REMARK  Name = BDB035094
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.645  -0.098  -0.436  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        0.901  -1.307  -0.567  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1       -0.476  -1.205  -0.495  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.983  -2.481  -0.608  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.118  -3.292  -0.763  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.149   0.023  -0.329  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.453   1.120  -0.212  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.279  -2.560  -0.748  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.922   1.030  -0.259  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        5.233   0.409  -0.073  0.00  0.00    +0.077 A 
ATOM     11  N   LIG    1        5.186  -0.337  -1.185  0.00  0.00    -0.175 NA
ATOM     12  N   LIG    1        3.869  -0.572  -1.378  0.00  0.00    -0.266 N 
ATOM     13  C   LIG    1        3.492  -1.320  -2.557  0.00  0.00    +0.173 C 
ATOM     14  C   LIG    1        3.067   0.013  -0.422  0.00  0.00    +0.074 A 
ATOM     15  C   LIG    1        3.940   0.663   0.431  0.00  0.00    +0.054 A 
BRANCH  10  16
ATOM     16  C   LIG    1        6.544   0.884   0.475  0.00  0.00    +0.138 C 
BRANCH  16  18
ATOM     17  C   LIG    1        8.271   2.524   0.138  0.00  0.00    +0.101 C 
ATOM     18  N   LIG    1        6.928   2.110  -0.235  0.00  0.00    -0.314 NA
ATOM     19  H   LIG    1        6.904   1.891  -1.234  0.00  0.00    +0.122 HD
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  14
BRANCH   5  20
ATOM     20  C   LIG    1        0.126  -4.714  -0.925  0.00  0.00    +0.121 C 
ATOM     21  N   LIG    1        0.093  -5.867  -1.061  0.00  0.00    -0.189 NA
ENDBRANCH   5  20
BRANCH   6  22
ATOM     22  N   LIG    1       -2.527   0.022  -0.292  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -3.004  -0.752  -0.740  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.277   1.264  -0.363  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.721   0.992  -0.054  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.163   0.699   1.232  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.398   0.547   2.494  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -5.561   0.537   3.487  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -6.766   0.131   2.797  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -6.500   0.418   1.484  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.452   0.409   0.485  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -7.034   0.706  -0.812  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -5.686   0.991  -1.070  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -5.319   1.249  -2.333  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 7