0 mol 26 unq 0 iso 0 dist 9.7522 8.99751 10.797 9.44507 10.9837 4.36675 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 9.7522 9.44507 10.9837 8.99751 10.797 4.36675 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 8.1599 8.67162 10.0059 8.79114 10.4611 4.0144 numMergedOcc 0
3 mol 62 unq 0 iso 1 dist 8.1599 8.79114 10.4611 8.67162 10.0059 4.0144 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 8.4545 5.62309 8.70803 7.11438 9.52327 6.2185 numMergedOcc 0
5 mol 92 unq 0 iso 1 dist 8.4545 7.11438 9.52327 5.62309 8.70803 6.2185 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 7.01176 5.62309 8.87994 7.11438 11.641 6.2185 numMergedOcc 0
7 mol 92 unq 1 iso 1 dist 7.01176 7.11438 11.641 5.62309 8.87994 6.2185 numMergedOcc 0
8 mol 154 unq 0 iso 0 dist 6.23399 5.60184 7.51976 8.86862 5.02794 7.39076 numMergedOcc 0
9 mol 154 unq 0 iso 1 dist 6.23399 8.86862 5.02794 5.60184 7.51976 7.39076 numMergedOcc 0
10 mol 154 unq 1 iso 0 dist 6.23399 5.60184 7.51976 7.08477 7.23684 6.92308 numMergedOcc 0
11 mol 154 unq 1 iso 1 dist 6.23399 7.08477 7.23684 5.60184 7.51976 6.92308 numMergedOcc 0
12 mol 154 unq 1 iso 0 dist 6.23399 8.86862 5.02794 7.08477 7.23684 5.273 numMergedOcc 0
13 mol 154 unq 1 iso 1 dist 6.23399 7.08477 7.23684 8.86862 5.02794 5.273 numMergedOcc 0
14 mol 157 unq 0 iso 0 dist 6.1835 9.30128 8.0238 9.04487 6.41986 7.44437 numMergedOcc 0
15 mol 157 unq 0 iso 1 dist 6.1835 9.04487 6.41986 9.30128 8.0238 7.44437 numMergedOcc 0
16 mol 169 unq 0 iso 0 dist 9.46833 7.91434 4.62636 7.79437 5.81985 5.63521 numMergedOcc 0
17 mol 169 unq 0 iso 1 dist 9.46833 7.79437 5.81985 7.91434 4.62636 5.63521 numMergedOcc 0
18 mol 222 unq 0 iso 0 dist 7.85877 5.89818 7.75656 9.32543 16.0949 11.3283 numMergedOcc 0
19 mol 222 unq 0 iso 1 dist 7.85877 9.32543 16.0949 5.89818 7.75656 11.3283 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 7.70279 9.41148 6.2188 7.83422 12.3508 16.4381 numMergedOcc 0
21 mol 232 unq 0 iso 1 dist 7.70279 7.83422 12.3508 9.41148 6.2188 16.4381 numMergedOcc 0
22 mol 232 unq 1 iso 0 dist 9.29752 9.41148 12.5452 7.83422 8.80479 16.4381 numMergedOcc 0
23 mol 232 unq 1 iso 1 dist 9.29752 7.83422 8.80479 9.41148 12.5452 16.4381 numMergedOcc 0
24 mol 236 unq 0 iso 0 dist 6.11137 8.37813 9.52712 9.25988 4.79879 13.2781 numMergedOcc 0
25 mol 236 unq 0 iso 1 dist 6.11137 9.25988 4.79879 8.37813 9.52712 13.2781 numMergedOcc 0
26 mol 236 unq 1 iso 0 dist 7.89744 8.37813 14.1812 9.25988 4.32284 13.2781 numMergedOcc 0
27 mol 236 unq 1 iso 1 dist 7.89744 9.25988 4.32284 8.37813 14.1812 13.2781 numMergedOcc 0
28 mol 270 unq 0 iso 0 dist 7.82003 8.55914 5.43023 8.41507 9.86495 6.77242 numMergedOcc 0
29 mol 270 unq 0 iso 1 dist 7.82003 8.41507 9.86495 8.55914 5.43023 6.77242 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 6.55855 9.11072 6.16703 6.83113 5.64601 11.6106 numMergedOcc 0
31 mol 274 unq 0 iso 1 dist 6.55855 6.83113 5.64601 9.11072 6.16703 11.6106 numMergedOcc 0
32 mol 274 unq 1 iso 0 dist 6.55855 9.11072 6.16703 9.44134 6.52035 10.3492 numMergedOcc 0
33 mol 274 unq 1 iso 1 dist 6.55855 9.44134 6.52035 9.11072 6.16703 10.3492 numMergedOcc 0
34 mol 274 unq 1 iso 0 dist 6.55855 6.83113 5.64601 9.44134 6.52035 7.0237 numMergedOcc 0
35 mol 274 unq 1 iso 1 dist 6.55855 9.44134 6.52035 6.83113 5.64601 7.0237 numMergedOcc 0
36 mol 274 unq 2 iso 0 dist 9.52894 9.11072 6.40141 6.83113 10.5941 11.6106 numMergedOcc 0
37 mol 274 unq 2 iso 1 dist 9.52894 6.83113 10.5941 9.11072 6.40141 11.6106 numMergedOcc 0
38 mol 274 unq 3 iso 0 dist 9.52894 9.11072 6.40141 9.44134 5.71192 10.3492 numMergedOcc 0
39 mol 274 unq 3 iso 1 dist 9.52894 9.44134 5.71192 9.11072 6.40141 10.3492 numMergedOcc 0
40 mol 274 unq 3 iso 0 dist 9.52894 6.83113 10.5941 9.44134 5.71192 7.0237 numMergedOcc 0
41 mol 274 unq 3 iso 1 dist 9.52894 9.44134 5.71192 6.83113 10.5941 7.0237 numMergedOcc 0
