REMARK  Name = BDB019809
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.158  -2.853   2.402  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -0.375  -2.382   1.402  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        0.288  -1.533   0.534  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -0.217  -0.975  -0.151  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.782  -2.706   1.063  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -2.647  -1.748   0.514  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -3.979  -2.076   0.203  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1       -4.418  -3.386   0.468  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -3.563  -4.337   1.032  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.246  -3.997   1.333  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -4.888  -1.073  -0.375  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.649  -1.336  -1.517  0.00  0.00    +0.119 A 
ATOM     13  N   LIG    1       -6.497  -0.456  -2.106  0.00  0.00    -0.263 NA
ATOM     14  C   LIG    1       -6.597   0.761  -1.533  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1       -5.893   1.136  -0.403  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -5.033   0.207   0.181  0.00  0.00    +0.011 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1        1.556  -0.870   1.092  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        1.831  -1.325   1.978  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        1.364   0.807   1.393  0.00  0.00    +0.074 S 
ATOM     20  O   LIG    1        0.266   1.269   0.566  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        1.367   0.975   2.828  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        2.871   1.456   0.729  0.00  0.00    +0.107 A 
ATOM     23  C   LIG    1        3.078   1.405  -0.654  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        4.260   1.919  -1.208  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1        5.232   2.497  -0.355  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1        6.414   3.010  -0.914  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        6.638   2.946  -2.291  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        5.683   2.374  -3.127  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        4.999   2.542   1.031  0.00  0.00    +0.010 A 
ATOM     30  C   LIG    1        4.499   1.868  -2.591  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1        3.822   2.024   1.575  0.00  0.00    +0.029 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5