REMARK  Name = BDB040539
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.182  -2.913  -0.408  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.399  -2.158   0.050  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.895  -1.085  -0.692  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.009  -0.348  -0.255  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -3.440   0.978  -1.277  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.677  -0.669   0.945  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.136  -1.741   1.697  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -3.785  -2.223   3.232  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -2.021  -2.469   1.257  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.904   0.072   1.482  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -5.917   0.539   0.448  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -6.487  -0.238  -0.317  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -6.171   1.888   0.386  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -6.839   2.170  -0.319  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -5.401   2.904   0.893  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -5.586   4.070   0.554  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -4.275   2.505   1.814  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -4.561   1.177   2.490  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        2.253  -2.844  -0.157  0.00  0.00    +0.226 C 
ATOM     20  N   LIG    1        1.018  -2.259   0.052  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.020  -1.240   0.058  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.351  -3.994  -0.581  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1        3.472  -1.975   0.221  0.00  0.00    +0.101 C 
ATOM     24  C   LIG    1        4.756  -2.799  -0.008  0.00  0.00    +0.029 C 
ATOM     25  C   LIG    1        3.402  -1.614   1.717  0.00  0.00    +0.029 C 
BRANCH  23  29
ATOM     26  C   LIG    1        3.470   1.635  -2.039  0.00  0.00    +0.056 A 
ATOM     27  C   LIG    1        2.413   1.254  -1.246  0.00  0.00    +0.123 A 
ATOM     28  N   LIG    1        2.388   0.113  -0.524  0.00  0.00    -0.239 NA
ATOM     29  C   LIG    1        3.474  -0.693  -0.610  0.00  0.00    +0.143 A 
ATOM     30  N   LIG    1        4.556  -0.395  -1.354  0.00  0.00    -0.239 NA
ATOM     31  C   LIG    1        4.527   0.754  -2.059  0.00  0.00    +0.123 A 
BRANCH  26  33
ATOM     32  C   LIG    1        4.105   4.045  -2.006  0.00  0.00    +0.091 C 
ATOM     33  C   LIG    1        3.478   2.914  -2.807  0.00  0.00    +0.274 C 
ATOM     34  F   LIG    1        4.166   2.806  -3.980  0.00  0.00    -0.200 F 
ATOM     35  F   LIG    1        2.220   3.307  -3.161  0.00  0.00    -0.200 F 
ENDBRANCH  26  33
ENDBRANCH  23  29
ENDBRANCH  19  23
ENDBRANCH   1  20
TORSDOF 6