0 mol 1 unq 0 iso 0 dist 8.40848 8.7275 5.06184 9.02078 6.4181 6.86701 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 9.49676 6.12374 5.96514 6.12182 5.73067 7.26639 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 5.35101 6.86485 4.99692 7.71984 6.36193 9.22598 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 5.35101 6.86485 4.99692 4.67517 4.88613 8.96727 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 5.35101 8.37546 3.70586 4.67517 4.88613 8.01308 numMergedOcc 0
5 mol 58 unq 3 iso 0 dist 8.68381 9.76234 4.99692 12.5529 6.36193 9.22598 numMergedOcc 0
6 mol 58 unq 4 iso 0 dist 8.68381 9.76234 4.99692 8.47822 4.88613 8.96727 numMergedOcc 0
7 mol 67 unq 0 iso 0 dist 5.16558 6.89527 3.77705 6.27668 9.46247 8.3733 numMergedOcc 0
8 mol 67 unq 1 iso 0 dist 9.62459 6.89527 7.64337 6.27668 14.1308 8.3733 numMergedOcc 0
9 mol 69 unq 0 iso 0 dist 7.17678 9.18161 4.69809 5.08122 5.47319 5.99857 numMergedOcc 0
10 mol 69 unq 1 iso 0 dist 7.17678 9.18161 4.69809 9.69519 9.8809 6.9362 numMergedOcc 0
11 mol 93 unq 0 iso 0 dist 8.84466 5.46186 12.9872 10.2851 10.9618 9.22631 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 9.2948 5.46186 5.17052 10.2851 13.0776 9.22631 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 8.21127 6.17349 5.33827 6.86762 5.02717 7.69765 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 8.21127 9.21978 12.6105 10.3475 12.5189 6.39384 numMergedOcc 0
15 mol 115 unq 2 iso 0 dist 8.21127 9.21978 12.6105 6.86762 5.02717 9.42082 numMergedOcc 0
16 mol 115 unq 3 iso 0 dist 7.99121 9.26505 12.8905 10.0419 12.6493 6.24825 numMergedOcc 0
17 mol 115 unq 4 iso 0 dist 6.30982 9.26505 11.7277 10.0419 13.7044 6.24825 numMergedOcc 0
18 mol 115 unq 5 iso 0 dist 6.12404 9.26505 8.29196 10.0419 12.5192 6.24825 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 5.59311 7.33743 3.84992 6.80087 9.84918 8.77023 numMergedOcc 0
20 mol 133 unq 1 iso 0 dist 9.22456 7.33743 5.68827 6.80087 11.3707 8.77023 numMergedOcc 0
21 mol 133 unq 2 iso 0 dist 5.7232 7.33743 11.5628 6.80087 5.82404 8.77023 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 8.92685 7.83476 5.31548 5.49497 10.5756 6.64173 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 4.85577 7.81696 3.85767 7.37734 8.03995 7.85184 numMergedOcc 0
24 mol 235 unq 0 iso 0 dist 9.61454 9.42801 4.46929 15.4299 10.3464 8.19317 numMergedOcc 0
25 mol 235 unq 1 iso 0 dist 9.61454 9.42801 4.46929 10.8094 9.4144 5.1823 numMergedOcc 0
26 mol 241 unq 0 iso 0 dist 7.79013 6.2767 7.9986 7.9304 13.8401 7.95042 numMergedOcc 0
27 mol 243 unq 0 iso 0 dist 6.81644 7.13476 6.76489 11.3833 12.6762 8.69318 numMergedOcc 0
