REMARK  Name = BDB057726
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.159   1.612   0.790  0.00  0.00    +0.030 C 
ATOM      2  C   LIG    1        0.966   2.405   1.308  0.00  0.00    +0.025 C 
ATOM      3  C   LIG    1        1.812   1.587   2.257  0.00  0.00    +0.015 C 
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -0.452   2.018   0.960  0.00  0.00    -0.043 A 
ATOM      5  C   LIG    1       -0.963   2.256  -0.325  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -2.283   1.931  -0.678  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1       -2.758   2.233  -2.071  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1       -3.106   1.306   0.270  0.00  0.00    +0.128 A 
ATOM      9  C   LIG    1       -2.658   1.131   1.587  0.00  0.00    -0.008 A 
ATOM     10  C   LIG    1       -3.547   0.585   2.667  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1       -1.332   1.472   1.906  0.00  0.00    +0.011 A 
BRANCH   8  12
ATOM     12  O   LIG    1       -4.386   0.973  -0.076  0.00  0.00    -0.475 OA
BRANCH  12  13
ATOM     13  C   LIG    1       -4.638  -0.387  -0.503  0.00  0.00    +0.200 C 
ATOM     14  C   LIG    1       -5.377  -0.274  -1.846  0.00  0.00    +0.067 C 
ATOM     15  C   LIG    1       -3.406  -1.295  -0.679  0.00  0.00    +0.067 C 
BRANCH  13  16
ATOM     16  C   LIG    1       -5.633  -1.026   0.483  0.00  0.00    +0.348 C 
ATOM     17  O   LIG    1       -6.255  -0.474   1.378  0.00  0.00    -0.247 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -5.845  -2.344   0.265  0.00  0.00    -0.478 OA
ATOM     19  H   LIG    1       -6.506  -2.583   0.949  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH  12  13
ENDBRANCH   8  12
ENDBRANCH   2   4
BRANCH   1  20
ATOM     20  C   LIG    1        2.027   0.382  -0.084  0.00  0.00    +0.152 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.412  -0.179  -0.369  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1        4.101  -0.931   0.595  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        5.381  -1.435   0.337  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        5.997  -1.189  -0.889  0.00  0.00    +0.130 A 
ATOM     25  C   LIG    1        5.318  -0.433  -1.850  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        4.040   0.070  -1.595  0.00  0.00    +0.010 A 
BRANCH  24  27
ATOM     27  O   LIG    1        7.236  -1.613  -1.276  0.00  0.00    -0.406 OA
BRANCH  27  28
ATOM     28  C   LIG    1        7.982  -2.394  -0.359  0.00  0.00    +0.575 C 
ATOM     29  F   LIG    1        9.166  -2.713  -0.927  0.00  0.00    -0.133 F 
ATOM     30  F   LIG    1        7.340  -3.543  -0.059  0.00  0.00    -0.133 F 
ATOM     31  F   LIG    1        8.235  -1.707   0.775  0.00  0.00    -0.133 F 
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  20  21
BRANCH  20  33
ATOM     32  C   LIG    1        0.536  -1.442  -0.363  0.00  0.00    +0.194 C 
ATOM     33  O   LIG    1        1.232  -0.619   0.561  0.00  0.00    -0.375 OA
ENDBRANCH  20  33
ENDBRANCH   1  20
TORSDOF 10