REMARK  Name = BDB003906
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        4.573  -1.093  -1.446  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        3.895  -0.212  -0.923  0.00  0.00    +0.220 C 
ATOM      3  N   LIG    1        2.994   0.508  -1.660  0.00  0.00    -0.240 N 
ATOM      4  H   LIG    1        3.165   0.224  -2.621  0.00  0.00    +0.159 HD
ATOM      5  C   LIG    1        1.663   0.220  -1.507  0.00  0.00    +0.313 C 
ATOM      6  O   LIG    1        1.108  -0.334  -2.454  0.00  0.00    -0.252 OA
ATOM      7  N   LIG    1        1.076   0.566  -0.288  0.00  0.00    -0.255 N 
ATOM      8  C   LIG    1        1.861   1.296   0.712  0.00  0.00    +0.116 C 
ATOM      9  C   LIG    1        2.897   0.390   1.361  0.00  0.00    +0.029 C 
ATOM     10  C   LIG    1        4.140   0.245   0.498  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -0.288   0.217   0.032  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -1.259   0.014  -0.957  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1       -2.591  -0.325  -0.635  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -2.985  -0.467   0.707  0.00  0.00    +0.071 A 
ATOM     15  N   LIG    1       -4.242  -0.785   1.065  0.00  0.00    -0.255 NA
ATOM     16  C   LIG    1       -5.150  -0.973   0.083  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1       -4.863  -0.857  -1.264  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -2.026  -0.267   1.684  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1       -3.563  -0.526  -1.626  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1       -0.702   0.068   1.363  0.00  0.00    +0.025 A 
ENDBRANCH   7  11
TORSDOF 1