REMARK  Name = BDB031253
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.529  -1.050   0.627  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        3.162   0.255   0.270  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.798   0.566   0.162  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        1.218   1.754  -0.168  0.00  0.00    -0.231 NA
ATOM      5  C   LIG    1       -0.092   1.554  -0.181  0.00  0.00    +0.121 A 
ATOM      6  N   LIG    1       -0.378   0.257   0.257  0.00  0.00    -0.296 N 
ATOM      7  C   LIG    1        0.837  -0.404   0.410  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1        1.182  -1.706   0.807  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        2.546  -2.008   0.904  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -1.632  -0.329   0.547  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -2.002  -1.511  -0.115  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -3.222  -2.041   0.229  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -4.046  -1.458   1.191  0.00  0.00    +0.067 A 
ATOM     14  N   LIG    1       -5.192  -2.236   1.300  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -5.980  -2.086   1.910  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -5.095  -3.311   0.406  0.00  0.00    +0.325 A 
ATOM     17  O   LIG    1       -5.919  -4.191   0.234  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1       -3.692  -0.315   1.868  0.00  0.00    +0.030 A 
ATOM     19  N   LIG    1       -3.864  -3.176  -0.253  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1       -3.535  -3.819  -0.954  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1       -2.456   0.255   1.540  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   1  25
ATOM     22  C   LIG    1        7.259  -1.118  -0.019  0.00  0.00    +0.128 C 
ATOM     23  N   LIG    1        5.870  -0.734   0.007  0.00  0.00    -0.314 N 
ATOM     24  H   LIG    1        5.533  -0.144  -0.742  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        4.959  -1.449   0.758  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1        5.270  -2.392   1.477  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
BRANCH   5  27
ATOM     27  C   LIG    1       -1.062   2.601  -0.737  0.00  0.00    +0.021 C 
ATOM     28  C   LIG    1       -2.259   1.999  -1.492  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1       -0.294   3.472  -1.769  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1       -1.547   3.540   0.377  0.00  0.00    +0.019 C 
ENDBRANCH   5  27
TORSDOF 3