REMARK  Name = BDB017399
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.649  -0.138   0.995  0.00  0.00    +0.161 C 
ATOM      2  C   LIG    1        1.161  -0.409   0.719  0.00  0.00    +0.238 C 
ATOM      3  O   LIG    1        0.792  -1.224  -0.131  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.270   0.334   1.452  0.00  0.00    -0.263 N 
ATOM      5  C   LIG    1        0.578   1.077   2.652  0.00  0.00    +0.209 C 
ATOM      6  C   LIG    1       -0.731   1.782   2.994  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1       -1.780   0.768   2.546  0.00  0.00    +0.036 C 
ATOM      8  O   LIG    1        1.645   2.006   2.546  0.00  0.00    -0.359 OA
ATOM      9  C   LIG    1        2.066   2.353   1.235  0.00  0.00    +0.164 C 
ATOM     10  C   LIG    1       -1.169   0.189   1.267  0.00  0.00    +0.164 C 
ATOM     11  C   LIG    1        3.020   1.309   0.659  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1        4.714  -1.455   0.537  0.00  0.00    +0.230 C 
ATOM     13  N   LIG    1        3.432  -1.078   0.196  0.00  0.00    -0.303 N 
ATOM     14  H   LIG    1        2.958  -1.504  -0.595  0.00  0.00    +0.149 HD
ATOM     15  O   LIG    1        5.268  -1.028   1.550  0.00  0.00    -0.274 OA
BRANCH  12  16
ATOM     16  C   LIG    1        5.334  -2.500  -0.421  0.00  0.00    +0.137 C 
ATOM     17  C   LIG    1        5.234  -3.892   0.205  0.00  0.00    +0.034 C 
BRANCH  16  19
ATOM     18  C   LIG    1        7.732  -2.212   0.132  0.00  0.00    +0.101 C 
ATOM     19  N   LIG    1        6.687  -2.116  -0.884  0.00  0.00    -0.309 NA
ATOM     20  H   LIG    1        6.948  -2.724  -1.659  0.00  0.00    +0.122 HD
ENDBRANCH  16  19
ENDBRANCH  12  16
ENDBRANCH   1  13
BRANCH  10  21
ATOM     21  C   LIG    1       -1.670   0.959   0.027  0.00  0.00    +0.234 C 
ATOM     22  N   LIG    1       -2.951   0.618  -0.354  0.00  0.00    -0.307 N 
ATOM     23  H   LIG    1       -3.491  -0.030   0.204  0.00  0.00    +0.149 HD
ATOM     24  O   LIG    1       -1.017   1.825  -0.549  0.00  0.00    -0.274 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -3.620   1.258  -1.478  0.00  0.00    +0.110 C 
ATOM     26  C   LIG    1       -4.705   0.367  -2.043  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1       -5.959   0.894  -2.370  0.00  0.00    +0.125 A 
ATOM     28  C   LIG    1       -6.970   0.065  -2.862  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1       -6.726  -1.294  -3.070  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -5.469  -1.824  -2.792  0.00  0.00    +0.001 A 
ATOM     31  O   LIG    1       -6.290   2.215  -2.215  0.00  0.00    -0.492 OA
ATOM     32  C   LIG    1       -5.163   3.089  -2.106  0.00  0.00    +0.231 C 
ATOM     33  C   LIG    1       -4.461  -0.998  -2.288  0.00  0.00    +0.009 A 
ATOM     34  C   LIG    1       -4.195   2.606  -1.044  0.00  0.00    +0.068 C 
ENDBRANCH  22  25
ENDBRANCH  10  21
TORSDOF 5