0 mol 7 unq 0 iso 0 dist 9.04663 6.70503 8.80762 6.64176 10.0658 5.99972 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 6.48339 5.44752 8.64015 9.68764 5.9995 8.08618 numMergedOcc 0
2 mol 65 unq 0 iso 0 dist 9.62658 10.3234 5.69971 14.6308 6.00418 7.90294 numMergedOcc 0
3 mol 65 unq 1 iso 0 dist 9.62658 10.8229 8.37515 14.1815 7.18126 6.76508 numMergedOcc 0
4 mol 65 unq 2 iso 0 dist 9.62658 10.8229 8.37515 14.6308 6.00418 8.22785 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 9.71837 7.33832 6.61823 14.1193 14.4996 8.91313 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 9.71837 7.33832 6.61823 14.3814 6.90324 8.16392 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 6.98059 9.83687 5.88354 11.7234 8.53212 5.59328 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 6.98059 12.0258 5.74854 11.7234 8.53212 7.5242 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 5.63127 10.6448 5.88354 10.7041 8.53212 5.59328 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 5.63127 5.58126 5.74854 10.7041 8.53212 7.5242 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 8.38498 6.77381 6.98934 10.4792 8.28905 8.99399 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 9.69341 7.79117 7.99623 9.04937 4.99495 8.99399 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 4.92106 4.26332 6.76699 9.196 9.34112 6.16242 numMergedOcc 0
14 mol 162 unq 0 iso 0 dist 8.47144 6.66205 8.00506 9.06613 4.56165 6.45896 numMergedOcc 0
15 mol 170 unq 0 iso 0 dist 5.42919 9.62818 8.15099 10.3765 7.29587 6.35982 numMergedOcc 0
16 mol 170 unq 1 iso 0 dist 5.42919 9.62818 8.15099 13.3758 8.73585 7.51126 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 9.12102 6.15341 7.20574 8.28099 11.8992 8.73217 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 8.26119 5.69334 6.26839 7.27978 5.92931 8.65535 numMergedOcc 0
19 mol 194 unq 1 iso 0 dist 8.26119 16.2258 8.83356 16.4057 12.361 8.29382 numMergedOcc 0
20 mol 194 unq 2 iso 0 dist 8.26119 16.2258 8.83356 11.7399 7.50057 6.72379 numMergedOcc 0
21 mol 194 unq 3 iso 0 dist 9.10338 13.5654 6.26839 9.33397 5.92931 8.65535 numMergedOcc 0
22 mol 194 unq 4 iso 0 dist 9.10338 11.1617 8.83356 18.3967 12.361 8.29382 numMergedOcc 0
23 mol 194 unq 5 iso 0 dist 9.10338 11.1617 8.83356 13.1523 7.50057 6.72379 numMergedOcc 0
24 mol 204 unq 0 iso 0 dist 7.00964 9.70811 6.85441 9.85418 5.42649 9.68728 numMergedOcc 0
25 mol 204 unq 1 iso 0 dist 9.08318 4.65392 6.85441 11.7293 5.42649 9.68728 numMergedOcc 0
26 mol 212 unq 0 iso 0 dist 8.18732 6.68718 6.29767 15.5712 9.75095 9.74144 numMergedOcc 0
27 mol 212 unq 1 iso 0 dist 8.18732 6.68718 6.29767 13.9032 12.8059 8.69988 numMergedOcc 0
28 mol 212 unq 2 iso 0 dist 8.18732 6.68718 6.29767 11.0824 10.7914 8.55903 numMergedOcc 0
29 mol 212 unq 3 iso 0 dist 8.18732 6.68718 6.29767 13.7803 9.63281 7.15603 numMergedOcc 0
30 mol 212 unq 4 iso 0 dist 5.90507 5.19318 8.74585 14.4434 15.1535 9.74144 numMergedOcc 0
31 mol 212 unq 5 iso 0 dist 5.90507 5.19318 8.74585 7.89739 4.21442 8.69988 numMergedOcc 0
32 mol 212 unq 6 iso 0 dist 5.90507 5.19318 8.74585 6.12161 6.69225 8.55903 numMergedOcc 0
33 mol 212 unq 7 iso 0 dist 5.90507 5.19318 8.74585 10.6123 10.1399 7.15603 numMergedOcc 0
34 mol 234 unq 0 iso 0 dist 8.23512 9.15708 8.24186 16.4345 9.68666 9.81425 numMergedOcc 0
35 mol 258 unq 0 iso 0 dist 6.51617 6.30874 8.15467 9.43704 6.05037 7.6595 numMergedOcc 0
36 mol 258 unq 1 iso 0 dist 6.51617 6.88723 9.1925 7.41653 4.22544 9.63959 numMergedOcc 0
