REMARK  Name = BDB001003
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.627   0.068  -0.887  0.00  0.00    +0.039 C 
ATOM      2  C   LIG    1        0.260   0.120   0.129  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1        1.709  -0.115  -0.091  0.00  0.00    -0.001 A 
ATOM      4  C   LIG    1        2.621   0.389   0.850  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        4.003   0.201   0.691  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        4.489  -0.507  -0.404  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.599  -1.036  -1.333  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        2.136   1.109   2.051  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1        2.913   1.520   2.906  0.00  0.00    -0.270 OA
ATOM     10  N   LIG    1        0.778   1.236   2.202  0.00  0.00    -0.248 N 
ATOM     11  H   LIG    1        0.491   1.531   3.124  0.00  0.00    +0.158 HD
ATOM     12  C   LIG    1        2.221  -0.848  -1.177  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -0.166   0.524   1.510  0.00  0.00    +0.251 C 
ATOM     14  O   LIG    1       -1.223   0.198   2.036  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  17
ATOM     15  C   LIG    1       -2.751  -1.909  -0.212  0.00  0.00    +0.149 C 
ATOM     16  N   LIG    1       -2.961  -0.505  -0.490  0.00  0.00    -0.350 N 
ATOM     17  C   LIG    1       -1.992   0.432  -0.780  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1       -2.631   1.643  -0.969  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1       -4.018   1.435  -0.783  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -4.194   0.101  -0.493  0.00  0.00    +0.086 A 
ENDBRANCH   1  17
TORSDOF 1