0 mol 54 unq 0 iso 0 dist 7.32436 5.61075 9.87963 5.15508 6.81735 4.9947 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 6.65799 13.2892 9.56474 3.71699 7.89643 11.5819 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 6.30598 5.03358 8.52436 13.7485 9.43839 14.4719 numMergedOcc 0
3 mol 107 unq 0 iso 0 dist 8.94247 4.57302 8.89853 3.55414 9.1849 5.41707 numMergedOcc 0
4 mol 126 unq 0 iso 0 dist 9.40595 6.51437 9.93116 11.433 5.78493 9.465 numMergedOcc 0
5 mol 186 unq 0 iso 0 dist 9.35708 14.2497 5.27578 4.92125 8.99777 12.7357 numMergedOcc 0
6 mol 186 unq 1 iso 0 dist 8.40313 14.2497 8.25953 4.92125 7.32974 12.7357 numMergedOcc 0
7 mol 192 unq 0 iso 0 dist 6.6011 8.2928 5.08603 5.81179 5.5223 3.41605 numMergedOcc 0
8 mol 192 unq 1 iso 0 dist 6.6011 8.2928 5.08603 3.26277 8.00501 7.59825 numMergedOcc 0
9 mol 192 unq 2 iso 0 dist 6.6011 4.85767 9.30889 5.81179 5.5223 7.90804 numMergedOcc 0
10 mol 192 unq 3 iso 0 dist 6.6011 4.85767 9.30889 3.26277 8.00501 3.69054 numMergedOcc 0
11 mol 192 unq 4 iso 0 dist 8.82945 8.2928 5.77035 5.81179 5.03588 3.41605 numMergedOcc 0
12 mol 195 unq 0 iso 0 dist 8.3941 11.5968 7.75518 5.77195 9.16422 12.8209 numMergedOcc 0
13 mol 199 unq 0 iso 0 dist 7.22303 4.16599 9.57414 4.79169 9.6189 5.76702 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 6.58174 5.10199 5.81438 10.816 8.77524 5.80328 numMergedOcc 0
15 mol 214 unq 0 iso 0 dist 7.24175 10.996 8.44407 7.25055 9.46274 15.9748 numMergedOcc 0
16 mol 214 unq 1 iso 0 dist 7.24175 5.055 6.0155 7.25055 9.46274 10.9698 numMergedOcc 0
17 mol 214 unq 2 iso 0 dist 7.24175 10.6488 8.89981 7.25055 9.46274 5.22858 numMergedOcc 0
18 mol 225 unq 0 iso 0 dist 8.33143 5.30128 8.94981 16.0567 7.78392 16.3069 numMergedOcc 0
19 mol 225 unq 1 iso 0 dist 8.33143 7.291 5.90986 16.0567 7.78392 12.113 numMergedOcc 0
20 mol 225 unq 2 iso 0 dist 8.33143 15.2642 7.50697 16.0567 7.78392 5.31124 numMergedOcc 0
21 mol 252 unq 0 iso 0 dist 8.88435 4.68897 9.52528 13.5943 8.99666 15.3449 numMergedOcc 0
22 mol 253 unq 0 iso 0 dist 7.76337 5.31043 8.59229 4.6733 6.74521 3.92688 numMergedOcc 0
23 mol 253 unq 1 iso 0 dist 7.76337 7.85081 7.33165 4.6733 6.74521 3.21986 numMergedOcc 0
24 mol 253 unq 2 iso 0 dist 7.76337 4.41719 9.66967 4.6733 6.74521 4.47943 numMergedOcc 0
25 mol 266 unq 0 iso 0 dist 8.78219 8.86075 7.97711 6.80038 6.83784 3.14784 numMergedOcc 0
26 mol 266 unq 1 iso 0 dist 8.78219 8.86075 7.97711 4.5731 6.38519 5.95721 numMergedOcc 0
27 mol 273 unq 0 iso 0 dist 7.29081 15.3556 8.66133 10.2633 8.13393 9.06868 numMergedOcc 0
28 mol 273 unq 1 iso 0 dist 7.29081 4.3735 6.95569 10.2633 8.13393 11.8515 numMergedOcc 0
29 mol 285 unq 0 iso 0 dist 4.49395 7.14335 5.49829 5.32175 7.08681 8.34667 numMergedOcc 0
30 mol 285 unq 1 iso 0 dist 4.49395 7.14335 5.49829 8.32005 4.95596 8.31211 numMergedOcc 0
31 mol 285 unq 2 iso 0 dist 4.49395 7.14335 5.49829 7.07384 6.3508 8.08247 numMergedOcc 0
32 mol 285 unq 3 iso 0 dist 4.49395 7.14335 5.49829 12.2276 8.3005 7.23311 numMergedOcc 0
33 mol 285 unq 4 iso 0 dist 4.49395 7.67857 6.24134 5.32175 7.08681 4.98469 numMergedOcc 0
34 mol 285 unq 5 iso 0 dist 4.49395 7.67857 6.24134 8.32005 4.95596 10.5542 numMergedOcc 0
35 mol 285 unq 6 iso 0 dist 4.49395 7.67857 6.24134 7.07384 6.3508 12.5361 numMergedOcc 0
36 mol 285 unq 7 iso 0 dist 4.49395 7.67857 6.24134 12.2276 8.3005 11.9464 numMergedOcc 0
37 mol 287 unq 0 iso 0 dist 4.98604 5.04841 6.06665 7.22067 8.73403 8.63376 numMergedOcc 0
38 mol 288 unq 0 iso 0 dist 4.98604 5.04841 6.06665 7.22067 8.73403 8.63376 numMergedOcc 0
39 mol 289 unq 0 iso 0 dist 4.98604 5.04841 6.06665 7.22067 8.73403 8.63376 numMergedOcc 0
