REMARK  Name = BDB032500
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.707   1.826   0.421  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1       -0.514   2.985  -0.243  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1        0.742   3.478  -0.241  0.00  0.00    +0.115 A 
ATOM      4  C   LIG    1        1.810   2.869   0.398  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        1.588   1.671   1.084  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1        0.295   1.141   1.090  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -1.965   1.257   0.465  0.00  0.00    -0.476 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -2.937   1.978  -0.295  0.00  0.00    +0.234 C 
BRANCH   8  14
ATOM      9  C   LIG    1       -7.791  -3.497  -1.464  0.00  0.00    +0.067 C 
ATOM     10  C   LIG    1       -7.139  -2.187  -1.252  0.00  0.00    +0.056 A 
ATOM     11  N   LIG    1       -5.773  -2.097  -1.105  0.00  0.00    -0.238 NA
ATOM     12  C   LIG    1       -5.514  -0.819  -0.927  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1       -4.174  -0.185  -0.757  0.00  0.00    +0.081 C 
ATOM     14  C   LIG    1       -4.280   1.244  -0.192  0.00  0.00    +0.035 C 
ATOM     15  C   LIG    1       -5.387   2.027  -0.919  0.00  0.00    +0.029 C 
ATOM     16  C   LIG    1       -6.744   1.344  -0.744  0.00  0.00    +0.123 C 
ATOM     17  N   LIG    1       -6.671  -0.085  -0.956  0.00  0.00    -0.334 N 
ATOM     18  C   LIG    1       -7.714  -0.937  -1.158  0.00  0.00    +0.110 A 
ENDBRANCH   8  14
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   5  19
ATOM     19  C   LIG    1        2.722   0.967   1.787  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.680   0.506   0.792  0.00  0.00    -0.339 N 
ATOM     21  H   LIG    1        3.209   0.051   0.013  0.00  0.00    +0.146 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.821  -0.228   1.175  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1        5.665  -0.801   0.170  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        6.824  -1.530   0.544  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        7.616  -2.105  -0.483  0.00  0.00    +0.124 A 
ATOM     26  N   LIG    1        7.336  -1.981  -1.791  0.00  0.00    -0.240 NA
ATOM     27  C   LIG    1        6.251  -1.265  -2.127  0.00  0.00    +0.113 A 
ATOM     28  C   LIG    1        7.141  -1.641   1.915  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1        6.355  -1.035   2.888  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1        5.407  -0.670  -1.208  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1        5.217  -0.326   2.518  0.00  0.00    +0.023 A 
BRANCH  25  32
ATOM     32  N   LIG    1        8.772  -2.847  -0.187  0.00  0.00    -0.343 N 
ATOM     33  H   LIG    1        9.427  -2.256   0.313  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1        8.522  -3.634   0.402  0.00  0.00    +0.144 HD
ENDBRANCH  25  32
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 7