REMARK  Name = BDB050040
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.968  -1.213   1.167  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -0.085  -0.663   0.429  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1       -0.964  -1.504  -0.262  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1       -0.748  -2.890  -0.225  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1        0.298  -3.435   0.527  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.151  -2.596   1.238  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.082  -0.970  -1.042  0.00  0.00    +0.142 A 
ATOM      8  N   LIG    1       -3.017  -0.052  -0.600  0.00  0.00    -0.322 N 
ATOM      9  C   LIG    1       -3.139   0.456   0.753  0.00  0.00    +0.142 C 
ATOM     10  C   LIG    1       -4.581   0.701   1.170  0.00  0.00    +0.126 C 
ATOM     11  N   LIG    1       -5.147   1.881   0.554  0.00  0.00    -0.310 N 
ATOM     12  H   LIG    1       -5.626   2.550   1.148  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1       -5.447   2.063  -0.770  0.00  0.00    +0.246 C 
ATOM     14  C   LIG    1       -4.948   1.129  -1.805  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1       -5.572   1.141  -3.069  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1       -5.153   0.307  -4.105  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1       -4.080  -0.564  -3.915  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1       -3.431  -0.583  -2.671  0.00  0.00    +0.090 A 
ATOM     19  O   LIG    1       -6.151   3.019  -1.088  0.00  0.00    -0.270 OA
ATOM     20  C   LIG    1       -3.866   0.248  -1.641  0.00  0.00    +0.081 A 
ATOM     21  N   LIG    1       -2.360  -1.338  -2.278  0.00  0.00    -0.228 NA
ENDBRANCH   3   7
BRANCH   1  27
ATOM     22  C   LIG    1        6.977   1.226   0.342  0.00  0.00    +0.105 C 
ATOM     23  N   LIG    1        5.537   1.042   0.187  0.00  0.00    -0.302 NA
ATOM     24  C   LIG    1        4.773   1.734   1.248  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1        4.012   0.813   2.221  0.00  0.00    +0.123 C 
ATOM     26  N   LIG    1        3.154  -0.139   1.512  0.00  0.00    -0.295 N 
ATOM     27  C   LIG    1        1.841  -0.303   1.931  0.00  0.00    +0.247 C 
ATOM     28  O   LIG    1        1.339   0.276   2.890  0.00  0.00    -0.270 OA
ATOM     29  C   LIG    1        3.688  -0.657   0.245  0.00  0.00    +0.123 C 
ATOM     30  C   LIG    1        5.196  -0.389   0.087  0.00  0.00    +0.103 C 
ENDBRANCH   1  27
TORSDOF 2