0 mol 13 unq 0 iso 0 dist 8.00865 15.907 7.98679 15.1492 8.70822 7.64861 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 9.11447 15.0129 7.98679 15.6702 8.70822 7.64861 numMergedOcc 0
2 mol 114 unq 0 iso 0 dist 8.06525 9.47219 9.35942 13.5268 11.064 5.32751 numMergedOcc 0
3 mol 131 unq 0 iso 0 dist 9.39683 10.8622 5.44303 18.9899 10.6067 9.66687 numMergedOcc 0
4 mol 131 unq 1 iso 0 dist 9.39683 10.8622 5.44303 18.0749 12.4872 9.68242 numMergedOcc 0
5 mol 147 unq 0 iso 0 dist 5.1101 10.7872 7.25644 10.4039 5.44624 6.75601 numMergedOcc 0
6 mol 147 unq 1 iso 0 dist 7.01133 7.66774 7.25644 10.1025 5.44624 6.75601 numMergedOcc 0
7 mol 151 unq 0 iso 0 dist 5.63814 8.3622 4.74531 9.57575 5.04333 7.80544 numMergedOcc 0
8 mol 151 unq 1 iso 0 dist 5.63814 8.3622 4.74531 10.4933 4.87853 5.59982 numMergedOcc 0
9 mol 163 unq 0 iso 0 dist 8.21476 15.4471 9.79069 11.7418 5.57459 9.54144 numMergedOcc 0
10 mol 163 unq 1 iso 0 dist 8.21476 9.33755 9.27496 11.7418 5.57459 7.49813 numMergedOcc 0
11 mol 163 unq 2 iso 0 dist 7.66897 9.54216 9.79069 9.90375 5.57459 9.54144 numMergedOcc 0
12 mol 163 unq 3 iso 0 dist 7.66897 10.7572 9.27496 9.90375 5.57459 7.49813 numMergedOcc 0
13 mol 182 unq 0 iso 0 dist 8.89822 12.8718 8.52103 12.8251 6.43932 9.48378 numMergedOcc 0
14 mol 210 unq 0 iso 0 dist 6.4829 5.96222 5.57779 11.1831 5.64437 8.37183 numMergedOcc 0
15 mol 210 unq 1 iso 0 dist 6.4829 12.5026 6.78579 11.1831 5.64437 6.6588 numMergedOcc 0
16 mol 277 unq 0 iso 0 dist 7.25677 6.56697 7.85414 10.2426 10.4785 9.04531 numMergedOcc 0
17 mol 282 unq 0 iso 0 dist 9.96468 9.09482 8.67489 10.2021 5.50344 9.87988 numMergedOcc 0
18 mol 282 unq 1 iso 0 dist 9.59817 6.21176 8.67489 8.0574 5.50344 9.87988 numMergedOcc 0
