REMARK  Name = BDB017400
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.959   1.278   0.046  0.00  0.00    +0.161 C 
ATOM      2  C   LIG    1       -1.823   0.471  -0.609  0.00  0.00    +0.238 C 
ATOM      3  O   LIG    1       -1.809  -0.763  -0.612  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.791   1.213  -1.123  0.00  0.00    -0.263 N 
ATOM      5  C   LIG    1       -0.824   2.630  -1.407  0.00  0.00    +0.209 C 
ATOM      6  C   LIG    1        0.606   2.955  -1.827  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1        1.040   1.679  -2.543  0.00  0.00    +0.036 C 
ATOM      8  O   LIG    1       -1.254   3.458  -0.337  0.00  0.00    -0.359 OA
ATOM      9  C   LIG    1       -1.194   2.900   0.967  0.00  0.00    +0.164 C 
ATOM     10  C   LIG    1        0.380   0.575  -1.712  0.00  0.00    +0.164 C 
ATOM     11  C   LIG    1       -2.427   2.042   1.259  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -5.025   0.029  -0.436  0.00  0.00    +0.230 C 
ATOM     13  N   LIG    1       -4.005   0.338   0.446  0.00  0.00    -0.303 N 
ATOM     14  H   LIG    1       -3.682  -0.432   1.019  0.00  0.00    +0.149 HD
ATOM     15  O   LIG    1       -5.263   0.693  -1.443  0.00  0.00    -0.274 OA
BRANCH  12  16
ATOM     16  C   LIG    1       -5.805  -1.260  -0.097  0.00  0.00    +0.137 C 
ATOM     17  C   LIG    1       -6.288  -1.264   1.352  0.00  0.00    +0.034 C 
BRANCH  16  19
ATOM     18  C   LIG    1       -4.795  -2.705  -1.766  0.00  0.00    +0.101 C 
ATOM     19  N   LIG    1       -4.964  -2.454  -0.337  0.00  0.00    -0.309 NA
ATOM     20  H   LIG    1       -4.036  -2.314   0.065  0.00  0.00    +0.122 HD
ENDBRANCH  16  19
ENDBRANCH  12  16
ENDBRANCH   1  13
BRANCH  10  21
ATOM     21  C   LIG    1        1.353   0.058  -0.631  0.00  0.00    +0.234 C 
ATOM     22  N   LIG    1        2.275  -0.853  -1.115  0.00  0.00    -0.307 N 
ATOM     23  H   LIG    1        2.099  -1.277  -2.015  0.00  0.00    +0.149 HD
ATOM     24  O   LIG    1        1.340   0.466   0.527  0.00  0.00    -0.274 OA
BRANCH  22  25
ATOM     25  C   LIG    1        3.292  -1.487  -0.282  0.00  0.00    +0.103 C 
ATOM     26  C   LIG    1        4.352  -0.517   0.217  0.00  0.00    -0.024 A 
ATOM     27  C   LIG    1        4.901  -0.645   1.510  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        5.895   0.252   1.934  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        6.372   1.243   1.079  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.860   1.353  -0.209  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        4.407  -1.693   2.476  0.00  0.00    +0.035 C 
ATOM     32  C   LIG    1        3.729  -2.868   1.778  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1        4.863   0.477  -0.638  0.00  0.00    +0.006 A 
ATOM     34  C   LIG    1        2.663  -2.359   0.818  0.00  0.00    +0.027 C 
ENDBRANCH  22  25
ENDBRANCH  10  21
TORSDOF 5