REMARK  Name = BDB045600
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.474  -0.740   0.122  0.00  0.00    +0.311 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.260   0.591   0.268  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1        0.247   1.543  -0.766  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        0.965   2.734  -0.644  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        1.707   2.981   0.508  0.00  0.00    +0.041 A 
ATOM      6 CL   LIG    1        2.607   4.439   0.651  0.00  0.00    -0.084 Cl
ATOM      7  C   LIG    1        1.737   2.047   1.541  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.018   0.855   1.421  0.00  0.00    +0.009 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      9  C   LIG    1        0.392  -1.716  -0.695  0.00  0.00    +0.353 C 
ATOM     10  O   LIG    1        0.116  -2.185  -1.792  0.00  0.00    -0.246 OA
BRANCH   9  11
ATOM     11  O   LIG    1        1.557  -1.970  -0.024  0.00  0.00    -0.460 OA
BRANCH  11  12
ATOM     12  C   LIG    1        2.560  -2.701  -0.753  0.00  0.00    +0.251 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.239  -1.806  -1.798  0.00  0.00    +0.145 C 
BRANCH  13  16
ATOM     14  C   LIG    1        5.256   0.760   0.131  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1        4.914  -0.579  -0.464  0.00  0.00    +0.210 C 
ATOM     16  N   LIG    1        3.769  -0.579  -1.224  0.00  0.00    -0.312 N 
ATOM     17  H   LIG    1        3.155   0.226  -1.176  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1        5.593  -1.580  -0.263  0.00  0.00    -0.276 OA
ENDBRANCH  13  16
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   9
BRANCH   1  19
ATOM     19  O   LIG    1       -1.721  -0.566  -0.561  0.00  0.00    -0.473 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -2.838  -0.271   0.167  0.00  0.00    +0.123 A 
ATOM     21  C   LIG    1       -4.040  -0.438  -0.526  0.00  0.00    +0.058 A 
ATOM     22  C   LIG    1       -5.275  -0.170   0.085  0.00  0.00    +0.058 A 
ATOM     23  C   LIG    1       -5.286   0.294   1.407  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -4.088   0.473   2.100  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -2.867   0.193   1.481  0.00  0.00    +0.046 A 
BRANCH  22  26
ATOM     26  C   LIG    1       -6.560  -0.339  -0.686  0.00  0.00    +0.418 C 
ATOM     27  F   LIG    1       -6.863   0.757  -1.434  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -7.641  -0.555   0.115  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -6.527  -1.389  -1.554  0.00  0.00    -0.166 F 
ENDBRANCH  22  26
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 9