REMARK  Name = BDB018725
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.781   0.867   0.373  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1        2.199  -0.305  -0.404  0.00  0.00    +0.071 C 
ATOM      3  N   LIG    1        1.523   0.130  -1.594  0.00  0.00    -0.312 N 
ATOM      4  H   LIG    1        1.972   0.357  -2.474  0.00  0.00    +0.149 HD
ATOM      5  C   LIG    1        0.154  -0.035  -1.537  0.00  0.00    +0.221 C 
ATOM      6  O   LIG    1       -0.606   0.155  -2.469  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -0.212  -0.453  -0.126  0.00  0.00    +0.066 C 
ATOM      8  C   LIG    1       -0.663   0.771   0.679  0.00  0.00    +0.132 C 
ATOM      9  N   LIG    1       -2.145   0.640   0.834  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1       -2.599  -0.486  -0.018  0.00  0.00    +0.117 C 
ATOM     11  C   LIG    1       -1.393  -1.410  -0.069  0.00  0.00    +0.037 C 
ATOM     12  C   LIG    1        1.112  -1.068   0.354  0.00  0.00    +0.039 C 
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -2.940   1.650   1.211  0.00  0.00    +0.169 C 
ATOM     14  N   LIG    1       -3.620   2.526   1.541  0.00  0.00    -0.174 NA
ENDBRANCH   9  13
TORSDOF 1