REMARK  Name = BDB012413
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.927  -1.241  -0.330  0.00  0.00    +0.077 A 
ATOM      2  N   LIG    1        0.220  -0.589  -0.584  0.00  0.00    -0.166 NA
ATOM      3  N   LIG    1        1.164  -1.226   0.158  0.00  0.00    -0.182 N 
ATOM      4  C   LIG    1        0.632  -2.305   0.854  0.00  0.00    +0.217 A 
ATOM      5  C   LIG    1       -0.707  -2.330   0.550  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.528  -0.800   0.179  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        3.405  -1.516   0.948  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        4.692  -1.105   0.963  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        5.156  -0.016   0.251  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        4.246   0.700  -0.527  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        2.907   0.308  -0.569  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1        4.748   1.866  -1.288  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        5.898   2.264  -1.293  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        3.788   2.476  -2.003  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        4.249   3.219  -2.446  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  17
ATOM     16  C   LIG    1       -3.364  -1.842  -0.836  0.00  0.00    +0.022 C 
ATOM     17  C   LIG    1       -2.238  -0.790  -0.974  0.00  0.00    +0.034 C 
ATOM     18  C   LIG    1       -2.032  -0.589  -2.496  0.00  0.00    +0.022 C 
BRANCH  17  19
ATOM     19  C   LIG    1       -2.615   0.494  -0.202  0.00  0.00    -0.036 A 
ATOM     20  C   LIG    1       -2.591   1.765  -0.807  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -2.939   2.919  -0.094  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -3.316   2.824   1.241  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -3.742   4.242   2.115  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -3.345   1.586   1.870  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -2.997   0.434   1.157  0.00  0.00    +0.006 A 
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   4  26
ATOM     26  O   LIG    1        1.338  -3.113   1.647  0.00  0.00    -0.492 OA
ATOM     27  H   LIG    1        2.271  -2.797   1.639  0.00  0.00    +0.294 HD
ENDBRANCH   4  26
TORSDOF 6