0 mol 16 unq 0 iso 0 dist 6.36377 5.96976 6.93532 9.30877 5.01101 5.94982 9.18144 8.82587 5.11248 6.21616 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.11056 4.04757 8.44664 8.94703 4.79736 9.98592 8.95357 8.20058 11.9824 8.45916 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.88413 10.7087 7.55264 13.4236 5.68041 6.53269 5.30126 6.22122 6.63966 9.95169 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 5.9747 7.43001 6.65501 14.2657 10.4782 8.46823 18.6227 15.44 14.016 6.74197 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 4.50572 9.5305 6.65501 14.7607 10.4782 8.46823 19.1848 15.44 14.016 6.74197 numMergedOcc 0
5 mol 129 unq 0 iso 0 dist 6.38163 4.92611 7.58957 6.53559 6.28232 6.34626 8.56696 6.23966 5.85167 8.46972 numMergedOcc 0
6 mol 155 unq 0 iso 0 dist 4.44292 5.45915 6.53347 7.25009 7.10286 9.24038 11.1511 13.3396 11.0203 8.14405 numMergedOcc 0
7 mol 171 unq 0 iso 0 dist 6.07091 4.98945 9.61462 6.51523 7.5383 7.47964 12.1824 14.7738 9.21862 8.09699 numMergedOcc 0
8 mol 212 unq 0 iso 0 dist 5.87223 6.48939 8.69988 5.03184 3.9436 9.10288 9.60101 10.0663 15.9513 8.43638 numMergedOcc 0
9 mol 212 unq 1 iso 0 dist 5.87223 6.48939 8.69988 5.03184 3.9436 9.10288 9.48834 10.8077 11.9681 7.06117 numMergedOcc 0
10 mol 212 unq 2 iso 0 dist 5.87223 5.81626 8.55903 5.03184 3.9436 6.19798 9.60101 10.0663 13.0497 8.43638 numMergedOcc 0
11 mol 212 unq 3 iso 0 dist 5.87223 5.81626 8.55903 5.03184 3.9436 6.19798 9.48834 10.8077 5.90313 7.06117 numMergedOcc 0
12 mol 212 unq 4 iso 0 dist 8.062 10.4595 8.69988 11.3822 3.9436 9.10288 14.4351 10.0663 15.9513 8.43638 numMergedOcc 0
13 mol 212 unq 5 iso 0 dist 8.062 10.4595 8.69988 11.3822 3.9436 9.10288 17.9859 10.8077 11.9681 7.06117 numMergedOcc 0
14 mol 212 unq 6 iso 0 dist 8.062 14.0193 8.55903 11.3822 3.9436 6.19798 14.4351 10.0663 13.0497 8.43638 numMergedOcc 0
15 mol 212 unq 7 iso 0 dist 8.062 14.0193 8.55903 11.3822 3.9436 6.19798 17.9859 10.8077 5.90313 7.06117 numMergedOcc 0
16 mol 212 unq 8 iso 0 dist 8.70011 8.87823 8.69988 9.54676 3.9436 9.10288 11.1018 10.0663 15.9513 8.43638 numMergedOcc 0
17 mol 212 unq 9 iso 0 dist 8.70011 8.87823 8.69988 9.54676 3.9436 9.10288 14.5936 10.8077 11.9681 7.06117 numMergedOcc 0
18 mol 212 unq 10 iso 0 dist 8.70011 10.7245 8.55903 9.54676 3.9436 6.19798 11.1018 10.0663 13.0497 8.43638 numMergedOcc 0
19 mol 212 unq 11 iso 0 dist 8.70011 10.7245 8.55903 9.54676 3.9436 6.19798 14.5936 10.8077 5.90313 7.06117 numMergedOcc 0
20 mol 222 unq 0 iso 0 dist 9.55777 12.979 7.67576 15.2698 6.84862 8.43195 14.056 5.47561 10.3328 8.51427 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 6.55855 6.70266 9.45514 8.97249 12.393 7.77765 11.2815 16.3037 7.42475 9.40401 numMergedOcc 0
22 mol 274 unq 1 iso 0 dist 6.55855 6.70266 9.45514 8.97249 12.393 7.77765 9.82234 12.6563 4.48276 5.64169 numMergedOcc 0
23 mol 274 unq 2 iso 0 dist 9.52894 6.70266 7.1729 8.97249 10.2884 7.77765 11.2815 14.27 7.42475 9.40401 numMergedOcc 0
24 mol 274 unq 3 iso 0 dist 9.52894 6.70266 7.1729 8.97249 10.2884 7.77765 9.82234 8.71129 4.48276 5.64169 numMergedOcc 0
