REMARK  Name = BDB031578
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.056  -0.765   1.739  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -0.740  -0.035   0.679  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -0.138   0.942  -0.121  0.00  0.00    +0.249 C 
ATOM      4  O   LIG    1       -0.778   1.595  -0.942  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.290   1.171   0.046  0.00  0.00    +0.062 A 
ATOM      6  C   LIG    1        2.372   0.268  -0.215  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        3.558   0.943   0.081  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        4.819   0.349  -0.046  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        4.870  -0.972  -0.500  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        3.707  -1.667  -0.821  0.00  0.00    +0.001 A 
ATOM     11  N   LIG    1        3.213   2.217   0.470  0.00  0.00    -0.360 N 
ATOM     12  H   LIG    1        3.876   2.938   0.719  0.00  0.00    +0.165 HD
ATOM     13  C   LIG    1        2.454  -1.059  -0.687  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        1.854   2.372   0.435  0.00  0.00    +0.096 A 
ENDBRANCH   3   5
BRANCH   2  15
ATOM     15  C   LIG    1       -2.110  -0.456   0.361  0.00  0.00    +0.163 C 
ATOM     16  C   LIG    1       -2.187  -1.099  -1.034  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -1.273  -1.761  -1.525  0.00  0.00    -0.273 OA
ATOM     18  N   LIG    1       -3.399  -0.999  -1.678  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1       -3.451  -1.437  -2.587  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1       -4.578  -0.507  -1.179  0.00  0.00    +0.219 C 
ATOM     21  O   LIG    1       -5.628  -0.622  -1.806  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1       -4.535   0.083   0.212  0.00  0.00    +0.098 C 
ATOM     23  C   LIG    1       -3.160   0.642   0.537  0.00  0.00    +0.041 C 
ENDBRANCH   2  15
TORSDOF 2