REMARK  Name = BDB059483
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.519   1.248  -1.180  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -1.835   0.751  -1.801  0.00  0.00    +0.269 C 
ATOM      3  N   LIG    1       -0.874   1.000  -0.832  0.00  0.00    -0.307 N 
ATOM      4  H   LIG    1       -1.094   0.606   0.081  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1       -1.624   0.952  -2.995  0.00  0.00    -0.268 OA
BRANCH   2  12
ATOM      6  C   LIG    1       -7.086   0.348   1.858  0.00  0.00    +0.105 C 
ATOM      7  N   LIG    1       -6.479  -0.972   1.694  0.00  0.00    -0.299 NA
ATOM      8  C   LIG    1       -4.997  -0.889   1.637  0.00  0.00    +0.140 C 
ATOM      9  C   LIG    1       -4.512  -0.498   0.270  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1       -5.288  -0.620  -0.865  0.00  0.00    +0.016 A 
ATOM     11  S   LIG    1       -4.433  -0.117  -2.242  0.00  0.00    -0.067 S 
ATOM     12  C   LIG    1       -3.080   0.228  -1.241  0.00  0.00    +0.163 A 
ATOM     13  C   LIG    1       -6.701  -1.090  -0.860  0.00  0.00    +0.059 C 
ATOM     14  N   LIG    1       -3.234  -0.013   0.054  0.00  0.00    -0.238 NA
ATOM     15  C   LIG    1       -7.030  -1.699   0.526  0.00  0.00    +0.089 C 
ENDBRANCH   2  12
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1        1.225   2.035  -0.067  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  O   LIG    1        0.559   3.294   0.121  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1       -0.392   3.123  -0.014  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1        2.705   2.312  -0.400  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.531   1.106  -0.593  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        3.741   0.389   0.682  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1        4.736  -0.750   0.589  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        5.668  -0.812  -0.461  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1        6.596  -1.862  -0.509  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        6.617  -2.830   0.494  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.708  -2.761   1.547  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.625   0.213  -1.564  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1        4.775  -1.725   1.597  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        4.839   1.469  -1.167  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6