REMARK  Name = BDB019709
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.414  -0.495   2.547  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.506  -1.529   1.612  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        1.682  -2.293   1.528  0.00  0.00    -0.030 A 
ATOM      4  C   LIG    1        2.755  -1.993   2.384  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1        2.654  -0.963   3.321  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.479  -0.220   3.411  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  N   LIG    1       -1.271   1.175   1.743  0.00  0.00    -0.291 N 
ATOM      8  C   LIG    1       -0.836   0.270   2.728  0.00  0.00    +0.247 C 
ATOM      9  O   LIG    1       -1.419   0.099   3.798  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     10  C   LIG    1       -1.853   3.244   2.990  0.00  0.00    +0.028 C 
ATOM     11  C   LIG    1       -2.381   2.069   2.156  0.00  0.00    +0.071 C 
ATOM     12  C   LIG    1       -3.268   2.592   1.027  0.00  0.00    +0.028 C 
ENDBRANCH   7  11
BRANCH   7  13
ATOM     13  C   LIG    1       -0.427   1.557   0.597  0.00  0.00    +0.143 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.052   1.318  -0.761  0.00  0.00    -0.029 A 
ATOM     15  C   LIG    1       -1.809   0.168  -1.036  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1       -2.364  -0.026  -2.301  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1       -3.307  -1.431  -2.615  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1       -2.164   0.910  -3.313  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -1.397   2.046  -3.061  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -0.839   2.244  -1.796  0.00  0.00    +0.005 A 
ENDBRANCH  13  14
ENDBRANCH   7  13
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1        1.789  -3.423   0.532  0.00  0.00    +0.139 C 
BRANCH  21  22
ATOM     22  N   LIG    1        2.650  -3.059  -0.576  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        3.562  -2.735  -0.282  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        2.172  -2.376  -1.638  0.00  0.00    +0.176 C 
ATOM     25  N   LIG    1        3.139  -1.988  -2.513  0.00  0.00    -0.316 N 
ATOM     26  H   LIG    1        3.848  -2.695  -2.660  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1        2.458  -1.558  -3.717  0.00  0.00    +0.127 C 
ATOM     28  C   LIG    1        1.034  -1.342  -3.201  0.00  0.00    +0.163 C 
ATOM     29  N   LIG    1        0.937  -2.102  -1.925  0.00  0.00    -0.255 NA
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 7