0 mol 12 unq 0 iso 0 dist 4.85969 8.00085 6.91627 9.3276 9.79847 6.62201 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 9.12848 4.84965 8.2056 6.82841 6.39307 5.34733 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.90242 12.921 5.29367 13.1932 9.37435 6.90794 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 9.07029 12.921 8.07937 4.18634 9.63803 15.1234 numMergedOcc 0
4 mol 26 unq 2 iso 0 dist 9.07029 7.62792 6.42206 4.18634 9.63803 7.56492 numMergedOcc 0
5 mol 26 unq 3 iso 0 dist 9.07029 15.6943 9.66602 4.18634 9.63803 13.5965 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 9.00045 4.93105 6.27186 11.1577 4.62314 7.18645 numMergedOcc 0
7 mol 78 unq 1 iso 0 dist 9.00045 4.93105 6.27186 11.2541 4.41745 6.85342 numMergedOcc 0
8 mol 78 unq 2 iso 0 dist 9.00045 4.93105 6.27186 14.937 6.35234 12.613 numMergedOcc 0
9 mol 81 unq 0 iso 0 dist 9.12919 7.67847 8.68497 11.932 5.73799 9.65919 numMergedOcc 0
10 mol 81 unq 1 iso 0 dist 9.12919 7.67847 8.68497 6.10195 8.38883 11.4056 numMergedOcc 0
11 mol 103 unq 0 iso 0 dist 4.9418 5.07478 6.79564 6.18487 4.49975 3.98194 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 7.92498 6.31058 8.28452 9.33696 6.12348 7.05148 numMergedOcc 0
13 mol 113 unq 1 iso 0 dist 7.92498 11.6347 8.44004 9.33696 6.12348 13.2701 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 7.65299 9.99175 6.12404 11.399 8.42219 3.82475 numMergedOcc 0
15 mol 128 unq 0 iso 0 dist 7.4738 10.7154 8.98367 6.24319 9.45412 6.79263 numMergedOcc 0
16 mol 169 unq 0 iso 0 dist 8.11268 6.33958 8.56204 9.33941 6.27683 7.26442 numMergedOcc 0
17 mol 226 unq 0 iso 0 dist 9.31677 11.3876 6.17825 8.63354 9.71835 11.725 numMergedOcc 0
18 mol 233 unq 0 iso 0 dist 7.55878 15.0896 9.49046 6.49444 8.7831 11.9355 numMergedOcc 0
19 mol 233 unq 1 iso 0 dist 7.55878 15.0896 9.49046 6.63339 9.61071 14.1168 numMergedOcc 0
20 mol 233 unq 2 iso 0 dist 7.55878 15.0896 9.49046 9.86764 7.1229 11.3928 numMergedOcc 0
21 mol 233 unq 3 iso 0 dist 7.55878 9.27865 7.24533 6.49444 8.7831 5.47357 numMergedOcc 0
22 mol 233 unq 4 iso 0 dist 7.55878 9.27865 7.24533 6.63339 9.61071 5.47592 numMergedOcc 0
23 mol 233 unq 5 iso 0 dist 7.55878 9.27865 7.24533 9.86764 7.1229 3.67394 numMergedOcc 0
24 mol 233 unq 6 iso 0 dist 4.91191 6.6982 9.49046 9.1334 8.7831 11.9355 numMergedOcc 0
25 mol 233 unq 7 iso 0 dist 4.91191 6.6982 9.49046 9.81222 9.61071 14.1168 numMergedOcc 0
26 mol 233 unq 8 iso 0 dist 4.91191 6.6982 9.49046 5.17683 7.1229 11.3928 numMergedOcc 0
27 mol 233 unq 9 iso 0 dist 4.91191 4.98124 7.24533 9.1334 8.7831 5.47357 numMergedOcc 0
28 mol 233 unq 10 iso 0 dist 4.91191 4.98124 7.24533 9.81222 9.61071 5.47592 numMergedOcc 0
29 mol 233 unq 11 iso 0 dist 4.91191 4.98124 7.24533 5.17683 7.1229 3.67394 numMergedOcc 0
30 mol 256 unq 0 iso 0 dist 9.59101 12.4486 9.36652 9.83969 7.23526 4.80469 numMergedOcc 0
31 mol 256 unq 1 iso 0 dist 9.59101 8.11848 7.54613 9.83969 7.23526 4.07811 numMergedOcc 0
32 mol 292 unq 0 iso 0 dist 8.99187 10.3947 5.76223 10.5437 5.72473 4.0294 numMergedOcc 0
