REMARK  Name = BDB032820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.038  -2.734  -0.020  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1       -0.708  -1.722   0.602  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -1.809  -1.229  -0.073  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -2.761  -0.193   0.342  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -3.635  -0.001  -0.719  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -3.427  -0.981  -1.776  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -2.763   0.352   1.428  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.195  -1.692  -1.329  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -1.467  -2.684  -1.960  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -0.344  -3.200  -1.300  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.865   0.778  -0.639  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -5.950   0.027   0.148  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -6.053  -1.199   0.161  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.906   0.809   0.755  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -7.639   0.312   1.241  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.057   2.171   0.672  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -8.050   2.726   1.133  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -5.995   2.926  -0.094  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -4.668   2.185  -0.074  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        1.261  -3.300   0.657  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.438  -2.774   0.032  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1        4.081  -1.312  -0.092  0.00  0.00    -0.248 N 
ATOM     23  H   LIG    1        4.245  -1.871  -0.921  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1        3.000  -1.700   0.645  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1        2.585  -1.197   1.676  0.00  0.00    -0.226 OA
BRANCH  22  31
ATOM     26  C   LIG    1        7.870   2.939   0.595  0.00  0.00    +0.045 C 
ATOM     27  C   LIG    1        6.856   1.839   0.453  0.00  0.00    -0.029 A 
ATOM     28  C   LIG    1        5.819   1.657   1.384  0.00  0.00    +0.046 A 
ATOM     29 CL   LIG    1        5.653   2.698   2.754  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1        4.883   0.622   1.232  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1        4.970  -0.248   0.145  0.00  0.00    +0.073 A 
ATOM     32  C   LIG    1        6.004  -0.062  -0.778  0.00  0.00    +0.145 A 
ATOM     33  F   LIG    1        6.106  -0.888  -1.832  0.00  0.00    -0.204 F 
ATOM     34  C   LIG    1        6.937   0.962  -0.636  0.00  0.00    +0.045 A 
ENDBRANCH  22  31
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 5