REMARK  Name = BDB001248
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.950  -0.005  -1.014  0.00  0.00    +0.009 A 
ATOM      2  C   LIG    1        2.485   0.978  -1.888  0.00  0.00    +0.128 A 
ATOM      3  F   LIG    1        3.255   2.038  -2.170  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        1.225   0.889  -2.470  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        0.400  -0.201  -2.184  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        0.841  -1.201  -1.317  0.00  0.00    +0.122 A 
ATOM      7  C   LIG    1        2.111  -1.095  -0.736  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1        4.311   0.111  -0.383  0.00  0.00    +0.149 C 
BRANCH   8  10
ATOM      9  C   LIG    1        4.271  -0.478   2.003  0.00  0.00    +0.403 C 
ATOM     10  N   LIG    1        4.254   0.502   1.025  0.00  0.00    -0.252 N 
ATOM     11  O   LIG    1        4.396  -1.673   1.770  0.00  0.00    -0.226 OA
BRANCH   9  13
ATOM     12  C   LIG    1        4.227  -0.922   4.303  0.00  0.00    +0.282 C 
ATOM     13  O   LIG    1        4.192   0.046   3.252  0.00  0.00    -0.454 OA
ENDBRANCH   9  13
BRANCH  10  14
ATOM     14  C   LIG    1        3.977   1.915   1.343  0.00  0.00    +0.231 C 
BRANCH  14  15
ATOM     15  C   LIG    1        5.238   2.719   1.647  0.00  0.00    +0.322 C 
ATOM     16  O   LIG    1        5.230   3.909   1.929  0.00  0.00    -0.249 OA
BRANCH  15  17
ATOM     17  O   LIG    1        6.387   2.006   1.568  0.00  0.00    -0.480 OA
ATOM     18  H   LIG    1        6.199   1.070   1.358  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  10  14
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   6  19
ATOM     19  O   LIG    1        0.143  -2.315  -0.943  0.00  0.00    -0.486 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -1.129  -2.562  -1.557  0.00  0.00    +0.288 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.241  -1.771  -0.961  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1       -2.527  -1.525   0.365  0.00  0.00    +0.129 A 
ATOM     23  C   LIG    1       -1.902  -1.896   1.646  0.00  0.00    +0.088 C 
ATOM     24  O   LIG    1       -3.644  -0.740   0.416  0.00  0.00    -0.440 OA
ATOM     25  C   LIG    1       -3.986  -0.547  -0.897  0.00  0.00    +0.228 A 
ATOM     26  N   LIG    1       -3.179  -1.142  -1.756  0.00  0.00    -0.210 NA
BRANCH  25  27
ATOM     27  C   LIG    1       -5.166   0.274  -1.158  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1       -5.567   0.510  -2.483  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1       -6.691   1.292  -2.765  0.00  0.00    +0.021 A 
ATOM     30  C   LIG    1       -7.426   1.847  -1.721  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1       -8.809   2.810  -2.064  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1       -7.047   1.626  -0.399  0.00  0.00    +0.021 A 
ATOM     33  C   LIG    1       -5.921   0.843  -0.120  0.00  0.00    +0.014 A 
ENDBRANCH  25  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 10