REMARK  Name = BDB040383
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.122  -1.768  -0.485  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.307  -1.301  -0.500  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        2.161  -1.565   0.572  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        3.489  -1.111   0.565  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1        4.414  -1.482   1.982  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        4.011  -0.378  -0.523  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.122  -0.092  -1.582  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        3.580   0.865  -2.952  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        1.796  -0.547  -1.569  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1        5.458   0.109  -0.568  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        6.484  -0.994  -0.321  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        6.345  -2.146  -0.728  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1        7.641  -0.621   0.322  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1        8.319  -1.357   0.467  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        8.076   0.650   0.595  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        9.212   0.856   1.014  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        7.124   1.774   0.269  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        5.678   1.313   0.356  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -2.369  -0.849  -0.145  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1       -0.998  -0.708  -0.042  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -0.619  -0.026   0.600  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -2.861  -1.843  -0.675  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -2.674   1.675   0.024  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1       -3.215   0.300   0.481  0.00  0.00    +0.066 C 
ATOM     25  C   LIG    1       -3.031   0.205   2.012  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -4.696   0.209   0.033  0.00  0.00    -0.031 A 
ATOM     27  C   LIG    1       -5.760   0.116   0.960  0.00  0.00    +0.036 A 
ATOM     28  C   LIG    1       -7.081   0.053   0.490  0.00  0.00    +0.110 A 
ATOM     29  C   LIG    1       -7.311   0.083  -0.874  0.00  0.00    +0.155 A 
ATOM     30  O   LIG    1       -8.660   0.009  -1.072  0.00  0.00    -0.442 OA
ATOM     31  C   LIG    1       -9.163  -0.060   0.193  0.00  0.00    +0.309 A 
ATOM     32  C   LIG    1       -6.321   0.171  -1.838  0.00  0.00    +0.049 A 
ATOM     33  N   LIG    1       -8.274  -0.034   1.163  0.00  0.00    -0.216 NA
ATOM     34  C   LIG    1       -5.007   0.234  -1.350  0.00  0.00    +0.008 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 5