REMARK  Name = BDB026803
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.029   1.475   0.299  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.677   2.823   0.374  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.524   3.156   1.444  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -2.157   4.400   1.489  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -1.941   5.332   0.477  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -1.086   5.026  -0.579  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -0.453   3.782  -0.628  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1       -0.854  -0.212   1.798  0.00  0.00    -0.290 OA
ATOM      9  C   LIG    1       -0.921   0.304   0.677  0.00  0.00    +0.186 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -1.885  -0.181  -0.322  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -2.762  -1.313  -0.200  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -3.502  -1.405  -1.379  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.458  -2.404  -1.602  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -4.667  -3.341  -0.587  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -3.947  -3.280   0.602  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -3.102  -0.371  -2.189  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1       -3.482  -0.185  -3.108  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -2.995  -2.274   0.808  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -2.128   0.366  -1.571  0.00  0.00    +0.095 A 
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   1  20
ATOM     20  N   LIG    1        1.213   1.502   1.195  0.00  0.00    -0.303 NA
ATOM     21  H   LIG    1        0.907   1.179   2.117  0.00  0.00    +0.123 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.340   0.690   0.728  0.00  0.00    +0.086 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.143  -0.831   0.824  0.00  0.00    +0.050 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.394  -1.579   0.425  0.00  0.00    -0.046 A 
ATOM     25  C   LIG    1        4.382  -1.865   1.377  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        5.547  -2.542   1.006  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        5.729  -2.931  -0.319  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1        7.163  -3.763  -0.776  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        4.757  -2.649  -1.276  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        3.592  -1.973  -0.906  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7