REMARK  Name = BDB047776
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.808   2.693   0.542  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1  10
ATOM      2  C   LIG    1       -3.200   1.013  -0.450  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -4.415   0.335  -0.329  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1       -5.351   0.543   0.672  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -6.403  -0.362   0.363  0.00  0.00    +0.193 A 
ATOM      6  N   LIG    1       -6.117  -1.071  -0.745  0.00  0.00    -0.073 NA
ATOM      7  C   LIG    1       -5.088   1.504   1.660  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -3.881   2.205   1.593  0.00  0.00    +0.047 A 
ATOM      9  O   LIG    1       -4.875  -0.632  -1.169  0.00  0.00    -0.354 OA
ATOM     10  C   LIG    1       -2.959   1.948   0.574  0.00  0.00    +0.127 A 
BRANCH   5  11
ATOM     11  C   LIG    1       -7.667  -0.563   1.123  0.00  0.00    +0.438 C 
ATOM     12  F   LIG    1       -8.083   0.585   1.721  0.00  0.00    -0.164 F 
ATOM     13  F   LIG    1       -7.523  -1.478   2.123  0.00  0.00    -0.164 F 
ATOM     14  F   LIG    1       -8.701  -0.984   0.355  0.00  0.00    -0.164 F 
ENDBRANCH   5  11
BRANCH   2  15
ATOM     15  C   LIG    1       -2.220   0.749  -1.560  0.00  0.00    +0.042 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -0.314  -0.690  -2.375  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -1.331  -0.463  -1.265  0.00  0.00    +0.001 C 
ENDBRANCH  15  17
ENDBRANCH   2  15
ENDBRANCH   1  10
BRANCH   1  18
ATOM     18  C   LIG    1       -0.856   2.181   1.488  0.00  0.00    +0.230 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.524   2.660   1.066  0.00  0.00    +0.060 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.626   2.133   1.982  0.00  0.00    +0.108 C 
BRANCH  20  21
ATOM     21  N   LIG    1        1.802   0.683   1.847  0.00  0.00    -0.333 N 
ATOM     22  C   LIG    1        1.322  -0.147   2.949  0.00  0.00    +0.129 C 
BRANCH  21  23
ATOM     23  C   LIG    1        2.646   0.139   0.881  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1        2.991  -1.226   0.871  0.00  0.00    +0.026 A 
ATOM     25  C   LIG    1        3.848  -1.806  -0.095  0.00  0.00    -0.045 A 
ATOM     26  C   LIG    1        4.146  -3.278  -0.006  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        4.401  -0.997  -1.101  0.00  0.00    -0.034 A 
ATOM     28  C   LIG    1        4.048   0.357  -1.129  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1        3.193   0.904  -0.159  0.00  0.00    +0.023 A 
BRANCH  27  30
ATOM     30  C   LIG    1        5.348  -1.527  -2.154  0.00  0.00    +0.155 C 
BRANCH  30  31
ATOM     31  C   LIG    1        4.679  -2.121  -3.377  0.00  0.00    +0.309 C 
ATOM     32  O   LIG    1        3.482  -2.278  -3.546  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1        5.583  -2.498  -4.319  0.00  0.00    -0.480 OA
ATOM     34  H   LIG    1        6.508  -2.324  -4.072  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 12