0 mol 21 unq 0 iso 0 dist 6.97295 4.81505 8.07914 12.2506 7.30688 10.1117 numMergedOcc 0
1 mol 21 unq 1 iso 0 dist 6.97295 4.81505 8.07914 8.76382 6.70786 9.53082 numMergedOcc 0
2 mol 21 unq 2 iso 0 dist 6.97295 4.81505 8.07914 10.1879 8.16395 9.20888 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 7.49678 5.37112 5.06188 4.27513 7.78899 4.55422 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 7.96214 13.6612 9.06142 8.21525 6.34748 9.83589 numMergedOcc 0
5 mol 56 unq 1 iso 0 dist 7.96214 13.6612 9.06142 4.55988 8.25594 13.3076 numMergedOcc 0
6 mol 56 unq 2 iso 0 dist 7.96214 11.9413 8.41264 8.21525 6.34748 12.3293 numMergedOcc 0
7 mol 56 unq 3 iso 0 dist 7.96214 11.9413 8.41264 4.55988 8.25594 9.40102 numMergedOcc 0
8 mol 67 unq 0 iso 0 dist 9.67476 12.9986 8.27009 6.00324 6.44825 11.2455 numMergedOcc 0
9 mol 67 unq 1 iso 0 dist 9.67476 4.85065 5.80736 6.00324 6.44825 3.83735 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 7.52544 4.77004 5.73235 4.05111 6.14248 6.1999 numMergedOcc 0
11 mol 76 unq 1 iso 0 dist 8.08674 4.77004 7.48127 4.05111 6.97936 6.1999 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 9.83241 12.8233 7.6453 5.71616 9.31543 9.82512 numMergedOcc 0
13 mol 129 unq 1 iso 0 dist 9.83241 12.8233 7.6453 11.0564 8.85652 6.31483 numMergedOcc 0
14 mol 168 unq 0 iso 0 dist 9.63035 6.26263 8.72323 13.9932 5.03696 11.109 numMergedOcc 0
15 mol 168 unq 1 iso 0 dist 7.19585 5.10257 8.72323 9.82889 5.03696 11.109 numMergedOcc 0
16 mol 168 unq 2 iso 0 dist 8.66519 16.2743 8.72323 5.5458 5.03696 11.109 numMergedOcc 0
17 mol 168 unq 3 iso 0 dist 8.35731 15.4709 8.72323 4.858 5.03696 11.109 numMergedOcc 0
18 mol 182 unq 0 iso 0 dist 8.25297 9.56793 6.38335 4.28285 5.61979 5.2973 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 7.78385 4.62781 9.2254 9.6256 5.27578 12.8633 numMergedOcc 0
20 mol 186 unq 1 iso 0 dist 7.17789 10.2242 9.2254 6.70611 5.27578 12.8633 numMergedOcc 0
21 mol 198 unq 0 iso 0 dist 8.35833 11.9993 9.87574 10.9966 7.7619 4.58443 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 6.73513 7.90201 4.81837 4.60102 5.63283 4.7106 numMergedOcc 0
23 mol 205 unq 1 iso 0 dist 6.73513 11.9426 6.43519 4.60102 5.63283 10.4922 numMergedOcc 0
24 mol 236 unq 0 iso 0 dist 7.73969 11.1044 4.71683 7.15922 9.67162 10.7395 numMergedOcc 0
25 mol 239 unq 0 iso 0 dist 8.4319 10.3585 7.58554 3.73109 7.98794 7.26668 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 6.92271 4.00063 8.15119 14.6762 9.91103 13.1828 numMergedOcc 0
27 mol 277 unq 1 iso 0 dist 6.92271 4.00063 8.15119 11.68 7.0603 10.6994 numMergedOcc 0
28 mol 277 unq 2 iso 0 dist 8.62666 9.31316 8.15119 11.3103 9.91103 13.1828 numMergedOcc 0
29 mol 277 unq 3 iso 0 dist 8.62666 9.31316 8.15119 10.5734 7.0603 10.6994 numMergedOcc 0
30 mol 292 unq 0 iso 0 dist 9.38624 6.92318 5.83342 4.75377 9.53621 4.65271 numMergedOcc 0
31 mol 292 unq 1 iso 0 dist 9.38624 6.92318 5.83342 3.66719 9.24101 5.90311 numMergedOcc 0
