REMARK  Name = BDB023043
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.878  -2.032  -0.231  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.140  -2.909   0.795  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -1.221  -3.066   0.145  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -1.442  -1.687  -0.472  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.135  -1.267  -0.942  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        4.273   2.646   1.504  0.00  0.00    -0.066 NA
ATOM      7  C   LIG    1        3.365   2.145   0.722  0.00  0.00    +0.203 A 
ATOM      8  C   LIG    1        3.014   0.741   0.875  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1        3.468  -0.310   1.705  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        2.749  -1.443   1.363  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1        1.838  -1.109   0.376  0.00  0.00    -0.305 N 
ATOM     12  C   LIG    1        2.042   0.204   0.069  0.00  0.00    +0.125 A 
ATOM     13  N   LIG    1        1.427   0.941  -0.869  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1        0.702   0.556  -1.473  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1        1.807   2.257  -0.976  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1        2.695   2.871  -0.257  0.00  0.00    -0.215 NA
BRANCH   6  17
ATOM     17  O   LIG    1        4.491   4.008   1.235  0.00  0.00    -0.408 OA
ATOM     18  H   LIG    1        5.203   4.233   1.859  0.00  0.00    +0.328 HD
ENDBRANCH   6  17
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  O   LIG    1        0.748  -4.186   1.000  0.00  0.00    -0.385 OA
ATOM     20  H   LIG    1        0.327  -4.589   1.783  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  O   LIG    1       -1.138  -4.056  -0.894  0.00  0.00    -0.386 OA
ATOM     22  H   LIG    1       -0.533  -4.753  -0.571  0.00  0.00    +0.210 HD
ENDBRANCH   3  21
BRANCH   4  23
ATOM     23  C   LIG    1       -1.983  -0.647   0.542  0.00  0.00    +0.176 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.351   0.680  -0.100  0.00  0.00    -0.014 A 
ATOM     25  C   LIG    1       -3.381   0.763  -1.051  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1       -3.705   1.990  -1.626  0.00  0.00    +0.159 A 
ATOM     27  F   LIG    1       -4.690   2.048  -2.533  0.00  0.00    -0.202 F 
ATOM     28  C   LIG    1       -3.018   3.141  -1.264  0.00  0.00    +0.158 A 
ATOM     29  F   LIG    1       -3.332   4.318  -1.821  0.00  0.00    -0.202 F 
ATOM     30  C   LIG    1       -2.001   3.082  -0.320  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1       -1.670   1.855   0.265  0.00  0.00    +0.009 A 
ENDBRANCH  23  24
BRANCH  23  32
ATOM     32  O   LIG    1       -3.123  -1.165   1.226  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1       -3.660  -0.409   1.528  0.00  0.00    +0.210 HD
ENDBRANCH  23  32
ENDBRANCH   4  23
TORSDOF 7