REMARK  Name = BDB017625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.778   1.804   0.669  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1       -2.092   3.032   1.106  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.819   3.272   0.262  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.186   2.190   0.355  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.463   0.878   0.576  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -1.924   0.756   0.082  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -6.239   0.488   0.243  0.00  0.00    +0.079 A 
ATOM      8  C   LIG    1       -6.957   1.286   1.130  0.00  0.00    +0.055 A 
ATOM      9 CL   LIG    1       -8.671   1.192   1.317  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -6.275   2.242   1.878  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1       -4.890   2.403   1.726  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -4.141   1.631   0.824  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -4.853   0.673   0.085  0.00  0.00    +0.039 A 
BRANCH   7  14
ATOM     14  C   LIG    1       -6.869  -0.549  -0.591  0.00  0.00    +0.341 C 
ATOM     15  O   LIG    1       -6.715  -0.623  -1.799  0.00  0.00    -0.245 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -7.524  -1.425   0.206  0.00  0.00    -0.461 OA
BRANCH  16  18
ATOM     17  C   LIG    1       -7.188  -3.671  -0.630  0.00  0.00    +0.048 C 
ATOM     18  C   LIG    1       -8.162  -2.519  -0.467  0.00  0.00    +0.229 C 
ENDBRANCH  16  18
ENDBRANCH  14  16
ENDBRANCH   7  14
ENDBRANCH   1  12
BRANCH   4  19
ATOM     19  C   LIG    1        1.056   2.205  -0.830  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.314   1.378  -0.662  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1        2.684   0.439  -1.633  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1        3.856  -0.310  -1.478  0.00  0.00    +0.051 A 
ATOM     23  C   LIG    1        4.701  -0.131  -0.372  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        5.936  -0.947  -0.280  0.00  0.00    +0.045 A 
ATOM     25  N   LIG    1        6.832  -0.721   0.763  0.00  0.00    -0.343 N 
ATOM     26  H   LIG    1        6.825   0.238   1.097  0.00  0.00    +0.146 HD
ATOM     27  C   LIG    1        8.168  -1.306   0.738  0.00  0.00    +0.102 C 
ATOM     28  C   LIG    1        8.086  -2.734   0.213  0.00  0.00    +0.023 C 
ATOM     29  C   LIG    1        7.397  -2.771  -1.155  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1        6.179  -1.888  -1.215  0.00  0.00    +0.038 A 
ATOM     31  C   LIG    1        5.266  -2.085  -2.372  0.00  0.00    +0.254 A 
ATOM     32  O   LIG    1        5.485  -2.928  -3.237  0.00  0.00    -0.268 OA
ATOM     33  C   LIG    1        4.317   0.802   0.600  0.00  0.00    +0.012 A 
ATOM     34  N   LIG    1        4.173  -1.270  -2.444  0.00  0.00    -0.322 N 
ATOM     35  H   LIG    1        3.568  -1.421  -3.239  0.00  0.00    +0.169 HD
ATOM     36  C   LIG    1        3.144   1.553   0.453  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 6