REMARK  Name = BDB040602
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.991   0.231  -1.406  0.00  0.00    -0.026 A 
ATOM      2  C   LIG    1       -1.653  -0.935  -0.995  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -2.934  -0.879  -0.428  0.00  0.00    +0.048 A 
ATOM      4 CL   LIG    1       -3.645  -2.388   0.027  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -3.588   0.351  -0.251  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -2.909   1.504  -0.671  0.00  0.00    +0.129 A 
ATOM      7  F   LIG    1       -3.492   2.705  -0.541  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -1.635   1.457  -1.233  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.971   0.515   0.359  0.00  0.00    +0.110 C 
ATOM     10  C   LIG    1       -5.096  -0.105   1.748  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -4.185  -0.099   2.574  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -6.330  -0.611   2.082  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -6.405  -1.002   3.011  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -7.512  -0.456   1.404  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -8.580  -0.795   1.905  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -7.434   0.232   0.063  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -6.074   0.025  -0.584  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        0.401   0.158  -1.975  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        1.906  -1.167  -0.528  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1        1.374   0.045  -0.914  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.564   0.870  -0.356  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.663  -2.210  -1.131  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1        2.839  -1.114   0.700  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1        2.021  -0.614   1.912  0.00  0.00    +0.027 C 
ATOM     25  C   LIG    1        3.341  -2.531   1.044  0.00  0.00    +0.027 C 
BRANCH  23  29
ATOM     26  C   LIG    1        6.142   1.364  -0.229  0.00  0.00    +0.233 A 
ATOM     27  N   LIG    1        5.954   0.278  -1.008  0.00  0.00    -0.218 NA
ATOM     28  C   LIG    1        4.891  -0.496  -0.677  0.00  0.00    +0.139 A 
ATOM     29  C   LIG    1        4.030  -0.212   0.388  0.00  0.00    +0.074 A 
ATOM     30  N   LIG    1        4.225   0.896   1.150  0.00  0.00    -0.252 NA
ATOM     31  C   LIG    1        5.295   1.665   0.825  0.00  0.00    +0.178 A 
BRANCH  26  33
ATOM     32  C   LIG    1        8.013   1.809  -1.556  0.00  0.00    +0.279 C 
ATOM     33  O   LIG    1        7.192   2.224  -0.469  0.00  0.00    -0.479 OA
ENDBRANCH  26  33
ENDBRANCH  23  29
ENDBRANCH  19  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6