REMARK  Name = BDB043109
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.044  -0.639   1.453  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1       -1.589  -0.333   1.028  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1       -1.297   0.718   0.447  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -0.656  -1.318   1.268  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -0.900  -2.540   2.018  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1        0.495  -3.060   2.358  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1        1.436  -2.465   1.312  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1        1.839  -3.454   0.219  0.00  0.00    +0.021 C 
ATOM      9  C   LIG    1        2.691  -2.725  -0.822  0.00  0.00    +0.085 C 
ATOM     10  N   LIG    1        2.002  -1.593  -1.437  0.00  0.00    -0.300 NA
ATOM     11  C   LIG    1        0.753  -1.177  -0.797  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1       -1.744  -3.529   1.209  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1       -3.237  -3.184   1.213  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        0.714  -1.228   0.753  0.00  0.00    +0.094 C 
ATOM     15  C   LIG    1       -3.597  -1.812   0.638  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1       -3.960   1.528   2.166  0.00  0.00    +0.230 C 
ATOM     17  N   LIG    1       -3.816   0.572   1.178  0.00  0.00    -0.303 N 
ATOM     18  H   LIG    1       -3.654   0.968   0.260  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -3.787   1.287   3.358  0.00  0.00    -0.274 OA
BRANCH  16  20
ATOM     20  C   LIG    1       -4.393   2.921   1.657  0.00  0.00    +0.137 C 
ATOM     21  C   LIG    1       -5.894   2.926   1.380  0.00  0.00    +0.034 C 
BRANCH  20  23
ATOM     22  C   LIG    1       -4.054   3.353  -0.790  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1       -3.512   3.367   0.553  0.00  0.00    -0.309 NA
ATOM     24  H   LIG    1       -2.604   2.896   0.604  0.00  0.00    +0.122 HD
ENDBRANCH  20  23
ENDBRANCH  16  20
ENDBRANCH   1  17
BRANCH  10  25
ATOM     25  C   LIG    1        2.887  -0.501  -1.855  0.00  0.00    +0.089 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.405   0.413  -0.731  0.00  0.00    +0.050 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.367   1.452  -1.256  0.00  0.00    -0.046 A 
ATOM     28  C   LIG    1        3.898   2.704  -1.679  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        4.783   3.661  -2.181  0.00  0.00    +0.045 A 
ATOM     30  C   LIG    1        6.139   3.361  -2.264  0.00  0.00    +0.117 A 
ATOM     31  C   LIG    1        6.620   2.123  -1.855  0.00  0.00    +0.045 A 
ATOM     32  C   LIG    1        5.736   1.168  -1.353  0.00  0.00    +0.007 A 
BRANCH  30  33
ATOM     33  O   LIG    1        7.038   4.264  -2.748  0.00  0.00    -0.507 OA
ATOM     34  H   LIG    1        6.561   5.077  -2.983  0.00  0.00    +0.292 HD
ENDBRANCH  30  33
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 7