REMARK  Name = BDB009043
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.489  -1.208  -1.035  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.472  -1.511  -0.127  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.704  -2.160  -0.544  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.836  -2.528  -1.888  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.176  -2.236  -2.800  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.332  -1.577  -2.375  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        3.043  -0.069   0.560  0.00  0.00    +0.249 C 
ATOM      8  N   LIG    1        2.679  -0.538  -0.686  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        3.346  -0.404  -1.436  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        2.434  -0.178   1.616  0.00  0.00    -0.270 OA
BRANCH   7  13
ATOM     11  C   LIG    1        3.606   2.415  -1.060  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1        4.632   1.756  -0.186  0.00  0.00    -0.003 A 
ATOM     13  C   LIG    1        4.362   0.611   0.583  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1        5.343   0.061   1.424  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        6.618   0.622   1.476  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        6.912   1.732   0.689  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1        5.926   2.285  -0.127  0.00  0.00    +0.127 A 
ATOM     18  F   LIG    1        6.241   3.357  -0.869  0.00  0.00    -0.205 F 
ENDBRANCH   7  13
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  C   LIG    1       -1.790  -2.485   0.458  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.149  -1.897   0.089  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -3.489  -0.499   0.504  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -2.498   0.348   1.253  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -2.894   1.826   1.333  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -4.378   1.986   1.635  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.231   1.306   0.562  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -4.715  -0.053   0.177  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -5.643  -0.919  -0.591  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -6.759  -0.537  -0.924  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -5.176  -2.167  -0.904  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -5.797  -2.777  -1.425  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -3.958  -2.671  -0.575  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 4