REMARK  Name = BDB007850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.308   0.306  -0.219  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        2.161   1.007  -0.159  0.00  0.00    -0.233 NA
ATOM      3  C   LIG    1        0.984   0.315  -0.151  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1       -0.264   1.129  -0.257  0.00  0.00    +0.167 C 
ATOM      5  N   LIG    1       -1.485   0.431   0.093  0.00  0.00    -0.276 N 
ATOM      6  C   LIG    1       -1.599  -0.949  -0.055  0.00  0.00    +0.314 C 
ATOM      7  N   LIG    1       -0.403  -1.681  -0.161  0.00  0.00    -0.222 N 
ATOM      8  O   LIG    1       -2.707  -1.491  -0.031  0.00  0.00    -0.252 OA
ATOM      9  C   LIG    1        0.887  -1.068  -0.180  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        2.098  -1.758  -0.303  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        3.317  -1.072  -0.308  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1       -2.695   1.268   0.214  0.00  0.00    +0.078 C 
ATOM     13  C   LIG    1       -3.508   1.325  -1.090  0.00  0.00    +0.023 C 
ATOM     14  C   LIG    1       -4.792   2.122  -0.875  0.00  0.00    +0.008 C 
ATOM     15  C   LIG    1       -5.729   1.478   0.179  0.00  0.00    -0.035 C 
ATOM     16  C   LIG    1       -6.375   2.594   1.023  0.00  0.00    +0.011 C 
ATOM     17  C   LIG    1       -6.858   0.709  -0.535  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1       -4.974   0.488   1.102  0.00  0.00    +0.008 C 
ATOM     19  C   LIG    1       -3.556   0.939   1.452  0.00  0.00    +0.023 C 
ENDBRANCH   5  12
BRANCH   7  20
ATOM     20  C   LIG    1       -0.491  -3.110  -0.133  0.00  0.00    +0.044 A 
ATOM     21  C   LIG    1        0.148  -3.856   0.869  0.00  0.00    +0.044 A 
ATOM     22  C   LIG    1        0.026  -5.246   0.891  0.00  0.00    +0.043 A 
ATOM     23 CL   LIG    1        0.826  -6.151   2.118  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1       -0.740  -5.908  -0.065  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -1.401  -5.173  -1.048  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -1.284  -3.781  -1.075  0.00  0.00    +0.024 A 
ENDBRANCH   7  20
BRANCH   1  28
ATOM     27  C   LIG    1        5.768   0.718  -0.251  0.00  0.00    +0.235 C 
ATOM     28  N   LIG    1        4.447   1.108  -0.203  0.00  0.00    -0.269 N 
ATOM     29  H   LIG    1        4.222   2.091  -0.137  0.00  0.00    +0.156 HD
ATOM     30  O   LIG    1        6.172  -0.440  -0.332  0.00  0.00    -0.274 OA
BRANCH  27  31
ATOM     31  C   LIG    1        6.744   1.919  -0.219  0.00  0.00    +0.137 C 
ATOM     32  C   LIG    1        6.832   2.525  -1.617  0.00  0.00    +0.034 C 
BRANCH  31  34
ATOM     33  C   LIG    1        8.162   1.246   1.638  0.00  0.00    +0.101 C 
ATOM     34  N   LIG    1        8.095   1.494   0.202  0.00  0.00    -0.309 NA
ATOM     35  H   LIG    1        8.304   0.615  -0.283  0.00  0.00    +0.122 HD
ENDBRANCH  31  34
ENDBRANCH  27  31
ENDBRANCH   1  28
TORSDOF 5