REMARK  Name = BDB030043
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.563  -1.270  -0.524  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1       -0.464  -1.531   0.461  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1       -1.740  -0.721  -1.000  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1       -1.769  -0.090  -2.056  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.973  -0.907  -0.190  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -2.970  -1.558   1.043  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1       -1.827  -2.046   1.551  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1       -4.155  -1.706   1.763  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1       -4.153  -2.515   3.285  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -5.358  -1.205   1.263  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -5.386  -0.545   0.028  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.186  -0.404  -0.689  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -6.618  -0.009  -0.531  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1       -6.696   0.507  -1.806  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1       -7.941   0.894  -1.959  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1       -8.674   0.650  -0.836  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1      -10.071   0.957  -0.664  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1       -7.848   0.073   0.089  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1        0.723  -0.762  -1.188  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        0.481  -0.172  -2.003  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        1.728   0.132  -0.128  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        1.492   1.528  -0.418  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        1.526  -0.422   1.194  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.338  -0.341  -0.753  0.00  0.00    +0.190 C 
BRANCH  24  28
ATOM     25  C   LIG    1        7.958  -0.455   0.020  0.00  0.00    +0.007 C 
ATOM     26  C   LIG    1        7.066   0.741  -0.327  0.00  0.00    -0.014 C 
ATOM     27  C   LIG    1        5.758   0.283  -1.002  0.00  0.00    +0.008 C 
ATOM     28  C   LIG    1        4.490   0.471  -0.142  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1        4.780   0.088   1.313  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1        5.897   0.932   1.931  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1        6.798   1.612   0.902  0.00  0.00    +0.003 C 
ENDBRANCH  24  28
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 6