REMARK  Name = BDB050039
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.147   0.812   0.003  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1       -0.866  -0.118  -0.144  0.00  0.00    -0.322 N 
ATOM      3  C   LIG    1       -0.700  -1.558  -0.172  0.00  0.00    +0.142 C 
ATOM      4  C   LIG    1       -1.849  -2.301   0.492  0.00  0.00    +0.126 C 
ATOM      5  N   LIG    1       -3.048  -2.311  -0.318  0.00  0.00    -0.310 N 
ATOM      6  H   LIG    1       -3.524  -3.195  -0.462  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -3.850  -1.243  -0.623  0.00  0.00    +0.246 C 
ATOM      8  C   LIG    1       -3.405   0.147  -0.371  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1       -4.380   1.166  -0.351  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -4.044   2.502  -0.138  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -2.711   2.870   0.050  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -1.721   1.877   0.017  0.00  0.00    +0.090 A 
ATOM     13  O   LIG    1       -4.960  -1.460  -1.103  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -2.071   0.545  -0.187  0.00  0.00    +0.081 A 
ATOM     15  N   LIG    1       -0.367   2.016   0.161  0.00  0.00    -0.228 NA
ENDROOT
BRANCH   1  20
ATOM     16  C   LIG    1        5.814  -0.326   0.183  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1        4.348  -0.012   0.117  0.00  0.00    -0.050 A 
ATOM     18  C   LIG    1        3.569  -0.486  -0.945  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        2.198  -0.214  -0.994  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        1.581   0.516   0.029  0.00  0.00    +0.017 A 
ATOM     21  C   LIG    1        2.364   0.995   1.086  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        3.734   0.723   1.136  0.00  0.00    +0.004 A 
ENDBRANCH   1  20
TORSDOF 1