REMARK  Name = BDB040625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.477   1.170   1.248  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -1.359   0.210   1.738  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -2.667   0.109   1.236  0.00  0.00    +0.049 A 
ATOM      4 CL   LIG    1       -3.605  -1.186   1.911  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -3.150   0.980   0.229  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -2.223   1.911  -0.288  0.00  0.00    +0.049 A 
ATOM      7 CL   LIG    1       -2.561   2.972  -1.613  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -0.916   2.003   0.218  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.594   0.901  -0.290  0.00  0.00    +0.215 C 
ATOM     10  C   LIG    1       -5.633   0.859   0.856  0.00  0.00    +0.261 C 
ATOM     11  O   LIG    1       -5.521   1.493   1.905  0.00  0.00    -0.272 OA
ATOM     12  N   LIG    1       -6.776   0.125   0.622  0.00  0.00    -0.253 N 
ATOM     13  H   LIG    1       -7.461   0.130   1.366  0.00  0.00    +0.158 HD
ATOM     14  C   LIG    1       -7.167  -0.478  -0.546  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -8.274  -0.997  -0.649  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -6.198  -0.409  -1.700  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1       -4.759  -0.316  -1.213  0.00  0.00    +0.064 C 
ATOM     18  F   LIG    1       -4.950   1.978  -1.065  0.00  0.00    -0.227 F 
ENDBRANCH   5   9
BRANCH   1  19
ATOM     19  C   LIG    1        0.934   1.268   1.762  0.00  0.00    +0.139 C 
BRANCH  19  21
ATOM     20  C   LIG    1        2.596   1.021  -0.053  0.00  0.00    +0.223 C 
ATOM     21  N   LIG    1        1.822   0.472   0.951  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        1.906  -0.516   1.151  0.00  0.00    +0.149 HD
ATOM     23  O   LIG    1        2.585   2.224  -0.304  0.00  0.00    -0.275 OA
BRANCH  20  25
ATOM     24  C   LIG    1        2.422  -0.840  -1.679  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1        3.433  -0.005  -0.861  0.00  0.00    +0.066 C 
ATOM     26  C   LIG    1        4.336   0.742  -1.865  0.00  0.00    +0.025 C 
BRANCH  25  27
ATOM     27  C   LIG    1        4.330  -0.839   0.074  0.00  0.00    -0.033 A 
ATOM     28  C   LIG    1        5.151  -0.185   1.014  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        5.974  -0.904   1.883  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.998  -2.294   1.827  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.204  -2.961   0.899  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        4.380  -2.242   0.029  0.00  0.00    +0.004 A 
ENDBRANCH  25  27
ENDBRANCH  20  25
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 5