REMARK  Name = BDB007829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.209  -0.624   0.340  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1        1.050  -1.297   0.462  0.00  0.00    -0.196 NA
ATOM      3  C   LIG    1       -0.116  -0.650   0.232  0.00  0.00    +0.240 A 
ATOM      4  O   LIG    1       -1.201  -1.434   0.480  0.00  0.00    -0.459 OA
ATOM      5  C   LIG    1       -2.435  -1.004  -0.093  0.00  0.00    +0.188 C 
ATOM      6  C   LIG    1       -2.652   0.534  -0.082  0.00  0.00    +0.268 C 
ATOM      7  N   LIG    1       -1.494   1.282  -0.332  0.00  0.00    -0.232 N 
ATOM      8  O   LIG    1       -3.780   1.023   0.001  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -2.458  -1.472  -1.563  0.00  0.00    +0.066 C 
ATOM     10  C   LIG    1       -0.211   0.681  -0.157  0.00  0.00    +0.103 A 
ATOM     11  C   LIG    1        1.004   1.365  -0.249  0.00  0.00    +0.032 A 
ATOM     12  C   LIG    1        2.221   0.709  -0.015  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   7  13
ATOM     13  C   LIG    1       -1.599   2.659  -0.686  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1       -2.372   3.538   0.084  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1       -2.493   4.877  -0.287  0.00  0.00    +0.043 A 
ATOM     16 CL   LIG    1       -3.422   5.953   0.682  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1       -1.864   5.355  -1.435  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -1.116   4.485  -2.225  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1       -0.989   3.143  -1.856  0.00  0.00    +0.024 A 
ENDBRANCH   7  13
BRANCH   5  20
ATOM     20  C   LIG    1       -3.542  -1.688   0.766  0.00  0.00    +0.042 C 
ATOM     21  C   LIG    1       -4.995  -1.615   0.252  0.00  0.00    +0.008 C 
ATOM     22  C   LIG    1       -5.599  -3.003   0.459  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -4.681  -3.690   1.453  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -3.307  -3.183   1.049  0.00  0.00    +0.008 C 
ENDBRANCH   5  20
BRANCH   1  26
ATOM     25  C   LIG    1        4.660  -1.306   0.695  0.00  0.00    +0.235 C 
ATOM     26  N   LIG    1        3.309  -1.434   0.598  0.00  0.00    -0.269 N 
ATOM     27  H   LIG    1        3.018  -2.388   0.784  0.00  0.00    +0.156 HD
ATOM     28  O   LIG    1        5.284  -2.358   0.887  0.00  0.00    -0.274 OA
BRANCH  25  29
ATOM     29  C   LIG    1        5.376   0.049   0.533  0.00  0.00    +0.137 C 
ATOM     30  C   LIG    1        5.646   0.336  -0.943  0.00  0.00    +0.034 C 
BRANCH  29  32
ATOM     31  C   LIG    1        7.742  -0.592   0.965  0.00  0.00    +0.101 C 
ATOM     32  N   LIG    1        6.579   0.175   1.395  0.00  0.00    -0.309 NA
ATOM     33  H   LIG    1        6.849   1.156   1.444  0.00  0.00    +0.122 HD
ENDBRANCH  29  32
ENDBRANCH  25  29
ENDBRANCH   1  26
TORSDOF 5