REMARK  Name = BDB032943
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.118  -0.428  -0.058  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -0.844  -1.045  -0.064  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1       -0.721  -2.411  -0.376  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -1.845  -3.156  -0.728  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -3.094  -2.545  -0.763  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -3.230  -1.194  -0.426  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -3.064   3.102   0.912  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -3.355   1.727   0.363  0.00  0.00    +0.214 C 
ATOM      9  N   LIG    1       -2.229   0.930   0.330  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1       -1.364   1.341   0.689  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1       -4.489   1.415   0.018  0.00  0.00    -0.276 OA
ENDBRANCH   1   9
BRANCH   2  12
ATOM     12  C   LIG    1        0.384  -0.255   0.268  0.00  0.00    +0.250 C 
ATOM     13  N   LIG    1        1.519  -0.600  -0.446  0.00  0.00    -0.281 N 
ATOM     14  H   LIG    1        1.402  -1.256  -1.209  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1        0.291   0.660   1.081  0.00  0.00    -0.270 OA
BRANCH  13  16
ATOM     16  C   LIG    1        2.814  -0.054  -0.304  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        3.171   0.853   0.689  0.00  0.00    +0.043 A 
ATOM     18  C   LIG    1        4.480   1.309   0.727  0.00  0.00    +0.112 A 
ATOM     19  N   LIG    1        5.439   0.925  -0.142  0.00  0.00    -0.263 NA
ATOM     20  C   LIG    1        5.071   0.043  -1.091  0.00  0.00    +0.112 A 
ATOM     21  C   LIG    1        3.790  -0.471  -1.211  0.00  0.00    +0.043 A 
ENDBRANCH  13  16
ENDBRANCH   2  12
TORSDOF 3