0 mol 44 unq 0 iso 0 dist 8.72535 12.7874 7.85573 10.4533 6.10468 6.21423 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 9.27499 12.4095 9.67403 16.2916 15.8202 7.28917 numMergedOcc 0
2 mol 61 unq 1 iso 0 dist 9.68759 5.5552 6.60294 10.7951 4.78291 7.02173 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 7.50417 10.7267 6.77808 11.1617 3.93133 6.02034 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 8.29369 13.023 6.02034 9.93708 3.93133 6.77808 numMergedOcc 0
5 mol 78 unq 2 iso 0 dist 6.75455 10.7809 6.02034 6.28063 3.93133 6.77808 numMergedOcc 0
6 mol 78 unq 3 iso 0 dist 6.28063 10.7809 6.77808 6.75455 3.93133 6.02034 numMergedOcc 0
7 mol 83 unq 0 iso 0 dist 9.56049 4.21416 8.95808 12.4513 10.3407 8.48766 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.79055 5.73112 6.78043 9.28919 4.13723 5.74364 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 9.28919 5.73112 5.74364 9.79055 4.13723 6.78043 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 8.75007 16.1672 9.63488 18.5903 11.1037 9.31907 numMergedOcc 0
11 mol 204 unq 0 iso 0 dist 8.26132 9.43994 7.19213 9.11605 3.78668 5.67196 numMergedOcc 0
12 mol 204 unq 1 iso 0 dist 7.95977 8.91299 5.67196 11.6468 3.78668 7.19213 numMergedOcc 0
13 mol 204 unq 2 iso 0 dist 8.82838 6.42715 7.19213 8.17025 3.78668 5.67196 numMergedOcc 0
14 mol 204 unq 3 iso 0 dist 8.17025 6.42715 5.67196 8.82838 3.78668 7.19213 numMergedOcc 0
15 mol 287 unq 0 iso 0 dist 9.70244 10.9593 8.34389 13.044 3.73926 8.25083 numMergedOcc 0
16 mol 288 unq 0 iso 0 dist 9.70244 10.9593 8.34389 13.044 3.73926 8.25083 numMergedOcc 0
17 mol 289 unq 0 iso 0 dist 9.70244 10.9593 8.34389 13.044 3.73926 8.25083 numMergedOcc 0
