0 mol 58 unq 0 iso 0 dist 8.52969 5.99959 6.75888 6.10173 7.21955 8.71468 numMergedOcc 0
1 mol 141 unq 0 iso 0 dist 9.75558 9.82638 12.6352 9.62363 9.97343 17.6863 numMergedOcc 0
2 mol 143 unq 0 iso 0 dist 8.72463 4.86894 5.44503 16.1752 7.78652 13.204 numMergedOcc 0
3 mol 143 unq 1 iso 0 dist 8.72463 4.86894 5.44503 17.1567 8.91301 13.8861 numMergedOcc 0
4 mol 148 unq 0 iso 0 dist 9.7168 9.69869 11.6053 6.57631 9.99156 12.57 numMergedOcc 0
5 mol 148 unq 1 iso 0 dist 9.7168 9.69869 11.6053 8.40891 8.18085 14.8547 numMergedOcc 0
6 mol 148 unq 2 iso 0 dist 9.7168 4.7785 6.84291 6.57631 9.99156 8.73468 numMergedOcc 0
7 mol 148 unq 3 iso 0 dist 9.7168 4.7785 6.84291 8.40891 8.18085 9.73927 numMergedOcc 0
8 mol 150 unq 0 iso 0 dist 9.61132 9.67177 11.5258 6.56068 9.8656 12.4713 numMergedOcc 0
9 mol 150 unq 1 iso 0 dist 9.61132 9.67177 11.5258 8.32178 7.94889 14.727 numMergedOcc 0
10 mol 150 unq 2 iso 0 dist 9.61132 4.79493 6.79619 6.56068 9.8656 8.73558 numMergedOcc 0
11 mol 150 unq 3 iso 0 dist 9.61132 4.79493 6.79619 8.32178 7.94889 9.66129 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 7.39961 9.89595 9.30783 5.95655 6.30021 13.7525 numMergedOcc 0
13 mol 156 unq 1 iso 0 dist 7.80643 9.89595 7.29758 11.7605 9.44367 5.81122 numMergedOcc 0
14 mol 156 unq 2 iso 0 dist 7.80643 9.89595 7.29758 5.95655 9.47433 13.7525 numMergedOcc 0
15 mol 192 unq 0 iso 0 dist 9.05666 8.15486 5.71262 5.76622 8.77999 7.33225 numMergedOcc 0
16 mol 198 unq 0 iso 0 dist 9.4363 7.48163 10.8191 10.4394 6.34616 15.2254 numMergedOcc 0
17 mol 218 unq 0 iso 0 dist 5.52981 8.39955 4.54272 5.3192 6.1951 10.506 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 7.2527 5.3853 5.11565 10.0472 7.57812 8.90076 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 7.2527 5.3853 5.11565 10.0651 8.69104 6.62002 numMergedOcc 0
20 mol 238 unq 2 iso 0 dist 7.13194 5.3853 11.0401 10.0472 9.24557 8.90076 numMergedOcc 0
