0 mol 43 unq 0 iso 0 dist 8.06275 9.72346 9.86609 5.5249 8.80331 7.39848 7.62357 9.02471 14.5234 12.6657 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.06275 9.72346 9.86609 10.4413 6.20293 11.4251 7.62357 9.02471 14.5234 14.0654 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 9.43143 9.85325 4.7874 10.5786 8.8178 11.4964 10.2533 4.86198 6.79423 5.21565 numMergedOcc 0
3 mol 72 unq 1 iso 0 dist 9.43143 9.85325 4.7874 16.2349 9.96708 14.6356 10.2533 4.86198 6.79423 10.7434 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 9.29446 9.9934 15.5077 11.2307 7.9245 18.9488 13.5358 7.69072 21.1253 3.46486 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 7.90775 8.6356 7.82258 4.16047 9.03572 11.8859 6.56529 7.51733 10.6299 4.73066 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 9.70016 7.25771 5.46207 13.2553 5.86073 9.30832 13.586 9.59585 13.6813 13.0914 numMergedOcc 0
7 mol 113 unq 1 iso 0 dist 9.70016 7.25771 5.46207 13.2553 5.86073 9.30832 5.90637 9.7073 10.5565 12.5818 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 5.06555 8.0889 5.61274 7.75534 8.75408 12.0528 8.14689 6.42623 7.84207 5.6295 numMergedOcc 0
9 mol 120 unq 1 iso 0 dist 5.06555 8.0889 5.61274 7.75534 8.75408 12.0528 5.74365 8.95899 8.56947 8.97962 numMergedOcc 0
10 mol 120 unq 2 iso 0 dist 5.06555 8.0889 5.61274 5.61914 6.44653 7.53694 8.14689 6.42623 7.84207 3.824 numMergedOcc 0
11 mol 120 unq 3 iso 0 dist 5.06555 8.0889 5.61274 5.61914 6.44653 7.53694 5.74365 8.95899 8.56947 4.96885 numMergedOcc 0
12 mol 169 unq 0 iso 0 dist 6.28961 7.07933 5.38859 5.3864 8.49164 11.7009 12.9917 9.37946 6.96715 17.056 numMergedOcc 0
13 mol 169 unq 1 iso 0 dist 6.28961 7.07933 5.38859 5.3864 8.49164 11.7009 12.2955 9.13646 11.3131 13.8168 numMergedOcc 0
14 mol 169 unq 2 iso 0 dist 6.28961 7.07933 5.38859 5.3864 8.49164 11.7009 11.6543 8.34216 12.6178 11.1511 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 6.11505 4.72209 7.35363 9.35174 9.61492 13.8425 13.9601 9.31158 16.1183 10.8636 numMergedOcc 0
16 mol 205 unq 1 iso 0 dist 6.11505 4.72209 7.35363 11.3225 7.45763 12.5568 13.9601 9.31158 16.1183 5.42503 numMergedOcc 0
17 mol 231 unq 0 iso 0 dist 6.02527 9.59251 8.58535 6.68357 7.37839 13.3733 11.6594 9.9868 11.5899 16.456 numMergedOcc 0
18 mol 231 unq 1 iso 0 dist 6.02527 9.59251 8.58535 6.68357 7.37839 13.3733 7.54254 7.3268 15.2817 6.63423 numMergedOcc 0
19 mol 231 unq 2 iso 0 dist 6.02527 9.59251 8.58535 7.6832 8.40182 11.7319 11.6594 9.9868 11.5899 17.7601 numMergedOcc 0
20 mol 231 unq 3 iso 0 dist 6.02527 9.59251 8.58535 7.6832 8.40182 11.7319 7.54254 7.3268 15.2817 10.3815 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 8.82778 9.0495 4.61469 11.4665 6.16342 9.68695 10.7268 4.43499 6.09626 4.32238 numMergedOcc 0
