REMARK  Name = BDB050063
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.449  -0.320   0.269  0.00  0.00    +0.233 A 
ATOM      2  N   LIG    1       -2.188  -0.116   0.079  0.00  0.00    -0.127 NA
ATOM      3  N   LIG    1       -1.416  -0.677   1.066  0.00  0.00    -0.208 N 
ATOM      4  C   LIG    1       -1.877  -1.399   2.161  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1       -0.892  -1.830   2.914  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        0.244  -1.387   2.288  0.00  0.00    +0.143 A 
ATOM      7  C   LIG    1       -3.274  -1.567   2.300  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1       -0.036  -0.646   1.150  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1       -4.093  -1.046   1.379  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        0.889  -0.008   0.221  0.00  0.00    +0.095 A 
ATOM     11  N   LIG    1        2.144  -0.489   0.306  0.00  0.00    -0.219 NA
ATOM     12  C   LIG    1        3.044   0.075  -0.507  0.00  0.00    +0.207 A 
ATOM     13  N   LIG    1        2.825   1.044  -1.409  0.00  0.00    -0.229 NA
ATOM     14  C   LIG    1        1.560   1.497  -1.448  0.00  0.00    +0.116 A 
ATOM     15  C   LIG    1        0.549   1.009  -0.648  0.00  0.00    +0.050 A 
BRANCH  12  16
ATOM     16  S   LIG    1        4.695  -0.591  -0.453  0.00  0.00    +0.022 S 
ATOM     17  O   LIG    1        4.957  -1.274   1.042  0.00  0.00    -0.154 OA
ATOM     18  C   LIG    1        5.598   0.972  -0.499  0.00  0.00    +0.115 C 
ENDBRANCH  12  16
ENDBRANCH   8  10
BRANCH   1  20
ATOM     19  C   LIG    1       -3.965   0.843  -1.726  0.00  0.00    +0.279 C 
ATOM     20  O   LIG    1       -4.413   0.131  -0.568  0.00  0.00    -0.479 OA
ENDBRANCH   1  20
TORSDOF 3