REMARK  Name = BDB058073
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.100  -0.813  -1.073  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.598   0.494  -1.462  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        2.029   0.032  -1.654  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        2.194  -1.070  -0.610  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.877  -1.664  -0.435  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -4.460   0.779   0.386  0.00  0.00    +0.132 A 
ATOM      7  C   LIG    1       -3.239   0.096   0.542  0.00  0.00    +0.059 A 
ATOM      8  C   LIG    1       -2.616  -0.667   1.569  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -1.389  -1.084   1.099  0.00  0.00    +0.091 A 
ATOM     10  N   LIG    1       -1.236  -0.602  -0.179  0.00  0.00    -0.303 N 
ATOM     11  C   LIG    1       -2.354   0.124  -0.528  0.00  0.00    +0.148 A 
ATOM     12  N   LIG    1       -2.537   0.755  -1.702  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1       -3.733   1.371  -1.743  0.00  0.00    +0.225 A 
ATOM     14  N   LIG    1       -4.682   1.417  -0.789  0.00  0.00    -0.220 NA
BRANCH   6  15
ATOM     15  N   LIG    1       -5.418   0.822   1.408  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1       -5.334  -0.018   1.980  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -6.791   1.037   0.953  0.00  0.00    +0.173 C 
BRANCH  17  19
ATOM     18  O   LIG    1       -7.000  -1.367   0.642  0.00  0.00    -0.299 OA
ATOM     19  C   LIG    1       -7.393  -0.231   0.378  0.00  0.00    +0.242 C 
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   2  20
ATOM     20  O   LIG    1        0.106   1.077  -2.677  0.00  0.00    -0.385 OA
ATOM     21  H   LIG    1       -0.862   1.184  -2.546  0.00  0.00    +0.210 HD
ENDBRANCH   2  20
BRANCH   3  22
ATOM     22  O   LIG    1        2.158  -0.530  -2.973  0.00  0.00    -0.386 OA
ATOM     23  H   LIG    1        1.645   0.073  -3.552  0.00  0.00    +0.210 HD
ENDBRANCH   3  22
BRANCH   4  24
ATOM     24  C   LIG    1        2.690  -0.590   0.773  0.00  0.00    +0.176 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.189  -0.364   0.816  0.00  0.00    -0.017 A 
ATOM     26  C   LIG    1        5.044  -1.446   1.083  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        6.429  -1.269   1.116  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        6.973  -0.009   0.880  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1        8.678   0.209   0.922  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1        6.142   1.075   0.609  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        4.756   0.898   0.575  0.00  0.00    +0.007 A 
ENDBRANCH  24  25
BRANCH  24  32
ATOM     32  O   LIG    1        1.998   0.590   1.191  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1        2.339   0.809   2.078  0.00  0.00    +0.210 HD
ENDBRANCH  24  32
ENDBRANCH   4  24
TORSDOF 9