0 mol 17 unq 0 iso 0 dist 9.55169 10.6611 8.48453 14.187 5.14154 8.80499 numMergedOcc 0
1 mol 42 unq 0 iso 0 dist 9.82536 7.17806 6.14934 8.77998 5.59383 8.04675 numMergedOcc 0
2 mol 42 unq 1 iso 0 dist 9.82536 7.2023 8.64833 16.0544 11.4997 9.82637 numMergedOcc 0
3 mol 42 unq 2 iso 0 dist 8.77998 7.17806 8.04675 9.82536 5.59383 6.14934 numMergedOcc 0
4 mol 46 unq 0 iso 0 dist 8.37969 6.09371 8.2513 13.3266 7.32297 9.31319 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 8.40871 15.2043 7.80757 15.4151 7.19663 5.5849 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 9.81252 10.6668 6.06543 13.845 5.59517 5.87387 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 7.49404 5.1971 6.38977 13.1722 7.50824 9.64856 numMergedOcc 0
8 mol 131 unq 1 iso 0 dist 7.49404 5.1971 6.38977 10.6353 5.55373 9.69757 numMergedOcc 0
9 mol 197 unq 0 iso 0 dist 7.18765 9.84251 6.22696 13.1253 6.75702 8.12158 numMergedOcc 0
10 mol 204 unq 0 iso 0 dist 9.65951 9.46843 7.92766 12.636 12.5143 6.32652 numMergedOcc 0
11 mol 204 unq 1 iso 0 dist 9.14829 14.3686 7.92766 18.0683 12.5143 6.32652 numMergedOcc 0
12 mol 213 unq 0 iso 0 dist 9.24466 9.92508 9.06306 17.6739 11.2306 9.40939 numMergedOcc 0
13 mol 213 unq 1 iso 0 dist 8.67044 9.30688 8.10356 15.7075 11.3915 6.77104 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 6.9028 14.2022 7.96424 12.0573 6.89336 5.40366 numMergedOcc 0
15 mol 220 unq 1 iso 0 dist 6.9028 14.2022 7.96424 18.1733 13.4403 8.93637 numMergedOcc 0
16 mol 220 unq 2 iso 0 dist 7.23901 13.7941 7.96424 14.0087 6.89336 5.40366 numMergedOcc 0
17 mol 220 unq 3 iso 0 dist 7.23901 13.7941 7.96424 20.4942 13.4403 8.93637 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 9.94587 13.6648 9.82174 10.3089 14.0328 9.2521 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 9.94587 13.6648 9.82174 15.6488 15.8898 8.51359 numMergedOcc 0
20 mol 238 unq 2 iso 0 dist 9.09166 12.3198 9.2521 9.77913 14.0328 9.82174 numMergedOcc 0
21 mol 238 unq 3 iso 0 dist 9.09166 12.3198 9.2521 12.5761 6.85126 8.51359 numMergedOcc 0
22 mol 249 unq 0 iso 0 dist 9.0157 4.20982 6.93507 9.14351 8.34718 6.42827 numMergedOcc 0
23 mol 249 unq 1 iso 0 dist 9.14351 4.20982 6.42827 9.0157 8.34718 6.93507 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 8.70852 16.8784 9.34738 11.1914 4.86771 6.49599 numMergedOcc 0
25 mol 259 unq 1 iso 0 dist 8.70852 16.8784 9.34738 9.89728 7.64658 9.47382 numMergedOcc 0
26 mol 259 unq 2 iso 0 dist 9.89728 16.8784 9.47382 11.1914 6.96053 6.49599 numMergedOcc 0
27 mol 259 unq 3 iso 0 dist 9.89728 16.8784 9.47382 8.70852 7.64658 9.34738 numMergedOcc 0
