REMARK  Name = BDB053279
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.725   1.405  -0.242  0.00  0.00    +0.066 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.671   1.602  -0.725  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1       -1.868   1.057  -0.194  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1       -2.854   1.544  -1.030  0.00  0.00    +0.171 A 
ATOM      5  C   LIG    1       -4.217   1.265  -0.903  0.00  0.00    +0.095 A 
ATOM      6  C   LIG    1       -4.585   0.428   0.149  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1       -3.604  -0.076   1.019  0.00  0.00    +0.046 A 
ATOM      8  O   LIG    1       -2.286   2.326  -1.987  0.00  0.00    -0.354 OA
ATOM      9  C   LIG    1       -2.241   0.224   0.868  0.00  0.00    +0.017 A 
ATOM     10  N   LIG    1       -0.913   2.363  -1.802  0.00  0.00    -0.082 NA
BRANCH   6  11
ATOM     11  O   LIG    1       -5.841   0.012   0.469  0.00  0.00    -0.475 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -7.036   0.298  -0.277  0.00  0.00    +0.200 C 
ATOM     13  C   LIG    1       -6.995  -0.282  -1.695  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1       -7.414   1.782  -0.215  0.00  0.00    +0.067 C 
BRANCH  12  15
ATOM     15  C   LIG    1       -8.130  -0.476   0.492  0.00  0.00    +0.348 C 
ATOM     16  O   LIG    1       -7.997  -1.164   1.494  0.00  0.00    -0.247 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -9.364  -0.349  -0.048  0.00  0.00    -0.478 OA
ATOM     18  H   LIG    1       -9.928  -0.890   0.548  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH  11  12
ENDBRANCH   6  11
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  C   LIG    1        1.397   0.217  -0.934  0.00  0.00    +0.065 C 
BRANCH  19  21
ATOM     20  C   LIG    1        3.500  -1.243  -0.548  0.00  0.00    +0.131 A 
ATOM     21  C   LIG    1        2.753  -0.092  -0.402  0.00  0.00    +0.084 A 
ATOM     22  N   LIG    1        3.460   0.816   0.351  0.00  0.00    -0.214 NA
ATOM     23  C   LIG    1        4.588   0.203   0.648  0.00  0.00    +0.229 A 
ATOM     24  O   LIG    1        4.679  -1.062   0.121  0.00  0.00    -0.440 OA
BRANCH  23  25
ATOM     25  C   LIG    1        5.738   0.658   1.429  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1        5.642   1.644   2.429  0.00  0.00    +0.055 A 
ATOM     27 CL   LIG    1        4.144   2.385   2.888  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1        6.778   2.058   3.139  0.00  0.00    +0.040 A 
ATOM     29  C   LIG    1        8.018   1.492   2.862  0.00  0.00    +0.042 A 
ATOM     30 CL   LIG    1        9.408   2.002   3.738  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1        8.140   0.513   1.882  0.00  0.00    +0.021 A 
ATOM     32  C   LIG    1        7.008   0.100   1.173  0.00  0.00    +0.016 A 
ENDBRANCH  23  25
BRANCH  20  34
ATOM     33  C   LIG    1        4.404  -2.854  -2.224  0.00  0.00    +0.015 C 
ATOM     34  C   LIG    1        3.284  -2.552  -1.227  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1        3.151  -3.678  -0.201  0.00  0.00    +0.015 C 
ENDBRANCH  20  34
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 9