REMARK  Name = BDB011207
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.180   0.859  -0.410  0.00  0.00    +0.054 A 
ATOM      2  N   LIG    1        1.297   0.433   0.586  0.00  0.00    -0.339 N 
ATOM      3  C   LIG    1        0.040   0.745   0.157  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1       -1.344   0.588   0.668  0.00  0.00    +0.159 C 
ATOM      5  N   LIG    1       -2.090   1.207  -0.468  0.00  0.00    -0.254 N 
ATOM      6  C   LIG    1       -1.234   1.744  -1.461  0.00  0.00    +0.253 C 
ATOM      7  O   LIG    1       -1.492   2.407  -2.451  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        0.095   1.393  -1.038  0.00  0.00    +0.061 A 
ATOM      9  C   LIG    1        1.432   1.487  -1.411  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -3.506   1.359  -0.452  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1       -4.310   1.227  -1.606  0.00  0.00    -0.029 A 
ATOM     12  C   LIG    1       -3.794   0.800  -2.955  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1       -5.700   1.451  -1.512  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1       -6.304   1.743  -0.292  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -5.521   1.816   0.849  0.00  0.00    +0.043 A 
ATOM     16 CL   LIG    1       -6.253   2.160   2.369  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1       -4.141   1.625   0.776  0.00  0.00    +0.043 A 
ENDBRANCH   5  10
BRANCH   4  18
ATOM     18  C   LIG    1       -1.746  -0.854   0.922  0.00  0.00    -0.021 A 
ATOM     19  C   LIG    1       -2.205  -1.239   2.194  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -2.579  -2.561   2.446  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -2.498  -3.511   1.430  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1       -2.955  -5.139   1.744  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1       -2.048  -3.150   0.163  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -1.676  -1.827  -0.090  0.00  0.00    +0.007 A 
ENDBRANCH   4  18
BRANCH   1  26
ATOM     25  C   LIG    1        4.244  -0.507  -0.818  0.00  0.00    +0.129 A 
ATOM     26  C   LIG    1        3.633   0.684  -0.399  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        4.447   1.761  -0.021  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        5.838   1.631  -0.013  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        6.430   0.426  -0.389  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        5.634  -0.646  -0.789  0.00  0.00    +0.046 A 
BRANCH  25  32
ATOM     31  C   LIG    1        3.398  -1.636  -2.629  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1        3.486  -1.585  -1.205  0.00  0.00    -0.494 OA
ENDBRANCH  25  32
ENDBRANCH   1  26
BRANCH   2  33
ATOM     33  C   LIG    1        1.592  -0.192   1.876  0.00  0.00    +0.081 C 
ATOM     34  C   LIG    1        2.578   0.595   2.739  0.00  0.00    +0.030 C 
ATOM     35  C   LIG    1        1.987  -1.661   1.755  0.00  0.00    +0.030 C 
ENDBRANCH   2  33
TORSDOF 5