REMARK  Name = BDB004398
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.314  -0.688   0.008  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   1   4
ATOM      2  N   LIG    1       -2.027  -0.848   0.536  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1       -2.061   0.155   0.379  0.00  0.00    +0.149 HD
ATOM      4  C   LIG    1       -0.860  -1.553   0.411  0.00  0.00    +0.214 C 
ATOM      5  O   LIG    1       -0.781  -2.763   0.589  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1       -3.921  -2.158  -0.313  0.00  0.00    +0.034 C 
ATOM      7  C   LIG    1       -3.296  -1.464   0.896  0.00  0.00    +0.119 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -4.246  -0.406   1.443  0.00  0.00    +0.061 A 
ATOM      9  N   LIG    1       -4.088   0.872   0.991  0.00  0.00    -0.258 NA
ATOM     10  C   LIG    1       -4.941   1.806   1.466  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1       -5.951   1.537   2.373  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -6.102   0.230   2.822  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -5.241  -0.758   2.353  0.00  0.00    +0.025 A 
ENDBRANCH   7   8
ENDBRANCH   2   7
ENDBRANCH   1   4
BRANCH   1  14
ATOM     14  C   LIG    1        1.620  -1.473   0.011  0.00  0.00    +0.083 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.721  -0.625  -0.568  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1        2.893  -0.710  -1.924  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1        2.335  -1.340  -2.482  0.00  0.00    +0.170 HD
ATOM     18  C   LIG    1        3.841   0.008  -2.607  0.00  0.00    +0.259 A 
ATOM     19  O   LIG    1        3.985  -0.094  -3.820  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1        4.670   0.906  -1.787  0.00  0.00    +0.065 A 
ATOM     21  C   LIG    1        4.418   0.938  -0.413  0.00  0.00    +0.078 A 
ATOM     22  C   LIG    1        5.191   1.782   0.387  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        6.194   2.576  -0.177  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        6.434   2.533  -1.552  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.671   1.695  -2.364  0.00  0.00    +0.015 A 
ATOM     26  N   LIG    1        3.418   0.156   0.191  0.00  0.00    -0.234 NA
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 5