REMARK  Name = BDB033114
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.570   0.551   0.035  0.00  0.00    +0.161 C 
ATOM      2  C   LIG    1       -0.239  -0.694   0.406  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1        0.162  -1.848   0.366  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -1.515  -0.272   0.757  0.00  0.00    -0.296 N 
ATOM      5  C   LIG    1       -1.659   1.158   0.629  0.00  0.00    +0.110 C 
ATOM      6  C   LIG    1       -0.231   1.666   0.705  0.00  0.00    +0.051 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        2.593   2.448  -0.395  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.884   1.392   0.159  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1        1.941   0.450   0.482  0.00  0.00    -0.300 N 
ATOM     10  H   LIG    1        2.271  -0.464   0.793  0.00  0.00    +0.150 HD
BRANCH   8  11
ATOM     11  C   LIG    1        4.307   1.089   0.511  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1        4.754  -0.141   1.024  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1        6.105  -0.340   1.325  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        7.023   0.689   1.112  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        6.590   1.909   0.600  0.00  0.00    +0.042 A 
ATOM     16 CL   LIG    1        7.727   3.173   0.338  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        5.245   2.113   0.299  0.00  0.00    +0.036 A 
BRANCH  12  18
ATOM     18  O   LIG    1        3.878  -1.173   1.236  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1        4.362  -1.956   1.551  0.00  0.00    +0.292 HD
ENDBRANCH  12  18
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   4  20
ATOM     20  C   LIG    1       -2.639  -1.167   0.951  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.461  -1.342  -0.312  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1       -4.742  -0.767  -0.482  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1       -5.426  -0.969  -1.698  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -4.861  -1.723  -2.726  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -3.604  -2.290  -2.557  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -2.911  -2.102  -1.363  0.00  0.00    +0.006 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -5.406   0.049   0.604  0.00  0.00    +0.418 C 
ATOM     28  F   LIG    1       -6.635   0.528   0.259  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -5.598  -0.662   1.750  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -4.675   1.143   0.959  0.00  0.00    -0.166 F 
ENDBRANCH  22  27
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 6