REMARK  Name = BDB012727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.650  -0.804   0.411  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1       -1.275  -2.173   0.244  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        0.104  -2.203   0.444  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        0.857  -3.383   0.357  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        0.171  -4.564   0.059  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -1.208  -4.558  -0.142  0.00  0.00    +0.042 A 
ATOM      7 CL   LIG    1       -2.015  -6.035  -0.508  0.00  0.00    -0.084 Cl
ATOM      8  N   LIG    1        0.448  -0.902   0.710  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -1.949  -3.376  -0.055  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -0.588  -0.043   0.681  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -2.934  -0.392   0.274  0.00  0.00    -0.296 N 
ATOM     12  H   LIG    1       -3.636  -1.114   0.085  0.00  0.00    +0.154 HD
BRANCH  11  14
ATOM     13  C   LIG    1       -4.870   1.114   0.117  0.00  0.00    +0.083 A 
ATOM     14  C   LIG    1       -3.544   0.860   0.521  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1       -2.889   1.944   1.099  0.00  0.00    +0.134 A 
ATOM     16  N   LIG    1       -3.451   3.161   1.336  0.00  0.00    -0.261 NA
ATOM     17  C   LIG    1       -4.738   3.327   0.986  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1       -5.488   2.344   0.376  0.00  0.00    +0.036 A 
BRANCH  13  20
ATOM     19  O   LIG    1       -5.522  -1.134  -0.272  0.00  0.00    -0.245 OA
ATOM     20  C   LIG    1       -5.639   0.046  -0.563  0.00  0.00    +0.339 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -6.424   0.490  -1.566  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -6.254   1.410  -1.847  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  13  20
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   8  23
ATOM     23  C   LIG    1        1.777  -0.389   0.994  0.00  0.00    +0.159 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.472   0.090  -0.283  0.00  0.00    +0.107 C 
BRANCH  24  25
ATOM     25  N   LIG    1        3.865   0.502  -0.052  0.00  0.00    -0.301 NA
ATOM     26  C   LIG    1        3.982   1.724   0.751  0.00  0.00    +0.084 C 
ATOM     27  C   LIG    1        5.411   2.182   0.491  0.00  0.00    +0.017 C 
ATOM     28  C   LIG    1        5.802   1.545  -0.837  0.00  0.00    +0.017 C 
ATOM     29  C   LIG    1        4.552   0.819  -1.308  0.00  0.00    +0.084 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 7