0 mol 5 unq 0 iso 0 dist 8.70824 4.9568 10.7591 4.91776 6.81899 9.47911 4.42081 8.97274 7.56229 6.28914 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 5.93404 4.9568 3.91535 4.91776 8.91509 9.47911 4.42081 7.5815 7.56229 6.28914 numMergedOcc 0
2 mol 83 unq 0 iso 0 dist 6.77845 9.94528 4.48523 5.83828 7.9309 12.2134 11.6894 7.93119 11.0219 7.89284 numMergedOcc 0
3 mol 83 unq 1 iso 0 dist 6.77845 9.94528 4.48523 5.83828 7.9309 12.2134 6.51558 5.25361 5.35861 9.76251 numMergedOcc 0
4 mol 83 unq 2 iso 0 dist 5.48555 8.94777 4.48523 7.62986 7.9309 12.2134 10.6214 7.93119 11.0219 7.89284 numMergedOcc 0
5 mol 83 unq 3 iso 0 dist 5.48555 8.94777 4.48523 7.62986 7.9309 12.2134 9.07479 5.25361 5.35861 9.76251 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 5.81553 9.60648 7.8359 4.49464 6.39026 12.7826 3.82552 6.6536 9.66492 7.12458 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 6.65267 8.22722 3.60683 6.70307 4.73804 8.32179 3.84992 8.88752 11.0561 7.15161 numMergedOcc 0
8 mol 205 unq 0 iso 0 dist 8.47833 8.93485 6.82382 9.61557 8.27071 11.5105 6.10058 7.53734 7.68686 5.23547 numMergedOcc 0
9 mol 205 unq 1 iso 0 dist 5.47586 5.66636 6.82382 7.43264 8.27071 11.5105 3.50446 7.53734 7.68686 5.23547 numMergedOcc 0
10 mol 222 unq 0 iso 0 dist 4.87053 4.90656 5.63584 6.45821 5.17916 9.95874 4.91709 7.99441 8.88902 7.60854 numMergedOcc 0
11 mol 222 unq 1 iso 0 dist 4.87053 4.90656 5.63584 6.45821 5.17916 9.95874 5.96186 6.71817 9.83916 5.13817 numMergedOcc 0
12 mol 222 unq 2 iso 0 dist 4.87053 4.90656 5.63584 6.45821 5.17916 9.95874 9.55743 8.41524 13.2186 4.54609 numMergedOcc 0
13 mol 283 unq 0 iso 0 dist 5.90728 9.35302 12.6455 7.50871 6.93798 16.6953 5.14231 5.32876 13.6064 5.83652 numMergedOcc 0
14 mol 283 unq 1 iso 0 dist 5.90728 9.35302 12.6455 7.50871 6.93798 16.6953 4.25884 7.60296 13.0176 5.99759 numMergedOcc 0
15 mol 283 unq 2 iso 0 dist 5.90728 8.85163 7.97597 7.50871 6.93798 9.33601 5.14231 5.32876 11.5443 5.83652 numMergedOcc 0
16 mol 283 unq 3 iso 0 dist 5.90728 8.85163 7.97597 7.50871 6.93798 9.33601 4.25884 7.60296 11.6249 5.99759 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 6.96248 6.16127 8.95194 10.5258 8.5458 12.5897 11.9352 8.43856 15.192 4.53492 numMergedOcc 0
18 mol 287 unq 1 iso 0 dist 6.96248 6.16127 8.95194 5.45438 8.56533 8.7503 11.9352 8.43856 15.192 9.26749 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 6.96248 6.16127 8.95194 10.5258 8.5458 12.5897 11.9352 8.43856 15.192 4.53492 numMergedOcc 0
20 mol 288 unq 1 iso 0 dist 6.96248 6.16127 8.95194 5.45438 8.56533 8.7503 11.9352 8.43856 15.192 9.26749 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 6.96248 6.16127 8.95194 10.5258 8.5458 12.5897 11.9352 8.43856 15.192 4.53492 numMergedOcc 0
22 mol 289 unq 1 iso 0 dist 6.96248 6.16127 8.95194 5.45438 8.56533 8.7503 11.9352 8.43856 15.192 9.26749 numMergedOcc 0
