REMARK  Name = BDB031217
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.769   1.334   0.103  0.00  0.00    -0.313 N 
ATOM      2  H   LIG    1       -0.811   2.002   0.870  0.00  0.00    +0.152 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.916   0.499   0.088  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1       -3.052   0.879   0.824  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -4.162   0.071   0.732  0.00  0.00    +0.069 A 
ATOM      6  C   LIG    1       -4.193  -1.066  -0.071  0.00  0.00    +0.067 A 
ATOM      7  N   LIG    1       -5.449  -1.648   0.056  0.00  0.00    -0.306 N 
ATOM      8  H   LIG    1       -5.788  -2.477  -0.403  0.00  0.00    +0.170 HD
ATOM      9  C   LIG    1       -6.216  -0.875   0.940  0.00  0.00    +0.325 A 
ATOM     10  O   LIG    1       -7.365  -1.087   1.282  0.00  0.00    -0.247 OA
ATOM     11  C   LIG    1       -3.118  -1.451  -0.832  0.00  0.00    +0.029 A 
ATOM     12  N   LIG    1       -5.402   0.190   1.352  0.00  0.00    -0.306 N 
ATOM     13  H   LIG    1       -5.703   0.908   1.990  0.00  0.00    +0.170 HD
ATOM     14  C   LIG    1       -1.975  -0.645  -0.754  0.00  0.00    +0.025 A 
ENDBRANCH   1   3
BRANCH   1  18
ATOM     15  C   LIG    1        3.311   0.218  -0.141  0.00  0.00    +0.061 A 
ATOM     16  C   LIG    1        2.862   1.415  -0.716  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1        1.518   1.790  -0.628  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        0.586   0.912  -0.030  0.00  0.00    +0.052 A 
ATOM     19  C   LIG    1        1.046  -0.268   0.571  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1        2.397  -0.618   0.511  0.00  0.00    +0.017 A 
BRANCH  17  21
ATOM     21  N   LIG    1        1.073   2.931  -1.318  0.00  0.00    -0.357 N 
ATOM     22  H   LIG    1        0.126   3.201  -1.068  0.00  0.00    +0.142 HD
ATOM     23  H   LIG    1        1.736   3.697  -1.362  0.00  0.00    +0.142 HD
ENDBRANCH  17  21
BRANCH  15  24
ATOM     24  C   LIG    1        4.758  -0.111  -0.249  0.00  0.00    +0.339 C 
ATOM     25  O   LIG    1        5.583   0.632  -0.757  0.00  0.00    -0.245 OA
BRANCH  24  27
ATOM     26  C   LIG    1        6.386  -1.720   0.214  0.00  0.00    +0.280 C 
ATOM     27  O   LIG    1        5.014  -1.331   0.287  0.00  0.00    -0.464 OA
ENDBRANCH  24  27
ENDBRANCH  15  24
ENDBRANCH   1  18
TORSDOF 5