REMARK  Name = BDB000999
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.478  -0.126   0.099  0.00  0.00    +0.066 A 
ATOM      2  N   LIG    1       -0.450  -0.997  -0.444  0.00  0.00    -0.356 N 
ATOM      3  H   LIG    1       -0.230  -1.817  -0.991  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1       -1.711  -0.571  -0.143  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -2.989  -1.230  -0.523  0.00  0.00    +0.072 C 
ATOM      6  C   LIG    1       -4.102  -0.162  -0.489  0.00  0.00    +0.110 C 
ATOM      7  N   LIG    1       -4.014   0.737   0.661  0.00  0.00    -0.311 N 
ATOM      8  H   LIG    1       -4.812   1.309   0.904  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1       -2.812   1.286   1.081  0.00  0.00    +0.246 C 
ATOM     10  O   LIG    1       -2.781   2.273   1.806  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -1.628   0.589   0.599  0.00  0.00    +0.058 A 
ATOM     12  C   LIG    1       -0.249   0.868   0.747  0.00  0.00    +0.042 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        3.956   0.755   0.190  0.00  0.00    +0.213 A 
ATOM     14  N   LIG    1        2.629   0.828   0.285  0.00  0.00    -0.213 NA
ATOM     15  C   LIG    1        1.930  -0.278  -0.036  0.00  0.00    +0.092 A 
ATOM     16  C   LIG    1        2.533  -1.443  -0.454  0.00  0.00    +0.049 A 
ATOM     17  C   LIG    1        3.904  -1.402  -0.534  0.00  0.00    +0.116 A 
ATOM     18  N   LIG    1        4.634  -0.315  -0.230  0.00  0.00    -0.223 NA
BRANCH  13  19
ATOM     19  N   LIG    1        4.681   1.886   0.501  0.00  0.00    -0.327 N 
ATOM     20  H   LIG    1        4.093   2.702   0.403  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1        5.560   1.878   0.004  0.00  0.00    +0.145 HD
ENDBRANCH  13  19
ENDBRANCH   1  15
TORSDOF 2