0 mol 28 unq 0 iso 0 dist 7.82759 12.7911 8.53424 10.1889 3.70336 7.08766 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 7.82759 12.7911 8.53424 11.8366 5.1533 4.82199 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 7.23371 6.75911 3.77542 13.3975 9.4824 9.97314 numMergedOcc 0
3 mol 63 unq 0 iso 0 dist 9.18651 7.17611 9.13228 15.1517 13.0286 8.14512 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 6.50622 6.75646 8.42738 4.45433 3.46822 8.79979 numMergedOcc 0
5 mol 78 unq 1 iso 0 dist 4.45433 5.80317 8.61143 9.64265 8.09729 9.07629 numMergedOcc 0
6 mol 78 unq 2 iso 0 dist 4.45433 6.75646 8.79979 6.50622 3.46822 8.42738 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 7.60619 8.05938 4.808 13.6253 7.13643 6.20144 numMergedOcc 0
8 mol 111 unq 0 iso 0 dist 8.69371 9.05868 4.91212 14.379 6.13173 9.74162 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 9.22398 8.51521 5.86379 12.5065 3.66281 8.64686 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 9.22398 11.3635 6.21029 12.5065 3.66281 8.16325 numMergedOcc 0
11 mol 123 unq 0 iso 0 dist 8.0933 9.39224 8.03692 14.247 8.77423 8.78115 numMergedOcc 0
12 mol 147 unq 0 iso 0 dist 8.92048 6.68581 3.82583 11.373 4.68125 8.25768 numMergedOcc 0
13 mol 147 unq 1 iso 0 dist 8.92048 4.60169 5.19116 11.373 4.68125 8.71702 numMergedOcc 0
14 mol 147 unq 2 iso 0 dist 8.84926 13.164 8.25768 11.3211 4.68125 3.82583 numMergedOcc 0
15 mol 147 unq 3 iso 0 dist 8.84926 11.3679 8.71702 11.3211 4.68125 5.19116 numMergedOcc 0
16 mol 194 unq 0 iso 0 dist 7.26295 3.64489 5.10542 7.31316 3.78714 4.68722 numMergedOcc 0
17 mol 194 unq 1 iso 0 dist 7.31316 3.64489 4.68722 7.26295 3.78714 5.10542 numMergedOcc 0
18 mol 194 unq 2 iso 0 dist 8.9865 13.481 4.68722 11.6638 3.78714 5.10542 numMergedOcc 0
19 mol 260 unq 0 iso 0 dist 4.20369 5.76999 7.04263 10.4508 8.76827 6.48099 numMergedOcc 0
