REMARK  Name = BDB057224
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.771  -2.011  -0.716  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1       -0.316  -1.272  -0.215  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -1.487  -1.103  -0.967  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1       -1.551  -1.682  -2.241  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -0.477  -2.413  -2.753  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.681  -2.575  -1.995  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.627  -0.343  -0.469  0.00  0.00    +0.089 A 
ATOM      8  N   LIG    1       -3.726  -0.026  -1.266  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1       -4.520   0.638  -0.470  0.00  0.00    +0.110 A 
ATOM     10  C   LIG    1       -5.844   1.280  -0.557  0.00  0.00    +0.076 C 
ATOM     11  C   LIG    1       -6.189   1.478   0.942  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1       -4.844   1.478   1.693  0.00  0.00    +0.123 C 
ATOM     13  N   LIG    1       -3.988   0.764   0.772  0.00  0.00    -0.334 N 
ATOM     14  C   LIG    1       -2.792   0.151   0.820  0.00  0.00    +0.115 A 
ENDBRANCH   3   7
BRANCH   1  15
ATOM     15  C   LIG    1        2.032  -2.142   0.094  0.00  0.00    +0.139 C 
BRANCH  15  18
ATOM     16  O   LIG    1        4.256  -1.542   1.668  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1        3.932  -0.760   0.781  0.00  0.00    +0.244 C 
ATOM     18  N   LIG    1        2.831  -0.945  -0.024  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1        2.757  -0.430  -0.891  0.00  0.00    +0.149 HD
BRANCH  17  20
ATOM     20  C   LIG    1        4.761   0.443   0.507  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1        4.234   1.587  -0.094  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        5.085   2.658  -0.301  0.00  0.00    +0.111 A 
ATOM     23  N   LIG    1        6.389   2.659   0.046  0.00  0.00    -0.263 NA
ATOM     24  C   LIG    1        6.868   1.546   0.641  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1        6.101   0.424   0.894  0.00  0.00    +0.033 A 
ENDBRANCH  17  20
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 4