REMARK  Name = BDB028511
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.975  -0.712   4.471  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1        0.826  -0.295   3.326  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -0.418  -0.015   2.780  0.00  0.00    -0.286 N 
ATOM      4  C   LIG    1       -1.589  -0.392   3.566  0.00  0.00    +0.110 C 
ATOM      5  C   LIG    1       -2.856  -0.463   2.724  0.00  0.00    +0.032 C 
ATOM      6  C   LIG    1       -3.122   0.897   2.089  0.00  0.00    +0.078 C 
ATOM      7  C   LIG    1       -1.876   1.528   1.450  0.00  0.00    +0.032 C 
ATOM      8  C   LIG    1       -0.631   0.644   1.492  0.00  0.00    +0.110 C 
ATOM      9  N   LIG    1        1.884  -0.070   2.487  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1        1.696  -0.281   1.512  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -4.362   0.939   1.197  0.00  0.00    +0.219 C 
ATOM     12  N   LIG    1       -4.318   0.434  -0.079  0.00  0.00    -0.291 N 
ATOM     13  C   LIG    1       -3.564  -0.707  -0.584  0.00  0.00    +0.102 C 
ATOM     14  C   LIG    1       -4.383  -1.990  -0.278  0.00  0.00    +0.182 C 
ATOM     15  O   LIG    1       -5.677  -1.960  -0.915  0.00  0.00    -0.376 OA
ATOM     16  C   LIG    1       -6.381  -0.727  -0.642  0.00  0.00    +0.182 C 
ATOM     17  C   LIG    1       -3.561  -0.426  -2.093  0.00  0.00    +0.026 C 
ATOM     18  C   LIG    1       -4.853   0.376  -2.337  0.00  0.00    +0.026 C 
ATOM     19  C   LIG    1       -5.491   0.501  -0.947  0.00  0.00    +0.102 C 
ATOM     20  O   LIG    1       -5.389   1.474   1.625  0.00  0.00    -0.275 OA
ENDBRANCH   6  11
BRANCH   9  21
ATOM     21  C   LIG    1        3.226  -0.436   2.891  0.00  0.00    +0.138 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.295   0.033   1.891  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1        5.599  -0.237   2.422  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1        5.676   0.249   3.262  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1        4.178  -0.681   0.520  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1        2.898  -0.453  -0.194  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1        2.841   0.887  -0.821  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1        3.630   1.042  -2.103  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        3.992  -0.079  -2.873  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1        4.692   0.099  -4.074  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        5.011   1.380  -4.521  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        4.638   2.492  -3.771  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        3.688  -1.470  -2.377  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1        3.949   2.325  -2.570  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1        2.666  -1.476  -1.232  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   9  21
TORSDOF 6