0 mol 7 unq 0 iso 0 dist 9.96415 14.6751 9.67164 10.9229 5.5683 8.72114 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.96415 7.15287 5.99459 12.916 6.12483 5.99972 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.14598 9.20254 7.95042 13.4332 10.0453 9.41441 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 8.25594 15.6547 9.03564 17.8435 9.76482 7.16773 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.69222 6.97502 6.45841 9.87816 6.26495 6.02816 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 5.82056 6.97502 5.61588 9.87816 8.26195 6.02816 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 9.09115 6.97502 7.83244 9.87816 12.382 6.02816 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 8.23073 7.95165 8.27883 14.4656 15.7954 9.49454 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 9.71342 6.29782 5.58833 15.1742 9.30433 9.36851 numMergedOcc 0
9 mol 129 unq 1 iso 0 dist 9.71342 6.29782 5.58833 10.9456 4.28744 4.97175 numMergedOcc 0
10 mol 129 unq 2 iso 0 dist 8.57774 5.99695 5.58833 7.32407 9.30433 9.36851 numMergedOcc 0
11 mol 129 unq 3 iso 0 dist 8.57774 5.99695 5.58833 6.48695 4.28744 4.97175 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 9.70788 10.1013 7.36975 9.98349 12.207 7.78652 numMergedOcc 0
13 mol 143 unq 1 iso 0 dist 9.70788 10.1013 7.36975 13.9605 14.7271 8.91301 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 8.39573 12.5935 9.01624 17.0911 11.9796 5.94469 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 5.27578 9.09826 7.05695 8.5303 3.78314 7.76163 numMergedOcc 0
16 mol 186 unq 1 iso 0 dist 8.25953 6.51869 7.05695 11.0449 3.78314 7.76163 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 6.75579 4.25942 6.52816 5.63477 5.28417 6.03688 numMergedOcc 0
18 mol 223 unq 0 iso 0 dist 7.27963 10.6103 6.42257 16.0359 10.5752 7.48463 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 9.67281 11.2453 9.72188 16.8938 17.1065 9.24557 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 8.40328 6.18571 5.85442 10.9688 4.47425 7.08526 numMergedOcc 0
21 mol 259 unq 1 iso 0 dist 8.2518 11.0067 9.46361 10.9688 4.10176 7.98231 numMergedOcc 0
22 mol 259 unq 2 iso 0 dist 8.2518 6.18571 6.95511 10.9688 4.10176 7.08526 numMergedOcc 0
23 mol 292 unq 0 iso 0 dist 7.32002 10.9431 9.74118 11.0414 3.92782 9.88863 numMergedOcc 0
