REMARK  Name = BDB063936
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.763   0.024  -0.756  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1        0.289   1.207  -1.195  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -0.640   1.397  -1.518  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        1.317   2.086  -1.290  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        1.301   3.237  -1.675  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        2.472   1.272  -0.820  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        3.703   1.787  -0.712  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        2.042  -0.006  -0.531  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.910   1.085  -0.246  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.157  -0.261  -0.558  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.348  -0.857  -0.106  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        7.297  -0.146   0.631  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        8.421  -0.865   1.007  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        8.321  -2.095   0.559  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        7.047   1.208   0.923  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        6.906  -2.474  -0.326  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        5.862   1.809   0.478  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -0.044  -1.064  -0.622  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1        0.585  -1.869  -0.602  0.00  0.00    +0.149 HD
BRANCH  18  21
ATOM     20  C   LIG    1       -0.316  -0.850   1.834  0.00  0.00    +0.028 C 
ATOM     21  C   LIG    1       -0.978  -1.243   0.510  0.00  0.00    +0.076 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.409  -0.650   0.275  0.00  0.00    -0.010 C 
ATOM     23  C   LIG    1       -3.433  -1.463   1.136  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1       -4.873  -0.964   0.924  0.00  0.00    -0.010 C 
ATOM     25  C   LIG    1       -5.248  -1.111  -0.557  0.00  0.00    +0.007 C 
ATOM     26  C   LIG    1       -4.284  -0.288  -1.423  0.00  0.00    -0.010 C 
ATOM     27  C   LIG    1       -4.359   1.190  -1.012  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -3.991   1.344   0.471  0.00  0.00    -0.010 C 
ATOM     29  C   LIG    1       -4.962   0.515   1.326  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1       -2.849  -0.798  -1.209  0.00  0.00    +0.012 C 
ATOM     31  C   LIG    1       -2.556   0.836   0.702  0.00  0.00    +0.012 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4