REMARK  Name = BDB039045
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        9.911   4.153   1.877  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1       10.396   3.103   1.153  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        9.694   1.815   1.137  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1       10.572   0.661   1.593  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       10.090  -0.663   1.643  0.00  0.00    +0.094 A 
ATOM      6  N   LIG    1        8.855  -1.157   1.304  0.00  0.00    -0.231 NA
ATOM      7  C   LIG    1        8.899  -2.455   1.530  0.00  0.00    +0.117 A 
ATOM      8  N   LIG    1       10.173  -2.838   1.888  0.00  0.00    -0.326 N 
ATOM      9  C   LIG    1       10.916  -1.692   2.081  0.00  0.00    +0.069 A 
ATOM     10  C   LIG    1       12.209  -1.474   2.564  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       12.706  -0.176   2.481  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       11.934   0.865   1.952  0.00  0.00    -0.039 A 
ATOM     13  C   LIG    1       12.575   2.224   1.766  0.00  0.00    +0.054 C 
ATOM     14  C   LIG    1       11.794   3.029   0.733  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        8.781   4.197   2.352  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   7  16
ATOM     16  C   LIG    1        7.679  -3.283   1.423  0.00  0.00    +0.030 C 
ATOM     17  C   LIG    1        6.198  -2.719   1.503  0.00  0.00    +0.018 C 
ATOM     18  C   LIG    1        6.099  -4.243   1.022  0.00  0.00    -0.008 C 
ATOM     19  C   LIG    1        7.359  -4.746   1.887  0.00  0.00    +0.018 C 
ATOM     20  C   LIG    1        7.212  -3.795   0.008  0.00  0.00    +0.018 C 
ENDBRANCH   7  16
BRANCH   1  22
ATOM     21  C   LIG    1       10.448   6.316   2.740  0.00  0.00    +0.282 C 
ATOM     22  O   LIG    1       10.839   5.144   2.022  0.00  0.00    -0.454 OA
ENDBRANCH   1  22
BRANCH   8  23
ATOM     23  C   LIG    1       10.685  -4.186   2.053  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       11.077  -4.899   0.738  0.00  0.00    +0.147 C 
BRANCH  24  25
ATOM     25  C   LIG    1       12.286  -4.334  -0.004  0.00  0.00    -0.032 A 
ATOM     26  C   LIG    1       13.584  -4.843   0.185  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       14.674  -4.323  -0.521  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       14.488  -3.289  -1.432  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       13.209  -2.780  -1.643  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       12.117  -3.293  -0.933  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
BRANCH  24  31
ATOM     31  C   LIG    1       11.268  -6.372   1.078  0.00  0.00    +0.314 C 
ATOM     32  O   LIG    1       11.622  -6.787   2.172  0.00  0.00    -0.250 OA
BRANCH  31  33
ATOM     33  O   LIG    1       11.050  -7.207   0.036  0.00  0.00    -0.480 OA
ATOM     34  H   LIG    1       10.867  -6.754  -0.811  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  24  31
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 7