REMARK  Name = BDB000452
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.343  -1.107   1.128  0.00  0.00    +0.082 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.524  -1.756   0.415  0.00  0.00    +0.232 C 
BRANCH   2   3
ATOM      3  O   LIG    1       -2.707  -1.024   0.728  0.00  0.00    -0.492 OA
BRANCH   3   5
ATOM      4  C   LIG    1       -4.957  -0.513   0.275  0.00  0.00    -0.005 A 
ATOM      5  C   LIG    1       -3.865  -1.382   0.093  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1       -4.021  -2.527  -0.692  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -5.247  -2.808  -1.303  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1       -6.343  -1.952  -1.135  0.00  0.00    +0.055 A 
ATOM      9  C   LIG    1       -6.183  -0.801  -0.350  0.00  0.00    +0.019 A 
BRANCH   8  10
ATOM     10  C   LIG    1       -7.657  -2.241  -1.817  0.00  0.00    +0.417 C 
ATOM     11  F   LIG    1       -7.884  -3.572  -1.998  0.00  0.00    -0.166 F 
ATOM     12  F   LIG    1       -7.734  -1.677  -3.054  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1       -8.734  -1.773  -1.125  0.00  0.00    -0.166 F 
ENDBRANCH   8  10
BRANCH   4  14
ATOM     14  C   LIG    1       -4.832   0.749   1.102  0.00  0.00    +0.038 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -4.115   3.164   1.125  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -4.261   1.908   0.282  0.00  0.00    +0.001 C 
ENDBRANCH  14  16
ENDBRANCH   4  14
ENDBRANCH   3   5
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -0.151   0.350   0.713  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  O   LIG    1        1.010   0.897   1.342  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1        2.210   0.819   0.690  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        3.240   1.548   1.296  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1        4.500   1.539   0.721  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1        5.736   2.228   1.204  0.00  0.00    +0.036 C 
ATOM     23  C   LIG    1        6.613   2.173  -0.056  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1        6.205   0.901  -0.837  0.00  0.00    +0.030 C 
ATOM     25  C   LIG    1        4.758   0.794  -0.432  0.00  0.00    -0.040 A 
ATOM     26  C   LIG    1        3.752   0.064  -1.042  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        2.472   0.080  -0.474  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1        7.019  -0.320  -0.397  0.00  0.00    +0.128 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.783  -1.509  -1.300  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1        6.501  -1.442  -2.487  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        6.968  -2.694  -0.674  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1        7.194  -2.616   0.272  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  24  28
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 12