REMARK  Name = BDB000970
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.484  -0.677  -0.044  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1        0.470   0.253   0.288  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        0.255   1.182   0.627  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        1.709  -0.287   0.068  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.436  -1.549  -0.449  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        2.497  -2.379  -0.842  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        3.810  -1.906  -0.718  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        4.062  -0.635  -0.195  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.013   0.196   0.229  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.082  -1.781  -0.493  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -2.660  -1.554   0.790  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -1.960  -0.384   0.087  0.00  0.00    +0.075 C 
ATOM     13  N   LIG    1       -2.150   0.876   0.859  0.00  0.00    -0.305 NA
ATOM     14  H   LIG    1       -2.606   0.678   1.749  0.00  0.00    +0.123 HD
ATOM     15  C   LIG    1       -2.995   1.764   0.057  0.00  0.00    +0.082 C 
ATOM     16  C   LIG    1       -2.672   1.395  -1.373  0.00  0.00    +0.017 C 
ATOM     17  C   LIG    1       -2.574  -0.117  -1.299  0.00  0.00    +0.031 C 
ENDBRANCH   1  12
BRANCH   9  18
ATOM     18  C   LIG    1        3.315   1.524   0.799  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1        4.302   2.163   0.464  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1        2.466   1.986   1.770  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1        1.948   1.320   2.329  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1        2.803   2.808   2.258  0.00  0.00    +0.145 HD
ENDBRANCH   9  18
TORSDOF 2