REMARK  Name = BDB031564
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.990   0.619  -0.463  0.00  0.00    +0.204 C 
ATOM      2  C   LIG    1        0.846  -0.699  -1.272  0.00  0.00    +0.096 C 
ATOM      3  C   LIG    1        1.312  -1.989  -0.619  0.00  0.00    +0.028 C 
ATOM      4  N   LIG    1       -0.623  -0.466  -1.378  0.00  0.00    -0.288 NA
ATOM      5  C   LIG    1       -0.386   0.971  -1.077  0.00  0.00    +0.131 C 
ENDROOT
BRANCH   1   6
ATOM      6  O   LIG    1        2.077   1.509  -0.819  0.00  0.00    -0.484 OA
BRANCH   6  10
ATOM      7  C   LIG    1        5.878   0.232   0.020  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        5.535   0.479  -1.269  0.00  0.00    -0.247 NA
ATOM      9  C   LIG    1        4.270   0.901  -1.490  0.00  0.00    +0.157 A 
ATOM     10  C   LIG    1        3.328   1.070  -0.487  0.00  0.00    +0.139 A 
ATOM     11  C   LIG    1        3.704   0.829   0.830  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1        5.003   0.396   1.093  0.00  0.00    +0.036 A 
BRANCH   7  16
ATOM     13  C   LIG    1        9.327   0.076   1.568  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        7.930   0.347   1.337  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        7.552   1.210   1.707  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        7.280  -0.238   0.259  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        7.803  -1.076  -0.466  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   6  10
ENDBRANCH   1   6
BRANCH   4  18
ATOM     18  C   LIG    1       -1.420  -1.095  -0.312  0.00  0.00    +0.123 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.891  -0.760  -0.428  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -3.580  -0.195   0.647  0.00  0.00    +0.153 A 
ATOM     21  F   LIG    1       -2.930   0.072   1.792  0.00  0.00    -0.203 F 
ATOM     22  C   LIG    1       -4.940   0.104   0.553  0.00  0.00    +0.104 A 
ATOM     23  C   LIG    1       -5.648  -0.163  -0.626  0.00  0.00    +0.090 A 
ATOM     24  N   LIG    1       -7.018   0.121  -0.763  0.00  0.00    -0.245 NA
ATOM     25  C   LIG    1       -7.638   0.653   0.252  0.00  0.00    +0.103 A 
ATOM     26  C   LIG    1       -6.949   0.979   1.577  0.00  0.00    +0.270 A 
ATOM     27  O   LIG    1       -7.574   1.477   2.500  0.00  0.00    -0.266 OA
ATOM     28  C   LIG    1       -9.100   0.978   0.161  0.00  0.00    +0.071 C 
ATOM     29  C   LIG    1       -4.966  -0.732  -1.702  0.00  0.00    +0.030 A 
ATOM     30  N   LIG    1       -5.614   0.674   1.640  0.00  0.00    -0.317 N 
ATOM     31  H   LIG    1       -5.119   0.873   2.499  0.00  0.00    +0.169 HD
ATOM     32  C   LIG    1       -3.603  -1.032  -1.607  0.00  0.00    +0.010 A 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 5