REMARK  Name = BDB057265
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.047  -1.032   3.854  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.003   0.244   3.048  0.00  0.00    -0.030 A 
ATOM      3  C   LIG    1        0.641   0.316   1.801  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        0.528   1.447   0.980  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -0.203   2.544   1.452  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -0.824   2.497   2.704  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -0.734   1.349   3.493  0.00  0.00    +0.005 A 
BRANCH   4   8
ATOM      8  C   LIG    1        1.134   1.416  -0.344  0.00  0.00    +0.089 A 
ATOM      9  N   LIG    1        1.831   0.305  -0.820  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        2.165   0.634  -2.039  0.00  0.00    +0.110 A 
ATOM     11  C   LIG    1        2.868   0.005  -3.172  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1        3.103   1.222  -4.104  0.00  0.00    +0.029 C 
ATOM     13  C   LIG    1        2.046   2.271  -3.710  0.00  0.00    +0.123 C 
ATOM     14  N   LIG    1        1.724   1.878  -2.357  0.00  0.00    -0.334 N 
ATOM     15  C   LIG    1        1.071   2.413  -1.310  0.00  0.00    +0.115 A 
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     16  O   LIG    1       -2.670  -1.815   3.811  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -1.875  -2.293   3.007  0.00  0.00    +0.218 C 
ATOM     18  N   LIG    1       -0.506  -2.128   3.086  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1        0.030  -2.404   2.273  0.00  0.00    +0.149 HD
BRANCH  17  20
ATOM     20  C   LIG    1       -2.323  -3.113   1.807  0.00  0.00    +0.131 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.068  -2.398   0.497  0.00  0.00    -0.037 A 
ATOM     22  C   LIG    1       -1.237  -2.963  -0.481  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1       -0.982  -2.283  -1.680  0.00  0.00    +0.060 A 
ATOM     24 CL   LIG    1        0.050  -3.054  -2.834  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1       -1.562  -1.033  -1.913  0.00  0.00    +0.059 A 
ATOM     26 CL   LIG    1       -1.311  -0.149  -3.378  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1       -2.394  -0.467  -0.945  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1       -2.649  -1.145   0.250  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   1  18
TORSDOF 5