0 mol 20 unq 0 iso 0 dist 8.93872 12.0473 9.84488 11.5241 3.99097 9.84521 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 6.68662 5.88339 9.52155 7.72334 3.71141 9.58751 numMergedOcc 0
2 mol 27 unq 1 iso 0 dist 9.11084 15.6378 9.52155 7.90154 3.71141 9.58751 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 7.01149 6.10172 6.89022 13.7173 9.43084 9.03391 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 9.12746 3.36265 6.28905 8.78188 4.30611 5.42296 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 7.10895 8.91067 9.33968 5.42653 3.96397 6.18681 numMergedOcc 0
6 mol 123 unq 0 iso 0 dist 9.43033 8.75597 5.38148 16.9489 11.9979 8.53618 numMergedOcc 0
7 mol 123 unq 1 iso 0 dist 8.57379 7.36026 6.63094 9.07528 3.6989 8.53618 numMergedOcc 0
8 mol 123 unq 2 iso 0 dist 5.87154 6.45068 8.24171 6.24626 5.14679 8.53618 numMergedOcc 0
9 mol 123 unq 3 iso 0 dist 6.82663 6.45068 6.63094 6.24626 3.6989 8.53618 numMergedOcc 0
10 mol 123 unq 4 iso 0 dist 9.93167 6.36283 5.38148 13.3869 11.9979 8.53618 numMergedOcc 0
11 mol 176 unq 0 iso 0 dist 8.8556 4.99447 5.58647 11.3932 8.51898 9.67312 numMergedOcc 0
12 mol 277 unq 0 iso 0 dist 9.32681 7.03845 6.12608 14.8296 12.0153 8.13595 numMergedOcc 0
13 mol 283 unq 0 iso 0 dist 5.34771 5.91899 9.74797 6.87568 9.22715 9.06774 numMergedOcc 0
14 mol 283 unq 1 iso 0 dist 5.34771 8.2722 9.90494 6.87568 9.22715 7.83424 numMergedOcc 0
15 mol 283 unq 2 iso 0 dist 9.2825 8.2722 5.90121 6.87568 5.16367 7.83424 numMergedOcc 0
16 mol 283 unq 3 iso 0 dist 9.40332 8.32685 9.74797 6.50648 9.22715 9.06774 numMergedOcc 0
17 mol 283 unq 4 iso 0 dist 9.40332 5.93642 9.90494 6.50648 9.22715 7.83424 numMergedOcc 0
18 mol 283 unq 5 iso 0 dist 5.8676 5.93642 5.90121 6.50648 5.16367 7.83424 numMergedOcc 0
19 mol 286 unq 0 iso 0 dist 6.57496 8.51361 6.87255 14.6424 10.5287 9.81574 numMergedOcc 0
20 mol 286 unq 1 iso 0 dist 7.9554 10.1725 6.87255 17.51 10.5287 9.81574 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 7.86603 10.0544 8.70479 10.0428 6.53691 9.53713 numMergedOcc 0
22 mol 287 unq 1 iso 0 dist 7.17626 6.23875 8.70479 7.59237 6.53691 9.53713 numMergedOcc 0
23 mol 288 unq 0 iso 0 dist 7.86603 10.0544 8.70479 10.0428 6.53691 9.53713 numMergedOcc 0
24 mol 288 unq 1 iso 0 dist 7.17626 6.23875 8.70479 7.59237 6.53691 9.53713 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 7.86603 10.0544 8.70479 10.0428 6.53691 9.53713 numMergedOcc 0
26 mol 289 unq 1 iso 0 dist 7.17626 6.23875 8.70479 7.59237 6.53691 9.53713 numMergedOcc 0
