0 mol 1 unq 0 iso 0 dist 8.40848 9.02078 6.4181 8.7275 5.06184 6.86701 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 9.26381 5.18181 7.63928 11.6221 4.88495 7.99919 numMergedOcc 0
2 mol 38 unq 0 iso 0 dist 9.49676 6.12182 5.73067 6.12374 5.96514 7.26639 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 5.35101 7.71984 6.36193 6.86485 4.99692 9.22598 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 5.35101 4.67517 4.88613 6.86485 4.99692 8.96727 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 5.35101 4.67517 4.88613 8.37546 3.70586 8.01308 numMergedOcc 0
6 mol 58 unq 3 iso 0 dist 8.68381 12.5529 6.36193 9.76234 4.99692 9.22598 numMergedOcc 0
7 mol 58 unq 4 iso 0 dist 8.68381 8.47822 4.88613 9.76234 4.99692 8.96727 numMergedOcc 0
8 mol 58 unq 5 iso 0 dist 8.68381 8.47822 4.88613 10.1165 3.70586 8.01308 numMergedOcc 0
9 mol 67 unq 0 iso 0 dist 5.16558 6.27668 9.46247 6.89527 3.77705 8.3733 numMergedOcc 0
10 mol 69 unq 0 iso 0 dist 7.17678 5.08122 5.47319 9.18161 4.69809 5.99857 numMergedOcc 0
11 mol 69 unq 1 iso 0 dist 7.17678 9.69519 9.8809 9.18161 4.69809 6.9362 numMergedOcc 0
12 mol 81 unq 0 iso 0 dist 9.89076 10.937 9.08307 12.0278 3.71228 7.07095 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 8.21127 6.86762 5.02717 6.17349 5.33827 7.69765 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 8.21127 6.86762 5.02717 9.21978 12.6105 9.42082 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 5.7232 6.80087 5.82404 7.33743 11.5628 8.77023 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 5.08796 10.9813 9.84952 11.1968 7.19461 6.64173 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 5.08796 10.9813 9.84952 9.45579 9.77747 9.01624 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 5.08796 10.9813 9.84952 11.3781 10.0615 9.55105 numMergedOcc 0
19 mol 181 unq 3 iso 0 dist 5.93515 10.7307 7.41378 9.45579 4.76079 5.05973 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 4.85577 7.37734 8.03995 11.3685 11.8169 7.2793 numMergedOcc 0
21 mol 186 unq 1 iso 0 dist 4.85577 7.37734 8.03995 14.4839 14.1849 9.51091 numMergedOcc 0
22 mol 186 unq 2 iso 0 dist 4.85577 7.37734 8.03995 7.81696 3.85767 7.85184 numMergedOcc 0
23 mol 186 unq 3 iso 0 dist 9.44772 14.1208 8.03995 17.6378 11.8169 7.2793 numMergedOcc 0
24 mol 186 unq 4 iso 0 dist 9.44772 14.1208 8.03995 20.8744 14.1849 9.51091 numMergedOcc 0
25 mol 186 unq 5 iso 0 dist 9.44772 14.1208 8.03995 12.6991 3.85767 7.85184 numMergedOcc 0
26 mol 220 unq 0 iso 0 dist 9.86936 10.0276 7.16386 13.9618 4.94998 8.2123 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 8.93002 5.56656 8.06771 13.6039 9.0675 9.46361 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 6.83706 9.03495 6.42725 14.1043 11.761 8.03219 numMergedOcc 0
29 mol 259 unq 2 iso 0 dist 6.83706 9.03495 6.42725 11.7827 6.09466 6.9899 numMergedOcc 0
30 mol 277 unq 0 iso 0 dist 9.84936 5.07427 8.51931 10.2547 6.17642 9.57499 numMergedOcc 0
31 mol 277 unq 1 iso 0 dist 9.84936 10.2752 8.96343 10.2547 6.17642 5.46926 numMergedOcc 0
32 mol 277 unq 2 iso 0 dist 9.84936 10.2752 8.96343 13.0612 8.24206 5.13913 numMergedOcc 0
