REMARK  Name = BDB024062
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.538   1.576   1.271  0.00  0.00    +0.012 C 
ATOM      2  C   LIG    1        1.611   0.942   0.775  0.00  0.00    +0.052 C 
ENDROOT
BRANCH   1   9
ATOM      3  C   LIG    1       -4.296   1.288   2.328  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1       -3.213   1.159   1.293  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -3.477   0.879  -0.058  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -2.450   1.010  -1.008  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1       -2.699   0.982  -2.491  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1       -1.128   1.206  -0.569  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -0.829   1.343   0.790  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1       -1.883   1.355   1.707  0.00  0.00    +0.015 A 
BRANCH   5  11
ATOM     11  O   LIG    1       -4.762   0.649  -0.469  0.00  0.00    -0.475 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -5.220  -0.727  -0.533  0.00  0.00    +0.200 C 
ATOM     13  C   LIG    1       -5.239  -1.428   0.831  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1       -4.458  -1.575  -1.559  0.00  0.00    +0.067 C 
BRANCH  12  15
ATOM     15  C   LIG    1       -6.679  -0.611  -1.017  0.00  0.00    +0.348 C 
ATOM     16  O   LIG    1       -7.302   0.406  -1.283  0.00  0.00    -0.247 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -7.304  -1.804  -1.149  0.00  0.00    -0.478 OA
ATOM     18  H   LIG    1       -8.201  -1.554  -1.457  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH  11  12
ENDBRANCH   5  11
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  C   LIG    1        2.955   1.243   1.327  0.00  0.00    +0.188 C 
ATOM     20  O   LIG    1        3.145   1.933   2.319  0.00  0.00    -0.287 OA
BRANCH  19  21
ATOM     21  C   LIG    1        4.101   0.602   0.662  0.00  0.00    +0.052 A 
ATOM     22  C   LIG    1        4.502   0.905  -0.636  0.00  0.00    +0.155 A 
ATOM     23  N   LIG    1        5.559   0.257  -1.221  0.00  0.00    -0.242 NA
ATOM     24  C   LIG    1        6.254  -0.653  -0.514  0.00  0.00    +0.072 A 
ATOM     25  C   LIG    1        5.927  -0.978   0.818  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        6.686  -1.928   1.523  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1        7.765  -2.561   0.910  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        8.089  -2.247  -0.405  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        7.333  -1.300  -1.101  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1        4.834  -0.329   1.402  0.00  0.00    +0.023 A 
BRANCH  22  31
ATOM     31  C   LIG    1        3.777   1.962  -1.452  0.00  0.00    +0.435 C 
ATOM     32  F   LIG    1        3.495   3.092  -0.746  0.00  0.00    -0.164 F 
ATOM     33  F   LIG    1        4.468   2.383  -2.550  0.00  0.00    -0.164 F 
ATOM     34  F   LIG    1        2.578   1.512  -1.927  0.00  0.00    -0.164 F 
ENDBRANCH  22  31
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 8