REMARK  Name = BDB043731
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.174   1.377  -0.328  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1       -1.268   0.006  -0.501  0.00  0.00    +0.086 A 
ATOM      3  N   LIG    1       -0.036  -0.488  -0.065  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        0.731   0.611   0.313  0.00  0.00    +0.119 A 
ATOM      5  N   LIG    1        0.051   1.732   0.175  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -2.411  -0.812  -0.910  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -3.052  -1.648   0.016  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1       -4.136  -2.432  -0.383  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1       -4.896  -3.465   0.767  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -4.588  -2.378  -1.698  0.00  0.00    +0.142 A 
ATOM     11  F   LIG    1       -5.627  -3.127  -2.098  0.00  0.00    -0.204 F 
ATOM     12  C   LIG    1       -3.969  -1.544  -2.624  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1       -2.882  -0.761  -2.230  0.00  0.00    +0.013 A 
ENDBRANCH   2   6
BRANCH   3  14
ATOM     14  C   LIG    1        0.340  -1.852   0.013  0.00  0.00    +0.085 A 
ATOM     15  C   LIG    1        0.201  -2.685  -1.099  0.00  0.00    +0.165 A 
ATOM     16  F   LIG    1       -0.186  -2.179  -2.280  0.00  0.00    -0.202 F 
ATOM     17  C   LIG    1        0.534  -4.035  -1.005  0.00  0.00    +0.078 A 
ATOM     18 CL   LIG    1        0.378  -5.073  -2.369  0.00  0.00    -0.081 Cl
ATOM     19  C   LIG    1        1.008  -4.557   0.200  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1        1.155  -3.724   1.311  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        0.823  -2.371   1.222  0.00  0.00    +0.029 A 
ENDBRANCH   3  14
BRANCH   4  22
ATOM     22  C   LIG    1        2.186   0.565   0.711  0.00  0.00    +0.056 C 
ATOM     23  C   LIG    1        2.366   1.001   2.179  0.00  0.00    +0.011 C 
ATOM     24  C   LIG    1        3.733   1.629   2.470  0.00  0.00    +0.001 C 
ATOM     25  C   LIG    1        4.820   1.069   1.563  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1        4.523   1.337   0.087  0.00  0.00    +0.001 C 
ATOM     27  C   LIG    1        3.028   1.443  -0.226  0.00  0.00    +0.011 C 
ENDBRANCH   4  22
BRANCH   1  30
ATOM     28  C   LIG    1       -3.329   4.283  -0.791  0.00  0.00    +0.305 A 
ATOM     29  O   LIG    1       -2.126   3.785  -0.406  0.00  0.00    -0.403 OA
ATOM     30  C   LIG    1       -2.294   2.436  -0.613  0.00  0.00    +0.270 A 
ATOM     31  N   LIG    1       -3.503   2.158  -1.069  0.00  0.00    -0.104 NA
ATOM     32  N   LIG    1       -4.172   3.359  -1.183  0.00  0.00    -0.092 NA
BRANCH  28  33
ATOM     33  N   LIG    1       -3.486   5.607  -0.695  0.00  0.00    -0.312 N 
ATOM     34  H   LIG    1       -2.862   6.088  -0.058  0.00  0.00    +0.147 HD
ATOM     35  H   LIG    1       -4.444   5.934  -0.656  0.00  0.00    +0.147 HD
ENDBRANCH  28  33
ENDBRANCH   1  30
TORSDOF 5