0 mol 11 unq 0 iso 0 dist 5.95165 7.95811 9.62262 6.50001 4.10106 6.56765 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.88413 7.05148 5.30154 8.27137 11.4148 11.0175 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 9.87281 7.05148 5.64303 8.27137 14.1577 11.0175 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 7.63928 7.05148 5.82503 8.27137 14.321 11.0175 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 9.7522 8.99751 10.797 9.90986 7.11305 5.29055 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 9.7522 9.44507 10.9837 9.90986 7.11305 4.76998 numMergedOcc 0
6 mol 30 unq 0 iso 0 dist 5.5814 8.51496 8.32637 8.98564 5.53425 5.58618 numMergedOcc 0
7 mol 30 unq 1 iso 0 dist 5.5814 8.51496 8.32637 7.51725 4.20285 7.28949 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 6.36193 5.84625 9.95364 8.85156 4.23671 10.5604 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 4.88613 5.84625 5.49591 8.85156 5.6823 10.5604 numMergedOcc 0
10 mol 63 unq 0 iso 0 dist 8.94945 8.51942 15.1493 8.28839 4.27178 12.0805 numMergedOcc 0
11 mol 63 unq 1 iso 0 dist 8.94945 8.51942 15.1493 7.07396 11.6765 3.95673 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 8.69069 9.49995 6.71199 9.70292 7.26851 5.88327 numMergedOcc 0
13 mol 95 unq 1 iso 0 dist 8.69069 9.49995 6.71199 9.59704 9.13016 3.96826 numMergedOcc 0
14 mol 95 unq 2 iso 0 dist 9.65047 9.49995 11.4333 9.70292 14.2178 5.88327 numMergedOcc 0
15 mol 95 unq 3 iso 0 dist 9.65047 9.49995 11.4333 9.59704 8.78079 3.96826 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 5.9747 9.25249 14.3413 8.3505 3.9764 17.4008 numMergedOcc 0
17 mol 98 unq 1 iso 0 dist 5.9747 9.25249 14.3413 7.34638 7.03983 11.5696 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 7.91337 8.4733 5.92984 5.90003 6.30721 10.3622 numMergedOcc 0
19 mol 119 unq 1 iso 0 dist 6.40546 8.4733 7.45148 5.90003 10.5082 10.3622 numMergedOcc 0
20 mol 119 unq 2 iso 0 dist 8.82535 9.34823 6.09547 9.10803 9.20252 14.1584 numMergedOcc 0
21 mol 119 unq 3 iso 0 dist 6.18763 9.34823 5.13589 9.10803 9.85023 14.1584 numMergedOcc 0
22 mol 119 unq 4 iso 0 dist 8.44385 9.34823 10.8661 9.10803 12.4829 14.1584 numMergedOcc 0
23 mol 119 unq 5 iso 0 dist 5.63005 9.34823 12.0175 9.10803 8.84069 14.1584 numMergedOcc 0
24 mol 169 unq 0 iso 0 dist 9.46833 7.91434 4.62636 6.00783 6.52671 5.52164 numMergedOcc 0
25 mol 169 unq 1 iso 0 dist 9.46833 7.79437 5.81985 6.00783 6.52671 8.86736 numMergedOcc 0
26 mol 171 unq 0 iso 0 dist 6.07091 6.80086 7.35753 6.51523 7.5383 5.3374 numMergedOcc 0
27 mol 205 unq 0 iso 0 dist 6.752 7.23557 5.8535 6.41148 8.67921 9.86388 numMergedOcc 0
28 mol 205 unq 1 iso 0 dist 8.10287 8.86587 14.0496 5.06713 8.90569 9.86388 numMergedOcc 0
29 mol 205 unq 2 iso 0 dist 8.10287 8.86587 14.0496 8.69512 6.37317 16.7363 numMergedOcc 0
30 mol 205 unq 3 iso 0 dist 5.4913 8.86587 5.8535 5.06713 8.67921 9.86388 numMergedOcc 0
31 mol 205 unq 4 iso 0 dist 5.4913 8.86587 5.8535 8.69512 12.8695 16.7363 numMergedOcc 0
32 mol 206 unq 0 iso 0 dist 9.78438 8.15381 11.7977 8.79378 7.89575 5.70985 numMergedOcc 0
33 mol 222 unq 0 iso 0 dist 7.85877 5.89818 7.75656 8.86886 8.34852 6.67077 numMergedOcc 0
34 mol 222 unq 1 iso 0 dist 7.85877 9.32543 16.0949 8.86886 8.34852 16.6736 numMergedOcc 0
35 mol 236 unq 0 iso 0 dist 6.11137 8.37813 9.52712 9.94117 10.5937 3.86189 numMergedOcc 0
36 mol 236 unq 1 iso 0 dist 6.11137 9.25988 4.79879 9.94117 10.5937 13.1595 numMergedOcc 0
37 mol 236 unq 2 iso 0 dist 7.89744 8.37813 14.1812 9.94117 14.162 3.86189 numMergedOcc 0
38 mol 236 unq 3 iso 0 dist 7.89744 9.25988 4.32284 9.94117 14.162 13.1595 numMergedOcc 0
39 mol 244 unq 0 iso 0 dist 7.65388 5.79898 5.17744 9.11416 6.89444 5.30519 numMergedOcc 0
40 mol 274 unq 0 iso 0 dist 6.55855 9.11072 6.16703 4.97796 8.87855 13.3632 numMergedOcc 0
41 mol 274 unq 1 iso 0 dist 6.55855 6.83113 5.64601 4.97796 8.87855 5.39432 numMergedOcc 0
42 mol 274 unq 2 iso 0 dist 6.55855 9.44134 6.52035 4.97796 8.87855 10.7442 numMergedOcc 0
43 mol 274 unq 3 iso 0 dist 9.52894 9.11072 6.40141 4.97796 13.0867 13.3632 numMergedOcc 0
44 mol 274 unq 4 iso 0 dist 9.52894 6.83113 10.5941 4.97796 13.0867 5.39432 numMergedOcc 0
45 mol 274 unq 5 iso 0 dist 9.52894 9.44134 5.71192 4.97796 13.0867 10.7442 numMergedOcc 0
46 mol 274 unq 6 iso 0 dist 9.71801 9.02071 6.20558 7.15079 11.4471 9.78219 numMergedOcc 0
47 mol 292 unq 0 iso 0 dist 9.64124 6.68863 4.24885 5.72473 6.80049 6.32259 numMergedOcc 0
48 mol 292 unq 1 iso 0 dist 9.30668 6.68863 7.15683 5.72473 7.8414 6.32259 numMergedOcc 0
