REMARK  Name = BDB044924
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.211  -0.098   1.460  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -2.338  -0.070   0.364  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -1.553  -1.200   0.053  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -1.672  -2.329   0.861  0.00  0.00    +0.047 A 
ATOM      5  N   LIG    1       -0.814  -3.279   0.359  0.00  0.00    -0.360 N 
ATOM      6  H   LIG    1       -0.689  -4.204   0.748  0.00  0.00    +0.165 HD
ATOM      7  C   LIG    1       -0.152  -2.788  -0.733  0.00  0.00    +0.087 A 
ATOM      8  C   LIG    1       -2.536  -2.384   1.960  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -0.580  -1.493  -0.958  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -3.304  -1.247   2.245  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -4.837   1.088   2.731  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -3.910   1.064   1.653  0.00  0.00    -0.495 OA
ENDBRANCH   1  12
BRANCH   9  13
ATOM     13  C   LIG    1       -0.105  -0.574  -2.042  0.00  0.00    +0.090 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.163   0.138  -1.689  0.00  0.00    +0.021 A 
ATOM     15  N   LIG    1        1.373   0.698  -0.450  0.00  0.00    -0.358 N 
ATOM     16  H   LIG    1        0.720   0.654   0.322  0.00  0.00    +0.166 HD
ATOM     17  C   LIG    1        2.608   1.301  -0.393  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        3.208   1.123  -1.639  0.00  0.00    -0.000 A 
ATOM     19  C   LIG    1        4.496   1.651  -1.852  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        5.136   2.336  -0.813  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        4.512   2.498   0.422  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.234   1.982   0.657  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1        2.292   0.392  -2.444  0.00  0.00    +0.031 A 
ENDBRANCH  13  14
ENDBRANCH   9  13
TORSDOF 3