0 mol 17 unq 0 iso 0 dist 7.77517 7.38683 6.75648 6.3635 6.5811 5.4562 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 7.77517 8.15728 13.06 6.3635 6.5811 9.05134 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 7.82972 8.73406 6.31576 5.45793 6.29619 5.94047 numMergedOcc 0
3 mol 45 unq 1 iso 0 dist 7.82972 8.73406 6.31576 5.00516 9.46825 12.474 numMergedOcc 0
4 mol 45 unq 2 iso 0 dist 7.82972 9.97144 14.339 5.45793 6.29619 15.1993 numMergedOcc 0
5 mol 45 unq 3 iso 0 dist 7.82972 9.97144 14.339 5.00516 9.46825 5.73902 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 6.90344 8.94828 10.1653 8.17377 8.20449 15.4505 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 6.45418 8.94828 11.6509 8.17377 9.66689 15.4505 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 8.02605 8.94828 8.27328 8.17377 14.068 15.4505 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 6.2216 5.98941 11.5287 4.65861 7.26753 7.59218 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 7.11949 8.02478 12.0313 5.87837 6.38138 5.92812 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 9.05516 8.02478 14.2716 5.87837 12.8497 5.92812 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 5.56363 8.02478 12.0058 5.87837 8.76845 5.92812 numMergedOcc 0
13 mol 144 unq 0 iso 0 dist 7.08779 9.26077 13.0676 9.12598 5.56979 11.4342 numMergedOcc 0
14 mol 234 unq 0 iso 0 dist 7.95802 9.50869 9.38219 6.39407 5.52595 6.41333 numMergedOcc 0
15 mol 250 unq 0 iso 0 dist 8.07428 8.16442 13.1312 9.13429 15.6395 6.11942 numMergedOcc 0
16 mol 267 unq 0 iso 0 dist 9.1753 8.21258 7.11419 5.33065 6.74922 9.7551 numMergedOcc 0
17 mol 267 unq 1 iso 0 dist 9.1753 9.04247 7.80033 5.33065 6.74922 5.51217 numMergedOcc 0
18 mol 274 unq 0 iso 0 dist 7.55296 9.39854 6.48193 8.63331 6.23174 6.0625 numMergedOcc 0
19 mol 274 unq 1 iso 0 dist 7.55296 9.39854 6.48193 7.21525 10.9037 8.22298 numMergedOcc 0
20 mol 274 unq 2 iso 0 dist 7.55296 7.53577 7.18301 8.63331 6.23174 10.9739 numMergedOcc 0
21 mol 274 unq 3 iso 0 dist 7.55296 7.53577 7.18301 7.21525 10.9037 10.8282 numMergedOcc 0
22 mol 287 unq 0 iso 0 dist 8.45131 8.1644 15.4698 7.74678 6.7501 11.1918 numMergedOcc 0
23 mol 287 unq 1 iso 0 dist 8.45131 9.31742 13.9278 7.74678 6.7501 11.4665 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 8.45131 8.1644 15.4698 7.74678 6.7501 11.1918 numMergedOcc 0
25 mol 288 unq 1 iso 0 dist 8.45131 9.31742 13.9278 7.74678 6.7501 11.4665 numMergedOcc 0
26 mol 289 unq 0 iso 0 dist 8.45131 8.1644 15.4698 7.74678 6.7501 11.1918 numMergedOcc 0
27 mol 289 unq 1 iso 0 dist 8.45131 9.31742 13.9278 7.74678 6.7501 11.4665 numMergedOcc 0
