REMARK  Name = BDB040434
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.362  -0.958  -1.414  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        1.122  -1.935  -0.769  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        2.442  -1.673  -0.373  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1        3.252  -2.963   0.453  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        3.052  -0.423  -0.614  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.259   0.562  -1.240  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1        2.824   2.171  -1.548  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        0.939   0.295  -1.632  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.497  -0.167  -0.190  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1        5.379   0.369  -1.315  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        5.284  -0.009  -2.481  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1        6.369   1.250  -0.950  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        6.955   1.585  -1.703  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        6.810   1.535   0.317  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        7.838   2.180   0.500  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        6.022   0.935   1.455  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        4.570   0.712   1.065  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -1.065  -1.223  -1.815  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.578   0.422  -0.766  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1       -1.968  -0.819  -0.763  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.012  -1.394   0.066  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -2.430   1.221  -1.687  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -2.385   0.917   1.645  0.00  0.00    +0.026 C 
ATOM     24  C   LIG    1       -3.412   0.741   0.503  0.00  0.00    +0.072 C 
ATOM     25  C   LIG    1       -4.122   2.102   0.325  0.00  0.00    +0.026 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -4.478  -0.336   0.742  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1       -4.666  -1.000   1.958  0.00  0.00    +0.148 A 
ATOM     28  F   LIG    1       -3.903  -0.742   3.027  0.00  0.00    -0.203 F 
ATOM     29  C   LIG    1       -5.664  -1.962   2.083  0.00  0.00    +0.149 A 
ATOM     30  N   LIG    1       -6.498  -2.322   1.083  0.00  0.00    -0.258 NA
ATOM     31  C   LIG    1       -6.322  -1.674  -0.090  0.00  0.00    +0.149 A 
ATOM     32  C   LIG    1       -5.352  -0.701  -0.294  0.00  0.00    +0.148 A 
ATOM     33  F   LIG    1       -5.263  -0.123  -1.499  0.00  0.00    -0.203 F 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5