0 mol 54 unq 0 iso 0 dist 5.47819 4.78617 5.99879 6.13818 9.51017 9.96747 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 5.47819 4.78617 5.99879 4.32318 8.47212 4.23367 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 9.49371 6.4157 7.63813 3.98395 8.92491 5.19612 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 9.49371 6.4157 7.63813 14.6064 7.41861 9.45571 numMergedOcc 0
4 mol 76 unq 2 iso 0 dist 5.05941 7.10225 7.63813 10.3277 8.92491 5.19612 numMergedOcc 0
5 mol 76 unq 3 iso 0 dist 5.05941 7.10225 7.63813 9.02965 7.41861 9.45571 numMergedOcc 0
6 mol 76 unq 4 iso 0 dist 9.66942 5.96906 7.63813 10.7432 8.92491 5.19612 numMergedOcc 0
7 mol 76 unq 5 iso 0 dist 9.66942 5.96906 7.63813 10.6763 7.41861 9.45571 numMergedOcc 0
8 mol 83 unq 0 iso 0 dist 9.55654 11.8901 9.90769 8.00727 6.77845 10.6504 numMergedOcc 0
9 mol 83 unq 1 iso 0 dist 9.55654 11.8901 9.90769 6.0402 5.48555 6.65429 numMergedOcc 0
10 mol 83 unq 2 iso 0 dist 9.55654 11.8901 9.90769 12.2939 5.39805 9.4696 numMergedOcc 0
11 mol 130 unq 0 iso 0 dist 8.46957 10.4475 7.78572 9.73438 8.17814 3.84554 numMergedOcc 0
12 mol 130 unq 1 iso 0 dist 8.46957 10.4475 7.78572 10.7854 9.14434 7.90816 numMergedOcc 0
13 mol 132 unq 0 iso 0 dist 6.71787 4.5649 9.20977 4.10862 8.72039 6.32317 numMergedOcc 0
14 mol 171 unq 0 iso 0 dist 9.94668 8.10032 9.23587 12.5652 9.1056 6.21824 numMergedOcc 0
15 mol 192 unq 0 iso 0 dist 5.91901 7.79406 8.27545 14.58 9.78743 11.9796 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 8.32792 4.8681 5.77947 11.6087 8.12934 8.12353 numMergedOcc 0
17 mol 233 unq 0 iso 0 dist 6.25959 7.94379 7.91999 6.03685 7.21531 13.0673 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 7.90944 6.23034 6.77267 10.9366 4.53228 7.74816 numMergedOcc 0
19 mol 239 unq 1 iso 0 dist 7.90944 6.23034 6.77267 10.3819 8.54078 6.45423 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 9.90251 17.9031 9.87771 4.02862 9.16172 15.2458 numMergedOcc 0
