6.17052 9.33595 9.05018 7.14182 11.4848 5.55137 9.77666 9.33962 numMergedOcc 0
20 mol 264 unq 0 iso 0 dist 6.80096 5.04055 6.42588 8.11813 9.58916 7.36132 10.9135 8.96144 7.52281 5.90924 numMergedOcc 0
