REMARK  Name = BDB040608
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.863   1.713  -1.093  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.630   1.617  -0.923  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.287   2.326   0.084  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.675   2.213   0.254  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -3.350   3.119   1.568  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.457   1.387  -0.581  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.772   0.654  -1.574  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -3.564  -0.459  -2.639  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -1.384   0.770  -1.739  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.970   1.293  -0.389  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -5.766   1.549  -1.667  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -5.441   2.388  -2.505  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -6.940   0.848  -1.806  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -7.465   1.038  -2.649  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -7.597   0.116  -0.851  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -8.738  -0.295  -1.039  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -6.882  -0.071   0.465  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.373  -0.024   0.285  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        1.897  -0.523  -0.880  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1        1.525   0.684  -0.325  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.605   0.816   0.676  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.778  -0.756  -2.081  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        2.828  -2.860  -0.626  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1        2.490  -1.546   0.111  0.00  0.00    +0.085 C 
ATOM     25  C   LIG    1        1.415  -1.883   1.168  0.00  0.00    +0.027 C 
BRANCH  24  26
ATOM     26  C   LIG    1        3.758  -0.966   0.732  0.00  0.00    +0.074 A 
ATOM     27  N   LIG    1        3.785  -0.754   2.074  0.00  0.00    -0.252 NA
ATOM     28  C   LIG    1        4.934  -0.235   2.576  0.00  0.00    +0.178 A 
ATOM     29  C   LIG    1        6.024   0.079   1.782  0.00  0.00    +0.238 A 
ATOM     30  N   LIG    1        6.002  -0.089   0.444  0.00  0.00    -0.218 NA
ATOM     31  C   LIG    1        4.858  -0.621  -0.057  0.00  0.00    +0.139 A 
BRANCH  29  32
ATOM     32  O   LIG    1        7.120   0.636   2.389  0.00  0.00    -0.415 OA
BRANCH  32  33
ATOM     33  C   LIG    1        8.265   0.580   1.561  0.00  0.00    +0.542 C 
ATOM     34  F   LIG    1        9.233   1.302   2.189  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1        8.716  -0.700   1.527  0.00  0.00    -0.166 F 
ENDBRANCH  32  33
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 7