REMARK  Name = BDB009236
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.310   1.228  -1.268  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.497   0.084  -1.353  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.587   0.043  -2.239  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.841   1.155  -3.055  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.049   2.300  -2.962  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.019   2.340  -2.066  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        1.845   2.408   0.076  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.465   1.316  -0.331  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        2.079   0.127   0.006  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1        1.849  -0.715  -0.503  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.255   0.102   0.858  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.529   0.472   0.095  0.00  0.00    +0.054 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.750   0.391   0.976  0.00  0.00    -0.046 A 
ATOM     14  C   LIG    1        6.097   1.471   1.800  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        7.215   1.394   2.632  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        7.992   0.238   2.651  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        7.653  -0.843   1.839  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        6.535  -0.769   1.006  0.00  0.00    +0.004 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  C   LIG    1       -2.453  -1.192  -2.349  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.916  -1.738  -1.002  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -3.982  -1.020  -0.235  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -4.636   0.215  -0.788  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -5.913   0.611  -0.039  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -5.720   0.508   1.468  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.338  -0.917   1.875  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -4.316  -1.536   0.961  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -3.661  -2.776   1.447  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -3.959  -3.289   2.521  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -2.711  -3.314   0.622  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -2.254  -4.164   0.936  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -2.324  -2.819  -0.583  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 6