REMARK  Name = BDB043736
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.856  -2.264  -1.007  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1       -1.397  -1.086  -0.516  0.00  0.00    +0.086 A 
ATOM      3  N   LIG    1       -0.300  -0.315  -0.134  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        0.848  -1.029  -0.467  0.00  0.00    +0.119 A 
ATOM      5  N   LIG    1        0.526  -2.214  -0.956  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -2.797  -0.705  -0.324  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -3.341  -0.630   0.966  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1       -4.673  -0.251   1.140  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1       -5.318  -0.145   2.733  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -5.464   0.045   0.032  0.00  0.00    +0.142 A 
ATOM     11  F   LIG    1       -6.744   0.415   0.182  0.00  0.00    -0.204 F 
ATOM     12  C   LIG    1       -4.938  -0.036  -1.253  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1       -3.605  -0.412  -1.431  0.00  0.00    +0.013 A 
ENDBRANCH   2   6
BRANCH   3  14
ATOM     14  C   LIG    1       -0.385   0.943   0.498  0.00  0.00    +0.085 A 
ATOM     15  C   LIG    1       -0.978   2.014  -0.174  0.00  0.00    +0.165 A 
ATOM     16  F   LIG    1       -1.378   1.871  -1.448  0.00  0.00    -0.202 F 
ATOM     17  C   LIG    1       -1.107   3.245   0.464  0.00  0.00    +0.078 A 
ATOM     18 CL   LIG    1       -1.818   4.584  -0.351  0.00  0.00    -0.081 Cl
ATOM     19  C   LIG    1       -0.653   3.404   1.775  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1       -0.071   2.327   2.450  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        0.062   1.090   1.815  0.00  0.00    +0.029 A 
ENDBRANCH   3  14
BRANCH   4  22
ATOM     22  C   LIG    1        2.285  -0.559  -0.427  0.00  0.00    +0.056 C 
ATOM     23  C   LIG    1        2.963  -0.809   0.924  0.00  0.00    +0.011 C 
ATOM     24  C   LIG    1        4.454  -0.473   0.863  0.00  0.00    +0.001 C 
ATOM     25  C   LIG    1        4.696   0.945   0.352  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1        4.018   1.185  -0.995  0.00  0.00    +0.001 C 
ATOM     27  C   LIG    1        2.523   0.868  -0.934  0.00  0.00    +0.011 C 
ENDBRANCH   4  22
BRANCH   1  31
ATOM     28  N   LIG    1       -0.727  -4.441  -1.917  0.00  0.00    -0.324 N 
ATOM     29  H   LIG    1        0.275  -4.302  -1.850  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1       -1.113  -5.299  -2.277  0.00  0.00    +0.145 HD
ATOM     31  C   LIG    1       -1.565  -3.443  -1.506  0.00  0.00    +0.262 C 
ATOM     32  O   LIG    1       -2.782  -3.565  -1.566  0.00  0.00    -0.269 OA
ENDBRANCH   1  31
TORSDOF 4