REMARK  Name = BDB057238
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.117  -0.406  -2.837  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.785  -1.187  -1.917  0.00  0.00    -0.030 A 
ATOM      3  C   LIG    1        1.860  -0.558  -1.269  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        2.694  -1.262  -0.386  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        2.428  -2.618  -0.155  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        1.355  -3.252  -0.786  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        0.535  -2.539  -1.659  0.00  0.00    +0.005 A 
BRANCH   4   8
ATOM      8  C   LIG    1        3.798  -0.563   0.260  0.00  0.00    +0.089 A 
ATOM      9  N   LIG    1        4.015   0.806   0.105  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        5.078   1.047   0.824  0.00  0.00    +0.110 A 
ATOM     11  C   LIG    1        5.905   2.218   1.169  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1        6.724   1.675   2.369  0.00  0.00    +0.029 C 
ATOM     13  C   LIG    1        6.720   0.140   2.228  0.00  0.00    +0.123 C 
ATOM     14  N   LIG    1        5.546  -0.083   1.414  0.00  0.00    -0.334 N 
ATOM     15  C   LIG    1        4.762  -1.125   1.089  0.00  0.00    +0.115 A 
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  17
ATOM     16  C   LIG    1       -2.477  -0.568  -2.149  0.00  0.00    +0.244 C 
ATOM     17  N   LIG    1       -1.268   0.094  -2.120  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1       -1.079   0.732  -1.359  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -2.696  -1.554  -2.845  0.00  0.00    -0.270 OA
BRANCH  16  22
ATOM     20  C   LIG    1       -4.587   1.748   0.011  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1       -3.582   1.296  -0.848  0.00  0.00    +0.058 A 
ATOM     22  C   LIG    1       -3.537  -0.046  -1.242  0.00  0.00    +0.040 A 
ATOM     23  C   LIG    1       -4.524  -0.932  -0.795  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1       -5.545  -0.487   0.054  0.00  0.00    -0.046 A 
ATOM     25  C   LIG    1       -6.578  -1.450   0.563  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -5.559   0.854   0.467  0.00  0.00    +0.049 A 
BRANCH  20  28
ATOM     27  C   LIG    1       -5.515   3.600   1.181  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -4.507   3.077   0.325  0.00  0.00    -0.495 OA
ENDBRANCH  20  28
ENDBRANCH  16  22
ENDBRANCH   1  17
TORSDOF 5