REMARK  Name = BDB019455
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.191  -0.876  -1.586  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1        1.839  -1.071  -1.793  0.00  0.00    -0.287 N 
ATOM      3  C   LIG    1        1.152  -0.468  -2.946  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1       -0.028  -1.407  -3.190  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1       -0.397  -1.873  -1.783  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1        0.969  -2.020  -1.108  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1        3.857  -0.182  -2.355  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.628   0.958  -2.652  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        0.876   1.414  -1.375  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1        1.320   0.771  -0.734  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -0.016   1.600  -3.479  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        0.172   2.538  -0.811  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -1.065   2.048  -0.101  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1       -2.292   1.994  -0.774  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1       -3.426   1.476  -0.144  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -3.354   0.994   1.169  0.00  0.00    -0.010 A 
ATOM     17  C   LIG    1       -2.125   1.042   1.840  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1       -0.990   1.562   1.211  0.00  0.00    +0.006 A 
BRANCH  16  19
ATOM     19  C   LIG    1       -4.539   0.424   1.810  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1       -5.358  -0.625   1.412  0.00  0.00    +0.053 A 
ATOM     21  C   LIG    1       -5.203  -1.474   0.199  0.00  0.00    +0.067 C 
ATOM     22  N   LIG    1       -6.423  -0.893   2.260  0.00  0.00    -0.252 NA
ATOM     23  C   LIG    1       -6.402  -0.057   3.273  0.00  0.00    +0.156 A 
ATOM     24  S   LIG    1       -5.129   1.084   3.285  0.00  0.00    -0.075 S 
ENDBRANCH  16  19
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  25
ATOM     25  C   LIG    1        3.800  -1.464  -0.309  0.00  0.00    +0.141 C 
ATOM     26  C   LIG    1        5.298  -1.716  -0.476  0.00  0.00    +0.025 C 
BRANCH  25  31
ATOM     27  C   LIG    1        3.344   2.416   2.999  0.00  0.00    +0.069 C 
ATOM     28  C   LIG    1        3.269   1.152   2.234  0.00  0.00    +0.081 A 
ATOM     29  N   LIG    1        2.413   0.191   2.600  0.00  0.00    -0.083 NA
ATOM     30  O   LIG    1        2.595  -0.841   1.700  0.00  0.00    -0.359 OA
ATOM     31  C   LIG    1        3.534  -0.484   0.783  0.00  0.00    +0.149 A 
ATOM     32  C   LIG    1        3.997   0.775   1.085  0.00  0.00    +0.071 A 
ENDBRANCH  25  31
ENDBRANCH   1  25
BRANCH   5  33
ATOM     33  O   LIG    1       -1.108  -3.097  -1.840  0.00  0.00    -0.390 OA
ATOM     34  H   LIG    1       -1.425  -3.298  -0.942  0.00  0.00    +0.210 HD
ENDBRANCH   5  33
TORSDOF 7