REMARK  Name = BDB001451
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.159   0.086  -3.241  0.00  0.00    +0.138 C 
ATOM      2  N   LIG    1        0.892   0.194  -1.811  0.00  0.00    -0.272 N 
ATOM      3  C   LIG    1        1.839  -0.358  -0.892  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        1.497  -0.869   0.373  0.00  0.00    +0.059 A 
ATOM      5  C   LIG    1        2.486  -1.384   1.234  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        3.821  -1.386   0.848  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        4.181  -0.901  -0.402  0.00  0.00    +0.016 A 
ATOM      8  I   LIG    1        5.273  -2.127   2.132  0.00  0.00    -0.044 I 
ATOM      9  C   LIG    1        0.103  -1.033   0.842  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1       -0.190  -2.088   1.400  0.00  0.00    -0.270 OA
ATOM     11  N   LIG    1       -0.802  -0.001   0.668  0.00  0.00    -0.264 N 
ATOM     12  C   LIG    1       -0.436   1.276   0.053  0.00  0.00    +0.194 C 
ATOM     13  C   LIG    1        3.198  -0.402  -1.264  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -0.176   1.014  -1.438  0.00  0.00    +0.245 C 
ATOM     15  O   LIG    1       -0.883   1.585  -2.279  0.00  0.00    -0.273 OA
ENDROOT
BRANCH  12  16
ATOM     16  C   LIG    1        0.626   2.091   0.793  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1        0.775   1.987   2.189  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        1.732   2.745   2.869  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        2.536   3.636   2.167  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1        3.716   4.567   3.002  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1        2.382   3.786   0.792  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        1.425   3.027   0.111  0.00  0.00    +0.007 A 
ENDBRANCH  12  16
BRANCH  11  23
ATOM     23  C   LIG    1       -2.237  -0.272   0.904  0.00  0.00    +0.216 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.835  -1.150  -0.195  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -2.811  -2.553  -0.136  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -3.330  -3.326  -1.178  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -3.873  -2.705  -2.299  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1       -4.505  -3.655  -3.585  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1       -3.900  -1.316  -2.385  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -3.383  -0.544  -1.341  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
BRANCH  23  31
ATOM     31  C   LIG    1       -2.518  -0.664   2.369  0.00  0.00    +0.330 C 
ATOM     32  O   LIG    1       -1.887  -0.278   3.346  0.00  0.00    -0.249 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -3.637  -1.393   2.562  0.00  0.00    -0.479 OA
ATOM     34  H   LIG    1       -3.656  -1.542   3.530  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  23  31
ENDBRANCH  11  23
TORSDOF 5