# type xyz
# bbcenter com
# bbconn 4*4 7*7 10*10 13*13 / 1*1 2*2 
14
  1 cu    -0.012435    1.295165    0.000002   cu6_*1cu1o4             cu2p                 4       2       5       8      11      14  
  2 cu     0.012436   -1.295165   -0.000002   cu6_*1cu1o4             cu2p                 4       1       3       6       9      12  
  3 o     -1.417899   -1.104602    1.412407   o2_c1cu1                co2                  0       2       4  
  4 c     -1.813538    0.040565    1.817066   c3_*1o2                 co2                  0       3       5  
  5 o     -1.401757    1.178954    1.412612   o2_c1cu1                co2                  0       1       4  
  6 o     -1.417901   -1.104595   -1.412410   o2_c1cu1                co2                  1       2       7  
  7 c     -1.813541    0.040577   -1.817064   c3_*1o2                 co2                  1       6       8  
  8 o     -1.401760    1.178961   -1.412603   o2_c1cu1                co2                  1       1       7  
  9 o      1.401762   -1.178958    1.412603   o2_c1cu1                co2                  2       2      10  
 10 c      1.813543   -0.040582    1.817063   c3_*1o2                 co2                  2       9      11  
 11 o      1.417902    1.104597    1.412410   o2_c1cu1                co2                  2       1      10  
 12 o      1.401759   -1.178954   -1.412613   o2_c1cu1                co2                  3       2      13  
 13 c      1.813541   -0.040563   -1.817066   c3_*1o2                 co2                  3      12      14  
 14 o      1.417901    1.104601   -1.412407   o2_c1cu1                co2                  3       1      13