REMARK  Name = BDB028570
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.762   1.319  -1.976  0.00  0.00    -0.226 OA
ATOM      2  C   LIG    1        0.141   1.515  -0.939  0.00  0.00    +0.403 C 
ATOM      3  N   LIG    1       -1.210   1.268  -0.779  0.00  0.00    -0.267 N 
ATOM      4  C   LIG    1       -1.913   1.511   0.475  0.00  0.00    +0.112 C 
ATOM      5  C   LIG    1       -3.197   0.698   0.583  0.00  0.00    +0.032 C 
ATOM      6  C   LIG    1       -4.154   0.938  -0.599  0.00  0.00    +0.078 C 
ATOM      7  C   LIG    1       -3.410   1.408  -1.864  0.00  0.00    +0.032 C 
ATOM      8  C   LIG    1       -1.997   0.840  -1.931  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -4.944  -0.344  -0.875  0.00  0.00    +0.219 C 
ATOM     10  N   LIG    1       -5.868  -0.726   0.076  0.00  0.00    -0.291 N 
ATOM     11  C   LIG    1       -6.752  -1.862  -0.159  0.00  0.00    +0.102 C 
ATOM     12  C   LIG    1       -7.937  -1.365  -1.024  0.00  0.00    +0.182 C 
ATOM     13  O   LIG    1       -8.676  -0.318  -0.352  0.00  0.00    -0.376 OA
ATOM     14  C   LIG    1       -7.812   0.727   0.141  0.00  0.00    +0.182 C 
ATOM     15  C   LIG    1       -7.223  -2.187   1.265  0.00  0.00    +0.026 C 
ATOM     16  C   LIG    1       -7.138  -0.844   2.013  0.00  0.00    +0.026 C 
ATOM     17  C   LIG    1       -6.630   0.151   0.961  0.00  0.00    +0.102 C 
ATOM     18  O   LIG    1       -4.726  -1.036  -1.869  0.00  0.00    -0.275 OA
ENDBRANCH   6   9
BRANCH   2  19
ATOM     19  O   LIG    1        0.712   2.009   0.195  0.00  0.00    -0.448 OA
BRANCH  19  20
ATOM     20  C   LIG    1        2.118   2.319   0.099  0.00  0.00    +0.266 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.952   1.064   0.392  0.00  0.00    +0.166 C 
BRANCH  21  22
ATOM     22  O   LIG    1        2.633   0.640   1.729  0.00  0.00    -0.387 OA
ATOM     23  H   LIG    1        1.669   0.493   1.738  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        4.461   1.380   0.278  0.00  0.00    +0.119 C 
BRANCH  24  25
ATOM     25  N   LIG    1        5.345   0.205   0.096  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        6.726   0.671  -0.158  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        7.760  -0.432  -0.202  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        7.507  -1.681   0.387  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        8.494  -2.675   0.366  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        9.738  -2.422  -0.211  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       10.000  -1.178  -0.780  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.152  -1.968   0.977  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        9.018  -0.186  -0.773  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        5.337  -0.697   1.259  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 7