0 mol 18 unq 0 iso 0 dist 6.41856 8.35401 3.96312 10.3745 10.4086 7.60512 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 8.51213 8.35401 13.06 10.3745 15.3722 7.60512 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 9.14371 7.89835 4.95725 4.14436 6.09764 7.14069 numMergedOcc 0
3 mol 20 unq 1 iso 0 dist 9.14371 9.94205 5.84217 4.14436 6.09764 8.58641 numMergedOcc 0
4 mol 20 unq 2 iso 0 dist 9.14371 9.08453 4.18921 4.14436 6.09764 5.99466 numMergedOcc 0
5 mol 20 unq 3 iso 0 dist 9.14371 9.08453 4.18921 9.3714 9.20198 9.07213 numMergedOcc 0
6 mol 21 unq 0 iso 0 dist 7.88429 6.29808 7.08873 4.09637 10.4933 5.63735 numMergedOcc 0
7 mol 21 unq 1 iso 0 dist 7.88429 7.46409 10.6154 4.09637 10.4933 6.28263 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 6.80849 6.74914 4.79736 6.3045 8.44664 9.98592 numMergedOcc 0
9 mol 34 unq 0 iso 0 dist 8.16494 5.51172 4.55481 4.4218 10.7798 6.88052 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 9.32453 8.25047 6.77898 12.1829 14.1196 8.77077 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 7.79726 8.52697 5.09159 12.6241 14.2829 9.77084 numMergedOcc 0
12 mol 91 unq 0 iso 0 dist 8.00525 6.64714 12.6799 5.75219 9.30539 8.77355 numMergedOcc 0
13 mol 93 unq 0 iso 0 dist 9.10877 9.43355 10.8106 17.826 19.7304 9.19977 numMergedOcc 0
14 mol 93 unq 1 iso 0 dist 9.10877 9.43355 10.8106 16.0131 17.211 7.28831 numMergedOcc 0
15 mol 93 unq 2 iso 0 dist 9.10877 9.43355 10.8106 11.7408 17.9577 9.71411 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 4.31067 5.44426 3.9764 14.3798 11.3043 9.84703 numMergedOcc 0
17 mol 98 unq 1 iso 0 dist 4.31067 5.44426 3.9764 9.0917 6.65501 4.62494 numMergedOcc 0
18 mol 112 unq 0 iso 0 dist 6.5258 5.80831 9.05551 6.84726 13.001 7.67238 numMergedOcc 0
19 mol 129 unq 0 iso 0 dist 7.00798 8.62413 12.1739 6.02377 12.0256 6.34626 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 8.94909 7.33743 15.0115 8.11294 10.9061 8.83732 numMergedOcc 0
21 mol 158 unq 0 iso 0 dist 9.03632 6.68721 13.7172 6.83901 14.6377 9.97968 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 9.50454 9.19831 4.61184 6.15536 5.9176 8.59681 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 7.15963 9.19831 9.83826 6.15536 11.602 8.59681 numMergedOcc 0
24 mol 196 unq 0 iso 0 dist 4.97115 4.48862 4.53084 10.0025 12.1861 8.48879 numMergedOcc 0
25 mol 196 unq 1 iso 0 dist 9.45804 4.48862 11.522 10.0025 18.3001 8.48879 numMergedOcc 0
26 mol 196 unq 2 iso 0 dist 9.8486 4.48862 13.0429 10.0025 16.541 8.48879 numMergedOcc 0
27 mol 196 unq 3 iso 0 dist 7.23126 4.48862 11.5807 10.0025 14.7256 8.48879 numMergedOcc 0
28 mol 212 unq 0 iso 0 dist 8.13678 5.10392 3.9436 10.0809 8.69988 9.10288 numMergedOcc 0
29 mol 212 unq 1 iso 0 dist 8.13678 5.10392 3.9436 6.27773 8.55903 6.19798 numMergedOcc 0
30 mol 212 unq 2 iso 0 dist 8.13678 5.10392 3.9436 4.3827 10.6618 7.24895 numMergedOcc 0
31 mol 222 unq 0 iso 0 dist 7.40081 8.79662 10.0028 10.4451 15.9015 8.23406 numMergedOcc 0
