REMARK  Name = BDB021619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.456   1.079  -0.579  0.00  0.00    +0.021 A 
ATOM      2  C   LIG    1        4.056  -0.251  -0.435  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        2.699  -0.611  -0.264  0.00  0.00    +0.133 A 
ATOM      4  O   LIG    1        2.586  -1.966  -0.145  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1        1.406  -2.482   0.445  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1        0.228  -2.266  -0.478  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1       -0.436  -1.012  -0.170  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        0.212   0.220  -0.153  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1       -0.468   1.249  -0.071  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        1.704   0.375  -0.264  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1        2.130   1.717  -0.406  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        3.476   2.066  -0.558  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  14
ATOM     13  O   LIG    1        6.145   2.692  -0.824  0.00  0.00    -0.292 OA
ATOM     14  C   LIG    1        5.885   1.492  -0.752  0.00  0.00    +0.166 C 
BRANCH  14  15
ATOM     15  C   LIG    1        6.976   0.422  -0.815  0.00  0.00    +0.060 C 
ATOM     16  C   LIG    1        7.319  -0.090   0.594  0.00  0.00    +0.011 C 
ATOM     17  C   LIG    1        8.817   0.133   0.778  0.00  0.00    +0.001 C 
ATOM     18  C   LIG    1        9.141   1.283  -0.157  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1        8.295   0.969  -1.382  0.00  0.00    +0.011 C 
ENDBRANCH  14  15
ENDBRANCH   1  14
BRANCH   7  20
ATOM     20  C   LIG    1       -1.914  -1.025  -0.135  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.542  -0.683  -1.504  0.00  0.00    +0.146 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -2.522   0.724  -1.778  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -1.821   1.121  -1.215  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -3.990  -1.214  -1.636  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.892  -0.951  -0.493  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -5.138   0.501  -0.329  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -6.227   0.830   0.676  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -7.171  -0.134   1.069  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -8.179   0.208   1.980  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -8.266   1.507   2.479  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.345   2.471   2.077  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -7.056  -1.544   0.556  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -6.332   2.136   1.178  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -6.179  -1.639  -0.699  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 7