REMARK  Name = BDB033992
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.966   1.317  -0.804  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        2.325   3.400  -0.789  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        2.235   2.034  -0.641  0.00  0.00    -0.311 N 
ATOM      4  H   LIG    1        2.950   1.554  -0.095  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1        1.387   4.093  -1.166  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1        3.789   5.444  -0.624  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1        3.696   3.941  -0.439  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1        1.212  -0.175  -1.109  0.00  0.00    +0.086 C 
BRANCH   8   9
ATOM      9  C   LIG    1        1.954  -0.894  -0.017  0.00  0.00    +0.081 A 
ATOM     10  S   LIG    1        1.597  -2.535   0.335  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1        2.795  -2.536   1.570  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1        3.403  -1.280   1.612  0.00  0.00    +0.079 A 
ATOM     13  C   LIG    1        4.428  -1.053   2.553  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        4.813  -2.079   3.423  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        4.187  -3.320   3.360  0.00  0.00    +0.042 A 
ATOM     16 CL   LIG    1        4.677  -4.570   4.439  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        3.170  -3.575   2.437  0.00  0.00    +0.037 A 
ATOM     18  N   LIG    1        2.927  -0.357   0.695  0.00  0.00    -0.244 NA
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   1  19
ATOM     19  C   LIG    1        0.027   1.555   0.403  0.00  0.00    +0.126 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -1.378   1.392   0.069  0.00  0.00    -0.314 N 
ATOM     21  H   LIG    1       -1.868   2.196  -0.306  0.00  0.00    +0.149 HD
ATOM     22  C   LIG    1       -2.044   0.196   0.211  0.00  0.00    +0.213 C 
ATOM     23  O   LIG    1       -1.504  -0.823   0.624  0.00  0.00    -0.276 OA
BRANCH  22  24
ATOM     24  C   LIG    1       -3.505   0.281  -0.192  0.00  0.00    +0.099 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.207  -1.075  -0.183  0.00  0.00    -0.002 C 
ATOM     26  C   LIG    1       -5.711  -0.955  -0.419  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -6.139  -2.366  -0.805  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -4.903  -3.028  -1.414  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -3.781  -1.998  -1.324  0.00  0.00    +0.004 C 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 8