REMARK  Name = BDB040492
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.136   0.184  -0.223  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -2.661   0.467  -1.522  0.00  0.00    +0.047 A 
ATOM      3 CL   LIG    1       -3.522   1.484  -2.629  0.00  0.00    -0.083 Cl
ATOM      4  C   LIG    1       -1.460  -0.078  -1.998  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1       -0.698  -0.937  -1.203  0.00  0.00    -0.028 A 
ATOM      6  C   LIG    1       -1.159  -1.240   0.079  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1       -2.360  -0.698   0.561  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -2.817  -1.193   2.157  0.00  0.00    -0.083 Cl
ENDROOT
BRANCH   1  15
ATOM      9  O   LIG    1       -7.560   1.314   2.954  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -6.636   1.108   2.173  0.00  0.00    +0.219 C 
ATOM     11  N   LIG    1       -5.361   1.527   2.459  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1       -5.250   2.022   3.333  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1       -4.270   1.537   1.623  0.00  0.00    +0.227 C 
ATOM     14  O   LIG    1       -3.259   2.166   1.928  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -4.431   0.812   0.288  0.00  0.00    +0.108 C 
ATOM     16  C   LIG    1       -5.580  -0.202   0.322  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1       -6.849   0.471   0.821  0.00  0.00    +0.097 C 
ENDBRANCH   1  15
BRANCH   5  18
ATOM     18  C   LIG    1        0.615  -1.475  -1.698  0.00  0.00    +0.139 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.675  -0.530  -1.438  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        1.554   0.119  -0.671  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1        2.954  -0.760  -1.917  0.00  0.00    +0.228 C 
ATOM     22  O   LIG    1        3.186  -1.719  -2.657  0.00  0.00    -0.275 OA
BRANCH  21  23
ATOM     23  C   LIG    1        4.038   0.266  -1.400  0.00  0.00    +0.118 C 
ATOM     24  C   LIG    1        5.261   0.439  -2.343  0.00  0.00    +0.183 C 
ATOM     25  O   LIG    1        4.818   1.744  -2.772  0.00  0.00    -0.377 OA
ATOM     26  C   LIG    1        3.783   1.749  -1.769  0.00  0.00    +0.183 C 
BRANCH  23  27
ATOM     27  C   LIG    1        4.362  -0.114   0.133  0.00  0.00    -0.028 A 
ATOM     28  C   LIG    1        3.866   0.631   1.227  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        4.146   0.277   2.550  0.00  0.00    +0.038 A 
ATOM     30  C   LIG    1        4.929  -0.837   2.810  0.00  0.00    +0.123 A 
ATOM     31  F   LIG    1        5.196  -1.178   4.077  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        5.434  -1.603   1.772  0.00  0.00    +0.038 A 
ATOM     33  C   LIG    1        5.151  -1.243   0.452  0.00  0.00    +0.007 A 
ENDBRANCH  23  27
ENDBRANCH  21  23
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 5