REMARK  Name = BDB007092
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.054   2.021  -0.258  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.759   1.986  -1.401  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        2.146   1.775  -1.258  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1        3.219   1.692  -2.185  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        4.374   1.479  -1.471  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1        4.045   1.417  -0.138  0.00  0.00    -0.342 N 
ATOM      7  C   LIG    1        2.685   1.613   0.023  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        1.884   1.668   1.175  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        0.511   1.878   1.012  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1       -2.121   2.794   0.561  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -1.524   2.235  -0.352  0.00  0.00    +0.244 C 
ATOM     12  N   LIG    1       -2.138   1.752  -1.491  0.00  0.00    -0.308 N 
ATOM     13  H   LIG    1       -1.608   1.149  -2.106  0.00  0.00    +0.149 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -3.588   1.750  -1.626  0.00  0.00    +0.152 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.205   0.376  -1.326  0.00  0.00    +0.228 C 
ATOM     16  O   LIG    1       -3.982   0.044   0.054  0.00  0.00    -0.480 OA
ATOM     17  C   LIG    1       -4.744  -1.025   0.448  0.00  0.00    +0.163 A 
ATOM     18  C   LIG    1       -5.836  -1.498  -0.285  0.00  0.00    +0.162 A 
ATOM     19  C   LIG    1       -6.543  -2.614   0.158  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1       -6.178  -3.239   1.351  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -5.105  -2.749   2.098  0.00  0.00    +0.004 A 
ATOM     22  O   LIG    1       -6.263  -0.917  -1.452  0.00  0.00    -0.485 OA
ATOM     23  C   LIG    1       -4.388  -1.639   1.647  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1       -5.704   0.392  -1.615  0.00  0.00    +0.275 C 
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   1  11
BRANCH   6  25
ATOM     25  C   LIG    1        5.018   1.214   0.930  0.00  0.00    +0.159 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.383  -0.240   1.073  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        6.580  -0.722   0.529  0.00  0.00    +0.131 A 
ATOM     28  F   LIG    1        7.407   0.120  -0.107  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        6.939  -2.060   0.632  0.00  0.00    +0.077 A 
ATOM     30  C   LIG    1        6.085  -2.934   1.286  0.00  0.00    +0.126 A 
ATOM     31  F   LIG    1        6.418  -4.227   1.392  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        4.885  -2.491   1.834  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1        4.531  -1.144   1.727  0.00  0.00    +0.011 A 
ENDBRANCH  25  26
ENDBRANCH   6  25
TORSDOF 5