REMARK  Name = BDB028415
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.666  -2.207  -1.215  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1        0.929  -3.554  -1.359  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1        2.217  -4.184  -1.548  0.00  0.00    +0.173 C 
ATOM      4  N   LIG    1       -0.169  -4.331  -1.295  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1       -1.156  -3.469  -1.053  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1       -0.704  -2.134  -1.002  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1       -1.445  -0.917  -0.748  0.00  0.00    -0.013 A 
ATOM      8  C   LIG    1       -2.073  -0.732   0.486  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -2.760   0.459   0.756  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -2.834   1.466  -0.216  0.00  0.00    +0.053 A 
ATOM     11  C   LIG    1       -3.581   2.702   0.132  0.00  0.00    +0.273 A 
ATOM     12  N   LIG    1       -4.142   2.749   1.384  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -4.651   3.594   1.627  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -4.070   1.791   2.339  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -3.706   3.645  -0.641  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -2.211   1.284  -1.472  0.00  0.00    -0.037 A 
ATOM     17  C   LIG    1       -2.248   2.318  -2.565  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1       -3.418   0.698   2.067  0.00  0.00    +0.083 A 
ATOM     19  C   LIG    1       -1.520   0.085  -1.719  0.00  0.00    +0.012 A 
BRANCH  18  20
ATOM     20  C   LIG    1       -3.330  -0.390   3.147  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -4.055   0.014   4.359  0.00  0.00    -0.325 NA
ATOM     22  H   LIG    1       -3.639   0.889   4.685  0.00  0.00    +0.119 HD
ATOM     23  H   LIG    1       -4.995   0.298   4.072  0.00  0.00    +0.119 HD
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6   7
BRANCH   1  26
ATOM     24  C   LIG    1        3.056   0.583  -0.219  0.00  0.00    +0.138 A 
ATOM     25  C   LIG    1        2.080  -0.429  -0.114  0.00  0.00    +0.102 A 
ATOM     26  C   LIG    1        1.691  -1.158  -1.258  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        2.282  -0.860  -2.495  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1        3.248   0.138  -2.595  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        3.635   0.856  -1.462  0.00  0.00    +0.047 A 
BRANCH  25  30
ATOM     30  C   LIG    1        1.488  -0.710   1.167  0.00  0.00    +0.103 C 
ATOM     31  N   LIG    1        0.985  -0.948   2.187  0.00  0.00    -0.191 NA
ENDBRANCH  25  30
BRANCH  24  32
ATOM     32  O   LIG    1        3.376   1.239   0.942  0.00  0.00    -0.491 OA
BRANCH  32  34
ATOM     33  C   LIG    1        4.445   2.908   2.263  0.00  0.00    +0.048 C 
ATOM     34  C   LIG    1        4.303   2.321   0.870  0.00  0.00    +0.226 C 
ENDBRANCH  32  34
ENDBRANCH  24  32
ENDBRANCH   1  26
TORSDOF 7