0 mol 43 unq 0 iso 0 dist 8.54999 9.61711 7.79998 6.56834 9.21978 14.3734 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.54999 9.61711 7.79998 14.3492 8.03754 15.1053 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.93939 6.04163 4.60412 6.34076 9.41049 5.93252 numMergedOcc 0
3 mol 91 unq 0 iso 0 dist 8.29601 6.91417 13.7755 9.57561 7.03536 16.1797 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 9.11115 8.27456 12.0894 9.7565 9.64673 7.27724 numMergedOcc 0
5 mol 147 unq 0 iso 0 dist 9.89646 9.23551 10.2089 6.97147 9.88662 14.5625 numMergedOcc 0
6 mol 210 unq 0 iso 0 dist 5.89811 7.86668 5.4508 5.06314 6.13878 6.18308 numMergedOcc 0
7 mol 217 unq 0 iso 0 dist 6.10085 7.52229 8.71371 7.93016 6.23025 11.1669 numMergedOcc 0
8 mol 234 unq 0 iso 0 dist 5.68265 7.17032 4.93623 5.44278 5.46736 6.56247 numMergedOcc 0
9 mol 236 unq 0 iso 0 dist 7.61854 5.99137 7.45579 5.03598 5.90804 6.27581 numMergedOcc 0
10 mol 243 unq 0 iso 0 dist 8.82741 8.69557 14.0902 9.30844 9.35819 15.2596 numMergedOcc 0
11 mol 243 unq 1 iso 0 dist 8.82741 9.39147 7.07529 9.30844 9.35819 14.4068 numMergedOcc 0
12 mol 243 unq 2 iso 0 dist 4.88105 7.70059 7.07529 9.73641 9.35819 14.4068 numMergedOcc 0
13 mol 258 unq 0 iso 0 dist 7.87577 5.31858 5.90131 6.60345 9.04358 6.42289 numMergedOcc 0
14 mol 258 unq 1 iso 0 dist 7.87577 5.71851 9.68064 6.60345 9.04358 10.1675 numMergedOcc 0
15 mol 261 unq 0 iso 0 dist 5.74302 6.85589 5.09097 5.85483 9.77784 7.73141 numMergedOcc 0
16 mol 261 unq 1 iso 0 dist 5.74302 6.85589 5.09097 4.31412 5.00128 8.43057 numMergedOcc 0
17 mol 261 unq 2 iso 0 dist 5.74302 6.68878 4.86901 5.85483 9.77784 10.0703 numMergedOcc 0
18 mol 261 unq 3 iso 0 dist 5.74302 6.68878 4.86901 4.31412 5.00128 6.05727 numMergedOcc 0
19 mol 265 unq 0 iso 0 dist 6.64109 5.89409 6.86214 7.34861 6.45326 10.3232 numMergedOcc 0
20 mol 265 unq 1 iso 0 dist 8.57593 7.45719 6.86214 6.58565 6.45326 10.3232 numMergedOcc 0
21 mol 279 unq 0 iso 0 dist 9.10723 7.63115 9.98703 5.72173 8.23059 12.369 numMergedOcc 0
