REMARK  Name = BDB040530
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.215   0.389   2.130  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.581   0.591   1.532  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        1.931   1.798   0.925  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        3.195   1.970   0.344  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1        3.478   3.506  -0.407  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        4.160   0.939   0.352  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.777  -0.286   0.943  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        4.809  -1.677   0.978  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        2.511  -0.452   1.521  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1        5.536   1.154  -0.273  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        6.694   0.807   0.660  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        6.679   1.044   1.867  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1        7.821   0.287   0.070  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1        8.585   0.077   0.698  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        8.125   0.253  -1.266  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        9.252  -0.043  -1.653  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        7.038   0.690  -2.217  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        5.658   0.445  -1.627  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -0.989  -1.499   1.072  0.00  0.00    +0.226 C 
ATOM     20  N   LIG    1       -0.689  -0.155   1.148  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.195   0.484   0.540  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -0.491  -2.313   1.849  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -2.203  -3.423   0.007  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1       -1.912  -1.911  -0.092  0.00  0.00    +0.101 C 
ATOM     25  C   LIG    1       -1.174  -1.663  -1.423  0.00  0.00    +0.029 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -3.199  -1.092  -0.054  0.00  0.00    +0.143 A 
ATOM     27  N   LIG    1       -4.361  -1.708   0.221  0.00  0.00    -0.239 NA
ATOM     28  C   LIG    1       -5.475  -0.945   0.239  0.00  0.00    +0.118 A 
ATOM     29  C   LIG    1       -5.521   0.418  -0.007  0.00  0.00    -0.004 A 
ATOM     30  C   LIG    1       -4.264   0.936  -0.279  0.00  0.00    +0.118 A 
ATOM     31  N   LIG    1       -3.111   0.232  -0.307  0.00  0.00    -0.239 NA
BRANCH  29  32
ATOM     32  C   LIG    1       -6.831   1.287   0.015  0.00  0.00    +0.073 C 
ATOM     33  C   LIG    1       -8.055   0.825  -0.793  0.00  0.00    +0.170 C 
ATOM     34  O   LIG    1       -8.921   0.965   0.356  0.00  0.00    -0.378 OA
ATOM     35  C   LIG    1       -7.782   1.188   1.218  0.00  0.00    +0.170 C 
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 6