REMARK  Name = BDB005651
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.165  -0.053   0.073  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1       -0.015  -0.813  -0.020  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1        0.098  -2.197   0.203  0.00  0.00    +0.055 A 
ATOM      4  N   LIG    1       -1.040  -3.010   0.160  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -0.971  -4.003   0.330  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -2.298  -2.546  -0.095  0.00  0.00    +0.254 A 
ATOM      7  C   LIG    1       -2.434  -1.093  -0.364  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -3.816  -0.589  -0.693  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -3.921   0.941  -0.662  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -2.696   1.585  -1.300  0.00  0.00    +0.102 C 
ATOM     11  N   LIG    1       -1.504   1.075  -0.643  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -0.626   1.503  -0.941  0.00  0.00    +0.146 HD
ATOM     13  O   LIG    1       -3.262  -3.305  -0.113  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        1.332  -2.804   0.472  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        2.501  -2.037   0.527  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -1.364  -0.273  -0.341  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        2.408  -0.659   0.311  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  18
ATOM     18  O   LIG    1        1.172   1.310  -0.130  0.00  0.00    -0.491 OA
BRANCH  18  19
ATOM     19  C   LIG    1        1.140   1.992   1.136  0.00  0.00    +0.229 C 
BRANCH  19  21
ATOM     20  C   LIG    1        0.254   4.122   0.072  0.00  0.00    +0.007 C 
ATOM     21  C   LIG    1        1.357   3.486   0.905  0.00  0.00    +0.038 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
BRANCH  15  22
ATOM     22  C   LIG    1        3.837  -2.688   0.766  0.00  0.00    +0.113 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.467  -3.076  -0.489  0.00  0.00    -0.326 NA
ATOM     24  H   LIG    1        4.570  -2.250  -1.077  0.00  0.00    +0.119 HD
ATOM     25  H   LIG    1        3.841  -3.698  -0.998  0.00  0.00    +0.119 HD
ENDBRANCH  22  23
ENDBRANCH  15  22
TORSDOF 5