0 mol 42 unq 0 iso 0 dist 8.23258 5.20888 6.14934 12.1252 5.59383 8.04675 numMergedOcc 0
1 mol 42 unq 1 iso 0 dist 8.23258 7.62739 8.64833 11.6167 11.4997 9.82637 numMergedOcc 0
2 mol 70 unq 0 iso 0 dist 9.49626 12.7235 9.74268 11.8044 5.22626 7.95122 numMergedOcc 0
3 mol 89 unq 0 iso 0 dist 8.56124 7.60895 9.51842 9.61 10.4087 8.25651 numMergedOcc 0
4 mol 89 unq 1 iso 0 dist 8.85873 8.12715 8.25651 16.2093 10.4087 9.51842 numMergedOcc 0
5 mol 94 unq 0 iso 0 dist 8.01724 7.12032 9.24996 10.944 8.97208 8.37473 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 7.42474 6.68479 7.63658 12.6327 10.838 7.65229 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 6.71345 8.20626 5.87387 11.7295 5.59517 6.06543 numMergedOcc 0
8 mol 197 unq 0 iso 0 dist 6.18446 5.44392 6.22696 11.5145 6.75702 8.12158 numMergedOcc 0
9 mol 197 unq 1 iso 0 dist 9.7541 7.76736 8.12158 11.9025 6.75702 6.22696 numMergedOcc 0
10 mol 213 unq 0 iso 0 dist 9.73691 5.88456 6.82881 11.9596 5.45334 6.82185 numMergedOcc 0
11 mol 218 unq 0 iso 0 dist 8.95233 6.91862 6.22077 11.5222 7.83217 5.52981 numMergedOcc 0
12 mol 238 unq 0 iso 0 dist 9.39537 8.99495 9.82174 8.97461 14.0328 9.2521 numMergedOcc 0
13 mol 238 unq 1 iso 0 dist 9.39537 8.99495 9.82174 8.89487 15.8898 8.51359 numMergedOcc 0
14 mol 238 unq 2 iso 0 dist 8.97461 8.99495 9.2521 9.39537 14.0328 9.82174 numMergedOcc 0
15 mol 238 unq 3 iso 0 dist 8.97461 8.99495 9.2521 8.89487 6.85126 8.51359 numMergedOcc 0
16 mol 238 unq 4 iso 0 dist 6.94654 6.02698 8.51359 13.7556 15.8898 9.82174 numMergedOcc 0
17 mol 238 unq 5 iso 0 dist 6.94654 6.02698 8.51359 11.7526 6.85126 9.2521 numMergedOcc 0
18 mol 238 unq 6 iso 0 dist 8.89487 8.99495 8.51359 9.39537 15.8898 9.82174 numMergedOcc 0
19 mol 238 unq 7 iso 0 dist 8.89487 8.99495 8.51359 8.97461 6.85126 9.2521 numMergedOcc 0
20 mol 271 unq 0 iso 0 dist 7.9494 6.87008 9.67453 15.0958 16.9733 9.04738 numMergedOcc 0
21 mol 271 unq 1 iso 0 dist 7.9494 6.87008 9.67453 13.1403 9.98968 8.68046 numMergedOcc 0
22 mol 271 unq 2 iso 0 dist 7.9494 6.87008 9.67453 11.6255 10.5503 5.98336 numMergedOcc 0
23 mol 271 unq 3 iso 0 dist 7.38758 9.68063 9.04738 15.3351 9.81725 8.68046 numMergedOcc 0
24 mol 271 unq 4 iso 0 dist 7.38758 9.68063 9.04738 13.4043 10.2122 5.98336 numMergedOcc 0
25 mol 271 unq 5 iso 0 dist 7.38758 9.68063 9.04738 19.0255 16.9733 9.67453 numMergedOcc 0
26 mol 284 unq 0 iso 0 dist 9.98268 16.0227 9.27402 6.83147 5.87439 9.26573 numMergedOcc 0
27 mol 284 unq 1 iso 0 dist 6.83147 16.0227 9.26573 9.98268 5.87439 9.27402 numMergedOcc 0
