REMARK  Name = BDB052818
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.218   0.579  -0.821  0.00  0.00    +0.041 A 
ATOM      2  N   LIG    1       -0.952   1.447  -0.016  0.00  0.00    -0.312 N 
ATOM      3  C   LIG    1       -0.069   2.263   0.696  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1        1.229   1.942   0.287  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1        2.318   2.679   0.810  0.00  0.00    +0.056 A 
ATOM      6  C   LIG    1        2.076   3.698   1.729  0.00  0.00    +0.118 A 
ATOM      7  C   LIG    1        0.789   4.012   2.128  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -0.303   3.313   1.608  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        1.132   0.871  -0.649  0.00  0.00    +0.066 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        2.222   0.196  -1.350  0.00  0.00    +0.249 C 
ATOM     11  N   LIG    1        3.179  -0.453  -0.575  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        4.293  -1.104  -1.265  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        5.460  -1.408  -0.312  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        5.100  -2.244   0.846  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        5.698  -1.992   1.633  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        3.684  -2.109   1.221  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        3.039  -0.760   0.853  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        2.268   0.201  -2.578  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -2.370   1.506   0.091  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -3.159   1.595  -1.060  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.549   1.644  -0.945  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.150   1.605   0.312  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.364   1.523   1.461  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.973   1.477   1.355  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   6  25
ATOM     25  O   LIG    1        3.099   4.429   2.258  0.00  0.00    -0.507 OA
ATOM     26  H   LIG    1        3.926   4.169   1.820  0.00  0.00    +0.292 HD
ENDBRANCH   6  25
BRANCH   1  27
ATOM     27  C   LIG    1       -0.814  -0.532  -1.656  0.00  0.00    +0.090 C 
BRANCH  27  30
ATOM     28  C   LIG    1       -3.223  -1.876  -2.857  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1       -2.747  -2.201  -1.469  0.00  0.00    -0.012 A 
ATOM     30  C   LIG    1       -1.621  -1.572  -0.890  0.00  0.00    -0.036 A 
ATOM     31  C   LIG    1       -1.211  -1.980   0.397  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -1.927  -2.934   1.121  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1       -3.060  -3.514   0.565  0.00  0.00    +0.038 A 
ATOM     34  C   LIG    1       -3.457  -3.148  -0.716  0.00  0.00    +0.127 A 
ATOM     35  F   LIG    1       -4.546  -3.736  -1.234  0.00  0.00    -0.205 F 
ENDBRANCH  27  30
ENDBRANCH   1  27
TORSDOF 5