REMARK  Name = BDB058284
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.498  -0.524  -0.098  0.00  0.00    -0.285 N 
ATOM      2  H   LIG    1       -2.257  -0.708  -1.063  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -1.456  -0.082   0.705  0.00  0.00    +0.218 C 
ATOM      4  O   LIG    1       -1.520   0.196   1.896  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.323  -1.474  -2.144  0.00  0.00    +0.046 C 
ATOM      6  C   LIG    1       -4.746  -1.223  -0.719  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -3.844  -0.760   0.268  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -4.314  -0.552   1.573  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -5.651  -0.792   1.911  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1       -6.536  -1.248   0.934  0.00  0.00    +0.127 A 
ATOM     11  C   LIG    1       -6.091  -1.464  -0.375  0.00  0.00    +0.038 A 
BRANCH  10  12
ATOM     12  N   LIG    1       -7.940  -1.502   1.281  0.00  0.00    +0.056 N 
ATOM     13  O   LIG    1       -8.691  -1.905   0.381  0.00  0.00    -0.126 OA
ATOM     14  O   LIG    1       -8.292  -1.299   2.451  0.00  0.00    -0.126 OA
ENDBRANCH  10  12
ENDBRANCH   1   7
BRANCH   3  15
ATOM     15  C   LIG    1       -0.167   0.053  -0.089  0.00  0.00    +0.111 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.017   0.394   0.819  0.00  0.00    +0.094 C 
BRANCH  16  17
ATOM     17  N   LIG    1        2.290   0.434   0.074  0.00  0.00    -0.297 NA
ATOM     18  C   LIG    1        3.421   0.343   1.025  0.00  0.00    +0.119 C 
ATOM     19  C   LIG    1        4.779   0.526   0.381  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        4.908   1.172  -0.860  0.00  0.00    -0.042 A 
ATOM     21  C   LIG    1        6.179   1.358  -1.421  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        7.318   0.929  -0.741  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        7.196   0.307   0.499  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        3.676   1.603  -1.612  0.00  0.00    +0.051 C 
ATOM     25  C   LIG    1        5.934   0.108   1.059  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        2.430   1.670  -0.717  0.00  0.00    +0.089 C 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 5