REMARK  Name = BDB007571
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.668   1.215  -1.026  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.624   0.405  -0.106  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        0.528   0.113   0.591  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1        0.454  -0.331   1.499  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.860  -0.294   0.341  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -3.097   0.323   0.102  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -4.306  -0.283   0.474  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -4.234  -1.506   1.150  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -3.008  -2.140   1.381  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -1.820  -1.541   0.969  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  N   LIG    1       -5.492   0.424   0.265  0.00  0.00    -0.341 N 
ATOM     12  H   LIG    1       -5.396   1.110  -0.481  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -6.806  -0.235   0.264  0.00  0.00    +0.073 C 
ATOM     14  C   LIG    1       -7.903   0.840   0.355  0.00  0.00    +0.037 C 
ATOM     15  C   LIG    1       -8.513   1.136  -1.010  0.00  0.00    +0.082 C 
ATOM     16  N   LIG    1       -9.140  -0.044  -1.605  0.00  0.00    -0.316 NA
ATOM     17  H   LIG    1       -9.243   0.101  -2.609  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1       -8.433  -1.296  -1.342  0.00  0.00    +0.082 C 
ATOM     19  C   LIG    1       -6.963  -1.106  -0.992  0.00  0.00    +0.037 C 
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  20
ATOM     20  C   LIG    1        1.760   0.845   0.338  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.929   0.220   1.113  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1        2.572   0.152   2.510  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        2.412   1.063   2.812  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        4.243   1.019   0.963  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1        4.684   1.243  -0.422  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        5.150   0.014  -1.093  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        6.526  -0.459  -0.674  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        7.460   0.437  -0.122  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        8.741  -0.017   0.221  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        9.101  -1.345  -0.003  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.185  -2.231  -0.566  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.067   1.865   0.162  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        6.905  -1.790  -0.904  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        5.744   2.263  -0.511  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 8