REMARK  Name = BDB045608
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.239  -0.237   0.659  0.00  0.00    +0.051 A 
ATOM      2  N   LIG    1       -0.144  -1.121   1.634  0.00  0.00    -0.322 N 
ATOM      3  H   LIG    1        0.549  -1.535   2.243  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1       -1.443  -1.480   1.874  0.00  0.00    +0.254 A 
ATOM      5  O   LIG    1       -1.738  -2.268   2.767  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -2.472  -0.855   0.992  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1       -3.898  -1.261   1.221  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -4.793  -0.897   0.038  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -4.496   0.515  -0.451  0.00  0.00    +0.105 C 
ATOM     10  N   LIG    1       -3.067   0.645  -0.789  0.00  0.00    -0.333 N 
ATOM     11  C   LIG    1       -2.760   1.748  -1.700  0.00  0.00    +0.129 C 
ATOM     12  C   LIG    1       -2.107   0.029   0.035  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1       -0.691   0.328  -0.128  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1        4.428   0.567   0.215  0.00  0.00    +0.120 A 
ATOM     15  C   LIG    1        3.944  -0.737   0.103  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        2.575  -0.995   0.247  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        1.673   0.047   0.502  0.00  0.00    -0.001 A 
ATOM     18  C   LIG    1        2.164   1.352   0.616  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        3.531   1.606   0.472  0.00  0.00    +0.046 A 
BRANCH  14  21
ATOM     20  C   LIG    1        6.688  -0.068  -0.160  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        5.733   0.955   0.096  0.00  0.00    -0.495 OA
ENDBRANCH  14  21
ENDBRANCH   1  17
TORSDOF 2