0 mol 20 unq 0 iso 0 dist 7.84796 5.06612 8.72023 10.2801 5.48225 8.25405 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.15677 14.1383 8.44506 9.71123 7.11305 6.38243 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.61029 9.77186 8.44506 7.54282 7.11305 6.38243 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 9.16827 7.56926 8.60739 5.19462 5.07458 7.24352 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 6.6606 5.6194 7.9814 4.88863 5.74372 9.45329 numMergedOcc 0
5 mol 131 unq 0 iso 0 dist 9.69757 13.4383 6.92648 17.1053 8.57203 6.78801 numMergedOcc 0
6 mol 141 unq 0 iso 0 dist 4.93035 5.74529 6.69515 11.6751 13.2918 6.77921 numMergedOcc 0
7 mol 141 unq 1 iso 0 dist 9.75558 5.74529 7.86572 11.6751 13.4066 6.77921 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 8.72463 12.956 7.25673 13.0453 4.78563 8.612 numMergedOcc 0
9 mol 159 unq 0 iso 0 dist 7.78695 6.47213 7.25742 9.36133 4.48323 6.07821 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 8.08787 7.39094 7.28841 14.0445 8.0472 8.17226 numMergedOcc 0
11 mol 186 unq 1 iso 0 dist 5.63906 8.39509 9.83476 14.3942 13.6744 7.04815 numMergedOcc 0
12 mol 186 unq 2 iso 0 dist 5.63906 8.39509 9.83476 14.3172 15.0914 6.07389 numMergedOcc 0
13 mol 196 unq 0 iso 0 dist 6.64506 11.9967 8.20691 8.58805 6.29158 6.25813 numMergedOcc 0
14 mol 198 unq 0 iso 0 dist 5.80867 11.1573 8.10985 13.8552 9.76488 8.8864 numMergedOcc 0
15 mol 198 unq 1 iso 0 dist 5.80867 11.1573 8.10985 8.37455 6.0599 8.12201 numMergedOcc 0
16 mol 198 unq 2 iso 0 dist 5.80867 11.1573 8.10985 11.1608 6.05382 5.45162 numMergedOcc 0
17 mol 198 unq 3 iso 0 dist 9.4363 4.75457 8.10985 10.9058 9.76488 8.8864 numMergedOcc 0
18 mol 198 unq 4 iso 0 dist 9.4363 4.75457 8.10985 8.17562 6.0599 8.12201 numMergedOcc 0
19 mol 198 unq 5 iso 0 dist 9.4363 4.75457 8.10985 8.92777 6.05382 5.45162 numMergedOcc 0
20 mol 224 unq 0 iso 0 dist 7.69537 5.63106 8.37597 10.9012 5.13732 8.54702 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 6.18486 5.98086 5.87815 10.3181 5.73883 9.71916 numMergedOcc 0
22 mol 252 unq 0 iso 0 dist 9.78185 13.7796 7.50201 12.811 7.40852 5.9974 numMergedOcc 0
23 mol 266 unq 0 iso 0 dist 9.27588 7.54414 7.71657 12.4659 4.74189 8.20485 numMergedOcc 0
