REMARK  Name = BDB062855
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.061   0.205  -0.053  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        0.060   0.299   0.909  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -0.025   1.203   1.735  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -0.958  -0.760   0.973  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -2.227  -0.597   0.439  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -2.893   0.495  -0.253  0.00  0.00    -0.006 A 
ATOM      7  C   LIG    1       -4.194   0.093  -0.603  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -4.386  -1.287  -0.119  0.00  0.00    +0.194 C 
ATOM      9  O   LIG    1       -5.380  -1.970  -0.240  0.00  0.00    -0.287 OA
ATOM     10  C   LIG    1       -5.094   0.899  -1.275  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -4.667   2.183  -1.609  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.374   2.617  -1.263  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -2.482   1.776  -0.581  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1       -3.123  -1.678   0.540  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -2.823  -2.880   1.159  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -1.554  -3.013   1.718  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -0.627  -1.960   1.631  0.00  0.00    +0.014 A 
ENDBRANCH   2   4
BRANCH   1  18
ATOM     18  C   LIG    1        1.120  -0.827  -1.103  0.00  0.00    +0.228 C 
BRANCH  18  20
ATOM     19  O   LIG    1        0.381  -1.169  -3.403  0.00  0.00    -0.249 OA
ATOM     20  C   LIG    1        0.472  -0.440  -2.427  0.00  0.00    +0.322 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -0.013   0.816  -2.481  0.00  0.00    -0.480 OA
ATOM     22  H   LIG    1       -0.416   0.886  -3.371  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  18
BRANCH   1  23
ATOM     23  C   LIG    1        2.069   1.262  -0.105  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.384   0.811   0.488  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        4.495   0.562  -0.330  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        5.702   0.135   0.226  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.811  -0.047   1.604  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.715   0.199   2.427  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        3.507   0.626   1.873  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 6