REMARK  Name = BDB053884
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.957  -0.870  -0.805  0.00  0.00    +0.125 C 
ATOM      2  C   LIG    1       -2.428  -0.542  -0.465  0.00  0.00    +0.109 C 
ATOM      3  C   LIG    1       -2.595   0.659   0.418  0.00  0.00    -0.007 A 
ATOM      4  C   LIG    1       -3.214   0.275   1.603  0.00  0.00    -0.013 A 
ATOM      5  C   LIG    1       -3.474   1.189   2.613  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -3.102   2.514   2.404  0.00  0.00    +0.159 A 
ATOM      7  C   LIG    1       -2.486   2.905   1.212  0.00  0.00    +0.159 A 
ATOM      8  F   LIG    1       -2.139   4.187   1.028  0.00  0.00    -0.202 F 
ATOM      9  F   LIG    1       -3.343   3.420   3.362  0.00  0.00    -0.202 F 
ATOM     10  C   LIG    1       -3.495  -1.181   1.575  0.00  0.00    +0.196 C 
ATOM     11  C   LIG    1       -2.226   1.980   0.204  0.00  0.00    +0.048 A 
ATOM     12  O   LIG    1       -3.079  -1.623   0.263  0.00  0.00    -0.363 OA
ATOM     13  C   LIG    1       -3.213  -0.378  -1.780  0.00  0.00    +0.056 C 
ATOM     14  C   LIG    1       -3.047  -1.607  -2.676  0.00  0.00    +0.084 C 
ATOM     15  N   LIG    1       -1.635  -1.902  -2.941  0.00  0.00    -0.315 NA
ATOM     16  H   LIG    1       -1.585  -2.752  -3.506  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1       -0.904  -2.120  -1.686  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   1  19
ATOM     18  O   LIG    1       -0.471  -1.669   1.415  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -0.059  -1.076   0.415  0.00  0.00    +0.224 C 
ATOM     20  N   LIG    1        1.257  -0.578   0.354  0.00  0.00    -0.294 N 
BRANCH  20  21
ATOM     21  C   LIG    1        2.059  -0.697   1.566  0.00  0.00    +0.077 C 
ATOM     22  C   LIG    1        1.572  -0.159   2.892  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1        2.718   0.504   2.202  0.00  0.00    +0.024 C 
ENDBRANCH  20  21
BRANCH  20  24
ATOM     24  C   LIG    1        2.010  -0.539  -0.914  0.00  0.00    +0.144 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.146   0.458  -0.969  0.00  0.00    -0.010 A 
ATOM     26  C   LIG    1        2.934   1.837  -1.168  0.00  0.00    +0.064 A 
ATOM     27 CL   LIG    1        1.321   2.443  -1.369  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1        4.030   2.716  -1.201  0.00  0.00    +0.060 A 
ATOM     29 CL   LIG    1        3.850   4.421  -1.440  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1        5.330   2.229  -1.040  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1        5.547   0.868  -0.845  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        4.465  -0.010  -0.810  0.00  0.00    +0.007 A 
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH   1  19
TORSDOF 4