REMARK  Name = BDB031109
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.623   0.989  -1.541  0.00  0.00    +0.109 A 
ATOM      2  N   LIG    1        1.747   0.254  -1.718  0.00  0.00    -0.228 NA
ATOM      3  C   LIG    1        2.890   0.937  -1.919  0.00  0.00    +0.138 A 
ATOM      4  C   LIG    1        2.887   2.333  -1.964  0.00  0.00    +0.154 A 
ATOM      5  N   LIG    1        1.774   3.087  -1.790  0.00  0.00    -0.258 NA
ATOM      6  C   LIG    1        0.639   2.378  -1.591  0.00  0.00    +0.140 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -3.661   0.298   1.399  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1       -3.623  -0.565   0.360  0.00  0.00    +0.092 A 
ATOM      9  C   LIG    1       -2.518  -0.557  -0.539  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1       -1.509   0.381  -0.322  0.00  0.00    -0.298 N 
ATOM     11  C   LIG    1       -0.582   0.210  -1.337  0.00  0.00    +0.093 A 
ATOM     12  C   LIG    1       -1.054  -0.875  -2.055  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1       -1.529   1.264   0.760  0.00  0.00    +0.097 A 
ATOM     14  N   LIG    1       -2.258  -1.320  -1.578  0.00  0.00    -0.235 NA
ATOM     15  C   LIG    1       -2.568   1.240   1.611  0.00  0.00    +0.064 A 
BRANCH   7  16
ATOM     16  O   LIG    1       -4.639   0.424   2.351  0.00  0.00    -0.489 OA
BRANCH  16  18
ATOM     17  C   LIG    1       -6.843   0.116   1.389  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -5.778  -0.443   2.328  0.00  0.00    +0.167 C 
ATOM     19  C   LIG    1       -6.317  -0.501   3.755  0.00  0.00    +0.051 C 
ENDBRANCH  16  18
ENDBRANCH   7  16
ENDBRANCH   1  11
BRANCH   3  20
ATOM     20  N   LIG    1        4.039   0.167  -2.107  0.00  0.00    -0.321 N 
ATOM     21  H   LIG    1        3.711  -0.803  -2.030  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        5.105   0.393  -1.108  0.00  0.00    +0.121 C 
ATOM     23  C   LIG    1        6.411  -0.251  -1.582  0.00  0.00    +0.201 C 
ATOM     24  F   LIG    1        7.457   0.435  -1.032  0.00  0.00    -0.242 F 
ATOM     25  C   LIG    1        6.396  -1.665  -0.997  0.00  0.00    +0.119 C 
ATOM     26  N   LIG    1        5.185  -1.774  -0.167  0.00  0.00    -0.311 NA
ATOM     27  H   LIG    1        5.368  -2.328   0.670  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1        4.840  -0.390   0.187  0.00  0.00    +0.106 C 
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 5