REMARK  Name = BDB032501
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.817   0.965  -0.396  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1       -1.012   0.854  -1.726  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -0.121   0.100  -2.405  0.00  0.00    +0.115 A 
ATOM      4  C   LIG    1        0.950  -0.550  -1.814  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        1.131  -0.427  -0.433  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1        0.224   0.355   0.287  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -1.686   1.714   0.372  0.00  0.00    -0.476 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -2.769   2.306  -0.349  0.00  0.00    +0.234 C 
BRANCH   8  14
ATOM      9  C   LIG    1       -8.416  -1.967   1.828  0.00  0.00    +0.067 C 
ATOM     10  C   LIG    1       -7.512  -1.069   1.078  0.00  0.00    +0.056 A 
ATOM     11  N   LIG    1       -6.309  -0.677   1.621  0.00  0.00    -0.238 NA
ATOM     12  C   LIG    1       -5.745   0.101   0.722  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1       -4.441   0.816   0.838  0.00  0.00    +0.081 C 
ATOM     14  C   LIG    1       -3.937   1.324  -0.526  0.00  0.00    +0.035 C 
ATOM     15  C   LIG    1       -5.083   1.980  -1.314  0.00  0.00    +0.029 C 
ATOM     16  C   LIG    1       -6.209   0.978  -1.568  0.00  0.00    +0.123 C 
ATOM     17  N   LIG    1       -6.551   0.225  -0.380  0.00  0.00    -0.334 N 
ATOM     18  C   LIG    1       -7.677  -0.513  -0.173  0.00  0.00    +0.110 A 
ENDBRANCH   8  14
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   5  19
ATOM     19  C   LIG    1        2.287  -1.110   0.254  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.529  -0.485  -0.180  0.00  0.00    -0.339 N 
ATOM     21  H   LIG    1        3.452   0.530  -0.163  0.00  0.00    +0.146 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.767  -0.897   0.353  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1        5.955  -0.163   0.034  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        7.209  -0.576   0.555  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        8.355   0.197   0.237  0.00  0.00    +0.124 A 
ATOM     26  N   LIG    1        8.319   1.289  -0.544  0.00  0.00    -0.240 NA
ATOM     27  C   LIG    1        7.129   1.648  -1.051  0.00  0.00    +0.113 A 
ATOM     28  C   LIG    1        7.260  -1.740   1.352  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1        6.117  -2.486   1.613  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1        5.950   0.972  -0.798  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1        4.889  -2.075   1.106  0.00  0.00    +0.023 A 
BRANCH  25  32
ATOM     32  N   LIG    1        9.628  -0.148   0.724  0.00  0.00    -0.343 N 
ATOM     33  H   LIG    1        9.607  -0.156   1.738  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1        9.870  -1.075   0.391  0.00  0.00    +0.144 HD
ENDBRANCH  25  32
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 7