0 mol 18 unq 0 iso 0 dist 8.44727 8.1133 9.86529 4.86477 9.46349 12.7664 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.6834 8.48944 13.4516 4.30555 7.7447 10.3921 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.6834 9.04448 10.7501 4.30555 7.7447 13.302 numMergedOcc 0
3 mol 70 unq 0 iso 0 dist 8.63204 5.4014 4.97731 5.00416 7.99194 7.80313 numMergedOcc 0
4 mol 70 unq 1 iso 0 dist 9.19079 8.37742 4.97731 4.00828 7.99194 7.80313 numMergedOcc 0
5 mol 70 unq 2 iso 0 dist 5.4014 8.63204 4.97731 5.00416 7.80313 7.99194 numMergedOcc 0
6 mol 70 unq 3 iso 0 dist 8.37742 9.19079 4.97731 4.00828 7.80313 7.99194 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 7.49235 7.19431 5.21654 7.76629 6.67678 10.4903 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 7.49235 7.19431 5.21654 8.52218 7.24956 11.5899 numMergedOcc 0
9 mol 93 unq 2 iso 0 dist 7.49235 7.19431 5.21654 3.83191 8.28591 5.35008 numMergedOcc 0
10 mol 93 unq 3 iso 0 dist 7.49235 7.19431 5.21654 3.77555 9.40687 8.84576 numMergedOcc 0
11 mol 93 unq 4 iso 0 dist 7.19431 7.49235 5.21654 3.83191 5.35008 8.28591 numMergedOcc 0
12 mol 93 unq 5 iso 0 dist 7.19431 7.49235 5.21654 3.77555 8.84576 9.40687 numMergedOcc 0
13 mol 95 unq 0 iso 0 dist 8.57607 7.84956 10.3056 6.56529 4.3439 11.5632 numMergedOcc 0
14 mol 95 unq 1 iso 0 dist 8.57607 6.1991 6.27231 6.56529 4.3439 6.05855 numMergedOcc 0
15 mol 95 unq 2 iso 0 dist 8.57607 5.96246 11.734 6.56529 4.3439 11.1729 numMergedOcc 0
16 mol 95 unq 3 iso 0 dist 6.1991 7.84956 9.77913 6.56529 6.05855 11.5632 numMergedOcc 0
17 mol 95 unq 4 iso 0 dist 6.1991 8.57607 6.27231 6.56529 6.05855 4.3439 numMergedOcc 0
18 mol 95 unq 5 iso 0 dist 6.1991 5.96246 6.95874 6.56529 6.05855 11.1729 numMergedOcc 0
19 mol 152 unq 0 iso 0 dist 9.4275 9.83462 3.55572 14.7423 8.60651 11.544 numMergedOcc 0
20 mol 184 unq 0 iso 0 dist 8.09403 8.33147 5.33725 9.24858 5.23187 9.72476 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 9.00537 6.04336 7.15345 16.5552 9.17458 15.6489 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 9.00537 6.04336 7.15345 14.3824 7.36794 13.1077 numMergedOcc 0
23 mol 186 unq 2 iso 0 dist 8.95209 9.16579 9.58899 4.59453 9.4366 13.1584 numMergedOcc 0
24 mol 204 unq 0 iso 0 dist 6.51936 7.59666 6.1208 10.816 7.33774 12.5711 numMergedOcc 0
25 mol 204 unq 1 iso 0 dist 6.51936 7.59666 6.1208 4.27546 6.39122 10.3857 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 6.32553 9.71147 8.01847 3.30102 4.97301 11.0548 numMergedOcc 0
27 mol 213 unq 0 iso 0 dist 8.04327 8.38045 5.04116 4.88386 9.02881 10.9451 numMergedOcc 0
28 mol 217 unq 0 iso 0 dist 8.28155 9.41353 6.12994 5.14513 6.19602 10.4373 numMergedOcc 0
29 mol 222 unq 0 iso 0 dist 8.63804 8.61619 3.58181 11.3307 8.88902 9.83916 numMergedOcc 0
30 mol 233 unq 0 iso 0 dist 6.0751 9.00218 5.11832 5.31235 8.4338 12.859 numMergedOcc 0
31 mol 260 unq 0 iso 0 dist 6.19564 6.79386 3.64495 9.96926 7.49606 10.8041 numMergedOcc 0
