REMARK  Name = BDB054884
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.122   1.217   0.188  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.164   1.011   1.183  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.753   2.020   1.522  0.00  0.00    -0.037 A 
ATOM      4  C   LIG    1        0.694   3.251   0.858  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.269   3.469  -0.125  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.173   2.459  -0.456  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.150  -1.065   0.216  0.00  0.00    +0.249 C 
ATOM      8  N   LIG    1       -2.066   0.247  -0.208  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1       -2.748   0.554  -0.898  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -1.355  -1.639   0.953  0.00  0.00    -0.270 OA
BRANCH   7  18
ATOM     11  C   LIG    1       -5.264  -0.082  -0.439  0.00  0.00    +0.167 A 
ATOM     12  C   LIG    1       -4.568  -1.318  -0.565  0.00  0.00    +0.075 A 
ATOM     13  C   LIG    1       -5.541  -2.174  -1.068  0.00  0.00    +0.170 A 
ATOM     14  C   LIG    1       -5.354  -3.526  -1.343  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1       -4.089  -4.048  -1.076  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -3.073  -3.230  -0.571  0.00  0.00    +0.014 A 
ATOM     17  O   LIG    1       -6.701  -1.492  -1.249  0.00  0.00    -0.353 OA
ATOM     18  C   LIG    1       -3.286  -1.855  -0.323  0.00  0.00    +0.051 A 
ATOM     19  N   LIG    1       -6.524  -0.176  -0.869  0.00  0.00    -0.062 NA
BRANCH  11  20
ATOM     20  N   LIG    1       -4.734   1.063   0.043  0.00  0.00    -0.340 N 
ATOM     21  H   LIG    1       -5.422   1.787   0.248  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1       -4.054   1.002   0.801  0.00  0.00    +0.144 HD
ENDBRANCH  11  20
ENDBRANCH   7  18
ENDBRANCH   1   8
BRANCH   3  23
ATOM     23  C   LIG    1        1.810   1.770   2.573  0.00  0.00    +0.131 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.208   1.589   1.997  0.00  0.00    +0.222 C 
ATOM     25  N   LIG    1        3.297   0.541   1.096  0.00  0.00    -0.285 N 
ATOM     26  H   LIG    1        2.427   0.076   0.861  0.00  0.00    +0.155 HD
ATOM     27  O   LIG    1        4.132   2.310   2.362  0.00  0.00    -0.275 OA
BRANCH  25  28
ATOM     28  C   LIG    1        4.441   0.089   0.409  0.00  0.00    +0.036 A 
ATOM     29  C   LIG    1        5.723   0.608   0.596  0.00  0.00    +0.061 A 
ATOM     30  C   LIG    1        6.791   0.089  -0.133  0.00  0.00    +0.125 A 
ATOM     31  F   LIG    1        8.020   0.587   0.052  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        6.610  -0.938  -1.050  0.00  0.00    +0.038 A 
ATOM     33  C   LIG    1        5.337  -1.463  -1.245  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        4.258  -0.952  -0.516  0.00  0.00    +0.023 A 
ENDBRANCH  25  28
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6