REMARK  Name = BDB040491
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.293  -2.318   1.427  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1        3.174  -0.444  -0.445  0.00  0.00    +0.001 A 
ATOM      3  C   LIG    1        2.700  -1.706  -0.866  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1        3.442  -2.614  -2.142  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        1.591  -2.313  -0.257  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        0.927  -1.693   0.803  0.00  0.00    -0.028 A 
ATOM      7  C   LIG    1        1.395  -0.453   1.245  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        2.500   0.159   0.639  0.00  0.00    +0.047 A 
ATOM      9 CL   LIG    1        2.990   1.677   1.313  0.00  0.00    -0.083 Cl
BRANCH   2  16
ATOM     10  O   LIG    1        7.622   0.495  -3.649  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1        6.671   0.372  -2.883  0.00  0.00    +0.219 C 
ATOM     12  N   LIG    1        5.382   0.342  -3.353  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        5.278   0.447  -4.353  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        4.218   0.387  -2.623  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1        3.143   0.598  -3.182  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        4.360   0.252  -1.109  0.00  0.00    +0.108 C 
ATOM     17  C   LIG    1        5.692  -0.398  -0.715  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1        6.843   0.336  -1.384  0.00  0.00    +0.097 C 
ENDBRANCH   2  16
ENDBRANCH   1   6
BRANCH   1  19
ATOM     19  N   LIG    1       -1.495  -1.772   0.835  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.698  -2.045  -0.116  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1       -2.178  -0.713   1.416  0.00  0.00    +0.224 C 
ATOM     22  O   LIG    1       -1.826  -0.291   2.520  0.00  0.00    -0.275 OA
BRANCH  21  23
ATOM     23  C   LIG    1       -3.385  -0.126   0.528  0.00  0.00    +0.083 C 
ATOM     24  C   LIG    1       -2.991   0.294  -0.935  0.00  0.00    +0.096 C 
ATOM     25  C   LIG    1       -4.284  -0.365  -1.443  0.00  0.00    +0.251 C 
ATOM     26  F   LIG    1       -4.155  -1.089  -2.577  0.00  0.00    -0.206 F 
ATOM     27  F   LIG    1       -5.328   0.471  -1.632  0.00  0.00    -0.206 F 
ATOM     28  C   LIG    1       -4.327  -1.191  -0.145  0.00  0.00    +0.096 C 
BRANCH  23  29
ATOM     29  C   LIG    1       -4.135   1.013   1.420  0.00  0.00    -0.032 A 
ATOM     30  C   LIG    1       -3.734   2.368   1.393  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -4.374   3.348   2.158  0.00  0.00    +0.038 A 
ATOM     32  C   LIG    1       -5.430   2.991   2.981  0.00  0.00    +0.123 A 
ATOM     33  F   LIG    1       -6.044   3.926   3.716  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1       -5.850   1.673   3.057  0.00  0.00    +0.038 A 
ATOM     35  C   LIG    1       -5.205   0.698   2.289  0.00  0.00    +0.007 A 
ENDBRANCH  23  29
ENDBRANCH  21  23
ENDBRANCH   1  19
TORSDOF 5