REMARK  Name = BDB024586
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.151  -2.226  -0.197  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.516  -1.044   0.225  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.318   0.190   0.349  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.372   0.947  -0.985  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.848   1.062   1.509  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.398   1.450   1.330  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.547   0.252   1.019  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.151   0.330   1.238  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.416   1.381   1.715  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.855   1.003   1.703  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.943  -0.325   1.317  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.327  -0.744   0.955  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.827  -1.932   0.425  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.209  -2.002   0.193  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.091  -0.946   0.481  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        4.658  -3.346  -0.257  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.070  -1.304   1.289  0.00  0.00    +0.095 C 
ATOM     18  C   LIG    1       -3.002  -1.250   0.032  0.00  0.00    -0.006 C 
ATOM     19  C   LIG    1       -3.350  -2.669  -0.468  0.00  0.00    +0.024 C 
ATOM     20  C   LIG    1       -4.388  -2.605  -1.588  0.00  0.00    +0.081 C 
ATOM     21  N   LIG    1       -3.930  -1.763  -2.691  0.00  0.00    -0.316 NA
ATOM     22  H   LIG    1       -4.646  -1.738  -3.418  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -3.655  -0.398  -2.241  0.00  0.00    +0.081 C 
ATOM     24  C   LIG    1       -2.576  -0.385  -1.160  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -4.094  -0.625   0.956  0.00  0.00    +0.011 C 
ATOM     26  C   LIG    1       -3.290  -1.082   2.186  0.00  0.00    +0.026 C 
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        7.156  -3.181  -0.987  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        6.458  -2.013  -0.550  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -1.952   1.964   2.058  0.00  0.00    +0.109 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.424   2.859   0.925  0.00  0.00    -0.040 A 
ATOM     31  C   LIG    1       -1.536   3.396  -0.020  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -1.994   4.237  -1.037  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.344   4.570  -1.113  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.234   4.072  -0.166  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -3.776   3.231   0.851  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 4