REMARK  Name = BDB040481
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.208  -0.602  -0.331  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -2.208  -0.146  -1.218  0.00  0.00    +0.047 A 
ATOM      3 CL   LIG    1       -2.369   1.303  -2.153  0.00  0.00    -0.083 Cl
ATOM      4  C   LIG    1       -1.000  -0.840  -1.373  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1       -0.742  -2.008  -0.651  0.00  0.00    -0.028 A 
ATOM      6  C   LIG    1       -1.706  -2.455   0.254  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1       -2.917  -1.765   0.413  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -4.003  -2.411   1.598  0.00  0.00    -0.083 Cl
ENDROOT
BRANCH   1  15
ATOM      9  O   LIG    1       -7.194   3.261  -0.667  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -6.359   2.375  -0.511  0.00  0.00    +0.219 C 
ATOM     11  N   LIG    1       -6.022   1.530  -1.538  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1       -6.519   1.676  -2.405  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1       -5.282   0.374  -1.464  0.00  0.00    +0.227 C 
ATOM     14  O   LIG    1       -5.300  -0.433  -2.391  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -4.540   0.124  -0.153  0.00  0.00    +0.108 C 
ATOM     16  C   LIG    1       -4.378   1.408   0.669  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1       -5.726   2.094   0.829  0.00  0.00    +0.097 C 
ENDBRANCH   1  15
BRANCH   5  18
ATOM     18  C   LIG    1        0.571  -2.729  -0.806  0.00  0.00    +0.139 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.554  -2.194   0.107  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        1.450  -2.407   1.094  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1        2.432  -1.183  -0.260  0.00  0.00    +0.228 C 
ATOM     22  O   LIG    1        2.465  -0.792  -1.429  0.00  0.00    -0.275 OA
BRANCH  21  23
ATOM     23  C   LIG    1        3.310  -0.609   0.944  0.00  0.00    +0.118 C 
ATOM     24  C   LIG    1        3.808  -1.659   1.978  0.00  0.00    +0.183 C 
ATOM     25  O   LIG    1        2.641  -1.413   2.815  0.00  0.00    -0.377 OA
ATOM     26  C   LIG    1        2.475  -0.120   2.162  0.00  0.00    +0.183 C 
BRANCH  23  27
ATOM     27  C   LIG    1        4.411   0.399   0.356  0.00  0.00    -0.028 A 
ATOM     28  C   LIG    1        4.151   1.776   0.190  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        5.110   2.659  -0.314  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.367   2.188  -0.675  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.659   0.836  -0.538  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.694  -0.041  -0.034  0.00  0.00    +0.005 A 
ENDBRANCH  23  27
ENDBRANCH  21  23
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 5