0 mol 39 unq 0 iso 0 dist 5.00126 9.70029 7.401 6.37567 7.33969 6.24515 numMergedOcc 0
1 mol 39 unq 1 iso 0 dist 5.00126 9.70029 7.401 5.92759 7.45237 6.47855 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 9.70415 5.67362 13.5488 7.64232 11.7721 7.46994 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 8.70949 9.67641 13.6485 17.4457 21.662 9.0008 numMergedOcc 0
4 mol 67 unq 1 iso 0 dist 8.70949 9.67641 13.6485 12.5728 18.4839 9.77887 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 8.41567 4.73362 4.85247 7.5192 6.21982 7.03226 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 5.56964 4.73362 6.45686 7.5192 8.19682 7.03226 numMergedOcc 0
7 mol 76 unq 2 iso 0 dist 6.62246 7.3795 4.85247 9.82998 6.21982 7.03226 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 9.56324 6.36749 9.75737 10.9911 14.448 7.09065 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 7.85527 8.05937 7.45148 11.0594 10.5042 7.26955 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 5.22024 7.43112 5.18913 10.8174 9.30812 6.21403 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 8.57582 6.09693 5.18913 6.51469 9.30812 6.21403 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 9.68507 6.40435 6.03934 5.32985 10.9818 5.81122 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 8.90247 9.99409 8.91338 10.168 13.2702 5.95304 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 6.58792 9.99409 11.85 10.168 14.8211 5.95304 numMergedOcc 0
15 mol 227 unq 0 iso 0 dist 7.71761 6.65275 6.48027 10.2228 12.8864 7.57454 numMergedOcc 0
16 mol 232 unq 0 iso 0 dist 8.89211 6.71099 6.2188 6.12197 7.07392 7.10413 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 5.67917 8.52162 8.1195 13.4787 10.924 7.04753 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 8.96639 8.52162 13.49 13.4787 15.588 7.04753 numMergedOcc 0
19 mol 241 unq 0 iso 0 dist 8.98668 9.14228 4.90279 13.6264 6.83797 8.00537 numMergedOcc 0
20 mol 256 unq 0 iso 0 dist 5.98967 9.31961 7.7384 6.25507 5.24676 9.18903 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 7.07459 7.88238 9.87336 7.4578 12.2711 6.43034 numMergedOcc 0
