REMARK  Name = BDB001771
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.306   1.098  -0.554  0.00  0.00    -0.310 N 
ATOM      2  H   LIG    1        0.841   0.334  -0.968  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        0.793   1.725   0.565  0.00  0.00    +0.225 C 
ATOM      4  O   LIG    1        0.232   2.675   1.109  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -0.936   1.471  -1.187  0.00  0.00    +0.139 C 
BRANCH   5  10
ATOM      6  C   LIG    1       -5.107  -2.303   0.319  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -4.054  -1.316  -0.087  0.00  0.00    -0.050 A 
ATOM      8  C   LIG    1       -3.286  -1.530  -1.238  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -2.284  -0.626  -1.600  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -2.030   0.506  -0.816  0.00  0.00    -0.030 A 
ATOM     11  C   LIG    1       -2.781   0.704   0.350  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -3.783  -0.199   0.712  0.00  0.00    +0.003 A 
ENDBRANCH   5  10
ENDBRANCH   1   5
BRANCH   3  13
ATOM     13  C   LIG    1        2.046   1.116   1.153  0.00  0.00    +0.186 C 
BRANCH  13  14
ATOM     14  S   LIG    1        3.363   0.943  -0.086  0.00  0.00    -0.024 S 
ATOM     15  O   LIG    1        2.850  -0.216  -1.166  0.00  0.00    -0.161 OA
BRANCH  14  16
ATOM     16  C   LIG    1        4.555   0.162   1.037  0.00  0.00    +0.210 C 
BRANCH  16  17
ATOM     17  C   LIG    1        5.911   0.061   0.403  0.00  0.00    +0.316 C 
ATOM     18  O   LIG    1        6.403   0.807  -0.427  0.00  0.00    -0.250 OA
BRANCH  17  19
ATOM     19  O   LIG    1        6.641  -0.949   0.921  0.00  0.00    -0.480 OA
ATOM     20  H   LIG    1        7.491  -0.907   0.432  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   3  13
TORSDOF 7