REMARK  Name = BDB013702
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.335   3.176  -0.769  0.00  0.00    +0.176 C 
ATOM      2  N   LIG    1        3.337   1.762  -0.446  0.00  0.00    -0.230 N 
ATOM      3  C   LIG    1        4.540   1.107  -0.218  0.00  0.00    +0.275 A 
ATOM      4  O   LIG    1        5.645   1.639  -0.292  0.00  0.00    -0.266 OA
ATOM      5  C   LIG    1        4.449  -0.324   0.114  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        3.199  -0.918   0.245  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        3.113  -2.295   0.500  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        4.276  -3.055   0.654  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        5.527  -2.450   0.547  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        1.997  -0.055   0.089  0.00  0.00    +0.147 A 
ATOM     11  C   LIG    1        5.615  -1.086   0.272  0.00  0.00    +0.014 A 
ATOM     12  N   LIG    1        2.103   1.199  -0.253  0.00  0.00    -0.153 NA
ENDROOT
BRANCH  10  13
ATOM     13  N   LIG    1        0.744  -0.599   0.322  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1        0.717  -1.326   1.028  0.00  0.00    +0.148 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -0.451   0.245   0.350  0.00  0.00    +0.118 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.723  -0.631   0.337  0.00  0.00    +0.103 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -2.985   0.107   0.527  0.00  0.00    -0.301 NA
ATOM     18  C   LIG    1       -3.183   1.140  -0.504  0.00  0.00    +0.084 C 
ATOM     19  C   LIG    1       -4.643   1.574  -0.623  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1       -5.536   0.407  -1.041  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1       -4.971  -0.942  -0.598  0.00  0.00    +0.015 C 
ATOM     22  C   LIG    1       -4.133  -0.804   0.670  0.00  0.00    +0.084 C 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH  10  13
TORSDOF 4