0 mol 26 unq 0 iso 0 dist 9.15677 9.53735 10.797 14.8485 7.34549 16.5419 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.15677 9.53735 10.797 16.9454 8.09068 16.8621 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 9.15677 9.53735 10.797 17.4951 9.72289 19.6564 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 9.61029 9.34599 10.797 11.9913 7.34549 16.5419 numMergedOcc 0
4 mol 26 unq 4 iso 0 dist 9.61029 9.34599 10.797 11.6671 8.09068 16.8621 numMergedOcc 0
5 mol 26 unq 5 iso 0 dist 9.61029 9.34599 10.797 15.9266 9.72289 19.6564 numMergedOcc 0
6 mol 26 unq 6 iso 0 dist 9.61029 6.32127 10.9837 11.9913 7.34549 16.1491 numMergedOcc 0
7 mol 26 unq 7 iso 0 dist 9.61029 6.32127 10.9837 11.6671 8.09068 15.0704 numMergedOcc 0
8 mol 26 unq 8 iso 0 dist 9.61029 6.32127 10.9837 15.9266 9.72289 18.612 numMergedOcc 0
9 mol 54 unq 0 iso 0 dist 7.51978 5.0478 4.29856 6.11985 6.13476 6.54052 numMergedOcc 0
10 mol 63 unq 0 iso 0 dist 9.84668 7.35929 7.78153 11.8129 6.65465 13.0659 numMergedOcc 0
11 mol 65 unq 0 iso 0 dist 9.9997 9.68286 5.51708 6.65154 9.75927 6.99979 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 8.28737 6.25276 4.3931 6.77871 7.63534 8.23534 numMergedOcc 0
13 mol 91 unq 0 iso 0 dist 7.47827 7.74952 4.57085 7.15993 8.00525 4.86532 numMergedOcc 0
14 mol 123 unq 0 iso 0 dist 9.26057 9.47346 9.02568 4.43198 9.99727 10.8541 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 6.96824 5.6688 6.29863 6.57868 9.50454 5.87853 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 6.96824 5.6688 6.29863 8.05561 8.80581 11.1087 numMergedOcc 0
17 mol 181 unq 2 iso 0 dist 9.25528 5.6688 5.6044 6.57868 7.15963 5.87853 numMergedOcc 0
18 mol 196 unq 0 iso 0 dist 6.60651 6.67699 8.50224 10.2953 7.84536 15.3944 numMergedOcc 0
19 mol 196 unq 1 iso 0 dist 6.60651 6.67699 8.50224 11.554 7.07723 15.0273 numMergedOcc 0
20 mol 196 unq 2 iso 0 dist 6.60651 6.67699 8.50224 6.29554 6.40064 9.42877 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 7.92766 6.21588 5.86489 10.7365 6.20646 10.6991 numMergedOcc 0
22 mol 204 unq 1 iso 0 dist 7.92766 6.21588 5.86489 14.1382 6.73266 9.639 numMergedOcc 0
23 mol 222 unq 0 iso 0 dist 8.92185 8.37652 6.37513 8.0584 9.88432 13.4445 numMergedOcc 0
24 mol 253 unq 0 iso 0 dist 5.76077 7.06589 5.78064 12.8509 9.86979 15.5271 numMergedOcc 0
25 mol 253 unq 1 iso 0 dist 7.0247 8.70383 5.78064 11.3218 9.86979 15.5271 numMergedOcc 0
26 mol 261 unq 0 iso 0 dist 7.26647 5.83338 7.86966 6.15322 6.85589 9.9247 numMergedOcc 0
27 mol 261 unq 1 iso 0 dist 7.7309 5.83338 6.65675 6.15322 6.68878 9.9247 numMergedOcc 0
28 mol 278 unq 0 iso 0 dist 9.58494 8.71212 7.66477 4.39811 9.65332 11.6865 numMergedOcc 0
29 mol 278 unq 1 iso 0 dist 9.58494 8.60481 9.96924 4.39811 9.65332 8.91606 numMergedOcc 0
30 mol 282 unq 0 iso 0 dist 7.70229 5.94224 8.2662 5.9433 7.34596 9.88071 numMergedOcc 0
31 mol 282 unq 1 iso 0 dist 7.90792 5.94224 6.6348 5.9433 7.12228 9.88071 numMergedOcc 0
