0 mol 10 unq 0 iso 0 dist 7.57901 7.2786 9.88507 5.76822 9.43029 12.8824 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 6.05244 13.7296 9.52857 10.7889 9.90835 11.7488 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 8.12513 4.9813 8.23202 12.0488 5.96231 9.43025 numMergedOcc 0
3 mol 46 unq 1 iso 0 dist 6.9762 12.8946 8.23202 6.50598 5.96231 9.43025 numMergedOcc 0
4 mol 60 unq 0 iso 0 dist 8.6492 6.20761 6.65867 6.39094 6.63448 4.70443 numMergedOcc 0
5 mol 128 unq 0 iso 0 dist 4.89256 7.31749 8.73383 6.15201 9.59437 4.6853 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 9.63085 9.5684 9.75061 13.1596 7.75314 9.35007 numMergedOcc 0
7 mol 146 unq 0 iso 0 dist 8.73563 10.7724 6.47434 11.9684 9.23136 4.70365 numMergedOcc 0
8 mol 146 unq 1 iso 0 dist 9.64915 10.4249 6.47434 9.15092 9.23136 4.70365 numMergedOcc 0
9 mol 169 unq 0 iso 0 dist 9.03552 12.3042 5.82321 12.1541 6.0859 5.36315 numMergedOcc 0
10 mol 169 unq 1 iso 0 dist 9.03552 12.3042 5.82321 14.0696 6.05009 6.49048 numMergedOcc 0
11 mol 169 unq 2 iso 0 dist 8.59976 11.3036 5.82321 6.43144 6.0859 5.36315 numMergedOcc 0
12 mol 169 unq 3 iso 0 dist 8.59976 11.3036 5.82321 6.37039 6.05009 6.49048 numMergedOcc 0
13 mol 192 unq 0 iso 0 dist 8.25221 5.09521 8.14859 4.85767 9.40971 8.06606 numMergedOcc 0
14 mol 192 unq 1 iso 0 dist 6.64416 5.09521 5.62421 4.85767 9.8428 8.06606 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 6.67938 11.7954 7.59757 9.16346 9.48625 14.13 numMergedOcc 0
16 mol 236 unq 0 iso 0 dist 5.27184 5.81446 5.91739 4.51728 6.15635 4.58625 numMergedOcc 0
17 mol 273 unq 0 iso 0 dist 6.59092 12.2394 8.83491 4.3735 5.61969 12.7125 numMergedOcc 0
18 mol 273 unq 1 iso 0 dist 6.59092 7.5139 9.02711 4.3735 5.61969 10.8576 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 6.71956 10.2688 9.35976 10.3171 9.26157 13.1828 numMergedOcc 0
