REMARK  Name = BDB053683
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.575  -0.259   2.446  0.00  0.00    -0.026 A 
ATOM      2  C   LIG    1        1.164  -0.410   1.179  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1        0.365  -0.221   0.035  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -1.007   0.105   0.108  0.00  0.00    -0.023 A 
ATOM      5  C   LIG    1       -1.823   0.298  -1.189  0.00  0.00    +0.032 C 
ATOM      6  C   LIG    1       -3.258   0.633  -0.861  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1       -3.809   0.763   0.397  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -3.023   0.580   1.599  0.00  0.00    +0.196 C 
ATOM      9  O   LIG    1       -3.494   0.694   2.726  0.00  0.00    -0.287 OA
ATOM     10  C   LIG    1       -5.188   1.084   0.234  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -5.436   1.141  -1.138  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1       -6.700   1.436  -1.666  0.00  0.00    +0.045 A 
ATOM     13  C   LIG    1       -7.745   1.681  -0.762  0.00  0.00    +0.054 A 
ATOM     14  C   LIG    1       -7.523   1.630   0.616  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1       -6.252   1.334   1.124  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -4.250   0.864  -1.781  0.00  0.00    -0.357 N 
ATOM     17  H   LIG    1       -4.139   0.837  -2.786  0.00  0.00    +0.166 HD
ATOM     18  C   LIG    1       -1.792  -1.005  -2.018  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1       -1.217   1.455  -2.013  0.00  0.00    +0.022 C 
ATOM     20  C   LIG    1       -1.579   0.241   1.393  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1       -0.790   0.058   2.540  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   2  22
ATOM     22  N   LIG    1        2.527  -0.724   1.075  0.00  0.00    -0.327 N 
ATOM     23  C   LIG    1        2.863  -1.948   0.318  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        3.659  -1.634  -0.969  0.00  0.00    +0.104 C 
ATOM     25  N   LIG    1        4.929  -0.898  -0.739  0.00  0.00    -0.292 NA
ATOM     26  C   LIG    1        4.808   0.008   0.433  0.00  0.00    +0.104 C 
ATOM     27  C   LIG    1        3.367   0.452   0.768  0.00  0.00    +0.120 C 
BRANCH  25  28
ATOM     28  C   LIG    1        5.270  -0.122  -1.949  0.00  0.00    +0.108 C 
ATOM     29  C   LIG    1        6.759   0.277  -1.945  0.00  0.00    +0.181 C 
ATOM     30  O   LIG    1        6.932  -0.279  -3.279  0.00  0.00    -0.377 OA
ATOM     31  C   LIG    1        5.708  -1.046  -3.102  0.00  0.00    +0.181 C 
ENDBRANCH  25  28
ENDBRANCH   2  22
BRANCH   1  33
ATOM     32  C   LIG    1        1.385  -1.944   4.129  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1        1.357  -0.477   3.723  0.00  0.00    +0.033 C 
ENDBRANCH   1  33
BRANCH  13  34
ATOM     34  C   LIG    1       -9.054   1.986  -1.263  0.00  0.00    +0.099 C 
ATOM     35  N   LIG    1      -10.110   2.233  -1.677  0.00  0.00    -0.191 NA
ENDBRANCH  13  34
TORSDOF 4