REMARK  Name = BDB063983
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.458  -4.382   0.758  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.181  -3.223   0.524  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1       -1.084  -2.047   0.403  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.407  -2.150   0.587  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -0.337  -0.929   0.103  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.890  -1.354   0.053  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1        1.040  -2.675   0.299  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1        1.884  -3.213   0.258  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -3.396  -1.062   0.507  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -3.269   0.003  -0.399  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -4.274   0.986  -0.439  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -5.400   0.928   0.384  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1       -6.306   1.966   0.232  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1       -5.868   2.792  -0.690  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1       -5.526  -0.153   1.277  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1       -4.376   2.395  -1.429  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1       -4.529  -1.137   1.325  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1        1.949  -0.560  -0.229  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1        1.709   0.433  -0.270  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.287  -0.751   0.297  0.00  0.00    +0.159 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.125   0.499   0.093  0.00  0.00    +0.058 A 
ATOM     22  N   LIG    1        3.466   1.682  -0.050  0.00  0.00    -0.258 NA
ATOM     23  C   LIG    1        4.214   2.797  -0.201  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1        5.598   2.799  -0.207  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        6.258   1.586  -0.046  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        5.516   0.418   0.111  0.00  0.00    +0.025 A 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4