REMARK  Name = BDB046068
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.501  -0.047   0.026  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -1.881  -0.075   1.380  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1       -3.140   0.426   1.738  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -4.040   0.948   0.807  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1       -5.234   1.281   1.514  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1       -6.508   1.712   0.969  0.00  0.00    +0.272 A 
ATOM      7  N   LIG    1       -6.609   1.787  -0.407  0.00  0.00    -0.263 N 
ATOM      8  H   LIG    1       -7.551   2.067  -0.672  0.00  0.00    +0.190 HD
ATOM      9  N   LIG    1       -5.593   2.411  -1.183  0.00  0.00    -0.263 N 
ATOM     10  H   LIG    1       -5.970   2.901  -1.993  0.00  0.00    +0.190 HD
ATOM     11  C   LIG    1       -4.465   1.707  -1.564  0.00  0.00    +0.271 A 
ATOM     12  O   LIG    1       -4.084   1.772  -2.731  0.00  0.00    -0.266 OA
ATOM     13  O   LIG    1       -7.502   1.905   1.666  0.00  0.00    -0.266 OA
ATOM     14  C   LIG    1       -4.993   1.029   2.853  0.00  0.00    +0.097 A 
ATOM     15  C   LIG    1       -3.646   1.017  -0.541  0.00  0.00    +0.051 A 
ATOM     16  N   LIG    1       -3.731   0.520   2.977  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1       -3.302   0.227   3.844  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -2.385   0.505  -0.913  0.00  0.00    +0.022 A 
ENDROOT
BRANCH   1  22
ATOM     19  C   LIG    1        2.341  -1.577  -1.186  0.00  0.00    -0.034 A 
ATOM     20  C   LIG    1        1.957  -0.270  -1.510  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        0.710   0.226  -1.117  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1       -0.189  -0.570  -0.391  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1        0.202  -1.880  -0.073  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        1.449  -2.379  -0.466  0.00  0.00    +0.005 A 
BRANCH  19  25
ATOM     25  C   LIG    1        3.681  -2.118  -1.627  0.00  0.00    +0.116 C 
BRANCH  25  26
ATOM     26  N   LIG    1        4.819  -1.302  -1.193  0.00  0.00    -0.312 NA
ATOM     27  H   LIG    1        5.654  -1.628  -1.676  0.00  0.00    +0.122 HD
BRANCH  26  28
ATOM     28  C   LIG    1        5.041  -1.385   0.252  0.00  0.00    +0.081 C 
BRANCH  28  30
ATOM     29  C   LIG    1        6.110   0.924   0.413  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1        6.269  -0.569   0.666  0.00  0.00    +0.012 C 
ENDBRANCH  28  30
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  19  25
ENDBRANCH   1  22
TORSDOF 5