REMARK  Name = BDB040489
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.503   2.143  -0.284  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.736   1.471   0.245  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.167   1.677   1.554  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.304   1.019   2.045  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -2.743   1.409   3.678  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.049   0.111   1.252  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.607  -0.067  -0.076  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -3.405  -1.075  -1.230  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -1.470   0.598  -0.562  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.265  -0.589   1.862  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -4.471  -2.043   1.464  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -3.622  -2.908   1.672  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -5.657  -2.361   0.848  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -5.767  -3.333   0.592  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -6.555  -1.502   0.268  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -7.468  -1.922  -0.438  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -6.316  -0.027   0.479  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.559   0.229   1.768  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        2.047   0.653  -1.524  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1        1.597   1.200  -0.337  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.992   0.888   0.539  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.563   0.994  -2.605  0.00  0.00    -0.275 OA
BRANCH  19  26
ATOM     23  O   LIG    1        2.222  -3.068  -3.205  0.00  0.00    -0.297 OA
ATOM     24  C   LIG    1        2.715  -2.218  -2.496  0.00  0.00    +0.136 C 
ATOM     25  C   LIG    1        3.698  -1.062  -2.734  0.00  0.00    +0.095 C 
ATOM     26  C   LIG    1        3.184  -0.460  -1.357  0.00  0.00    +0.085 C 
ATOM     27  C   LIG    1        2.604  -1.887  -1.001  0.00  0.00    +0.095 C 
BRANCH  26  28
ATOM     28  C   LIG    1        4.353   0.138  -0.412  0.00  0.00    -0.031 A 
ATOM     29  C   LIG    1        4.546  -0.278   0.924  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1        5.557   0.259   1.726  0.00  0.00    +0.038 A 
ATOM     31  C   LIG    1        6.400   1.230   1.208  0.00  0.00    +0.123 A 
ATOM     32  F   LIG    1        7.367   1.747   1.976  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1        6.249   1.672  -0.097  0.00  0.00    +0.038 A 
ATOM     34  C   LIG    1        5.237   1.131  -0.893  0.00  0.00    +0.007 A 
ENDBRANCH  26  28
ENDBRANCH  19  26
ENDBRANCH   1  20
TORSDOF 5