0 mol 73 unq 0 iso 0 dist 9.73501 12.1824 6.16745 13.4233 4.40015 8.93939 numMergedOcc 0
1 mol 96 unq 0 iso 0 dist 6.93203 7.84409 7.22615 16.3377 11.9221 9.25941 numMergedOcc 0
2 mol 96 unq 1 iso 0 dist 8.68256 5.68919 7.22615 12.4283 11.9221 9.25941 numMergedOcc 0
3 mol 109 unq 0 iso 0 dist 8.85675 5.07153 6.40989 8.17621 4.37072 5.56645 numMergedOcc 0
4 mol 116 unq 0 iso 0 dist 8.83566 4.86088 6.98134 8.71613 8.89777 5.58346 numMergedOcc 0
5 mol 116 unq 1 iso 0 dist 8.83566 4.86088 6.98134 10.2967 12.5145 7.09179 numMergedOcc 0
6 mol 116 unq 2 iso 0 dist 8.83566 5.28258 8.55413 8.71613 8.89777 6.24768 numMergedOcc 0
7 mol 116 unq 3 iso 0 dist 8.83566 5.28258 8.55413 10.2967 12.5145 9.31875 numMergedOcc 0
8 mol 116 unq 4 iso 0 dist 9.88143 5.61169 7.65919 10.8544 4.82514 6.24768 numMergedOcc 0
9 mol 116 unq 5 iso 0 dist 9.88143 5.61169 7.65919 14.1474 8.63935 9.31875 numMergedOcc 0
10 mol 124 unq 0 iso 0 dist 6.67979 8.25225 8.06631 6.31955 5.3096 8.45451 numMergedOcc 0
11 mol 281 unq 0 iso 0 dist 9.73306 8.77165 7.43535 9.74918 12.4082 7.90993 numMergedOcc 0
12 mol 281 unq 1 iso 0 dist 7.8046 5.25454 7.43535 5.0007 12.4082 7.90993 numMergedOcc 0
13 mol 287 unq 0 iso 0 dist 8.27196 10.9751 8.15636 9.09358 5.15725 4.75392 numMergedOcc 0
14 mol 287 unq 1 iso 0 dist 8.27196 10.9751 8.15636 13.2223 7.46917 8.61667 numMergedOcc 0
15 mol 288 unq 0 iso 0 dist 8.27196 10.9751 8.15636 9.09358 5.15725 4.75392 numMergedOcc 0
16 mol 288 unq 1 iso 0 dist 8.27196 10.9751 8.15636 13.2223 7.46917 8.61667 numMergedOcc 0
17 mol 289 unq 0 iso 0 dist 8.27196 10.9751 8.15636 9.09358 5.15725 4.75392 numMergedOcc 0
18 mol 289 unq 1 iso 0 dist 8.27196 10.9751 8.15636 13.2223 7.46917 8.61667 numMergedOcc 0
19 mol 294 unq 0 iso 0 dist 7.0445 10.0259 7.58948 9.00901 3.33848 5.25409 numMergedOcc 0
20 mol 294 unq 1 iso 0 dist 9.16621 9.83196 7.58948 8.46132 3.33848 5.25409 numMergedOcc 0
