REMARK  Name = BDB051593
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.702  -0.344   0.364  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1       -0.132  -0.294   1.643  0.00  0.00    +0.146 A 
ATOM      3  F   LIG    1       -0.932  -0.344   2.720  0.00  0.00    -0.203 F 
ATOM      4  C   LIG    1        1.245  -0.193   1.840  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1        2.092  -0.137   0.730  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1        1.534  -0.187  -0.558  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        0.147  -0.289  -0.739  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   5   8
ATOM      8  N   LIG    1        3.505  -0.032   0.880  0.00  0.00    -0.239 N 
ATOM      9  N   LIG    1        4.306   0.038  -0.213  0.00  0.00    -0.166 NA
ATOM     10  C   LIG    1        5.571   0.097   0.235  0.00  0.00    +0.105 A 
ATOM     11  C   LIG    1        5.536   0.109   1.677  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        6.613   0.190   2.550  0.00  0.00    +0.050 A 
ATOM     13  C   LIG    1        7.825   0.263   1.845  0.00  0.00    +0.125 A 
ATOM     14  C   LIG    1        7.938   0.256   0.427  0.00  0.00    +0.053 A 
ATOM     15  F   LIG    1        8.960   0.342   2.556  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        6.814   0.174  -0.433  0.00  0.00    +0.067 A 
ATOM     17  C   LIG    1        4.226   0.026   2.054  0.00  0.00    +0.123 A 
BRANCH  16  18
ATOM     18  C   LIG    1        6.939   0.139  -1.897  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1        6.206  -0.528  -2.613  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1        7.944   0.896  -2.438  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1        7.942   0.960  -3.449  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1        8.390   1.645  -1.927  0.00  0.00    +0.145 HD
ENDBRANCH  16  18
ENDBRANCH   5   8
BRANCH   1  24
ATOM     23  C   LIG    1       -2.896  -0.528  -0.843  0.00  0.00    +0.222 C 
ATOM     24  N   LIG    1       -2.108  -0.444   0.292  0.00  0.00    -0.283 N 
ATOM     25  H   LIG    1       -2.576  -0.487   1.193  0.00  0.00    +0.155 HD
ATOM     26  O   LIG    1       -2.486  -0.535  -1.999  0.00  0.00    -0.275 OA
BRANCH  23  30
ATOM     27  C   LIG    1       -6.736   2.080   0.772  0.00  0.00    +0.104 C 
ATOM     28  N   LIG    1       -6.304   0.769   0.282  0.00  0.00    -0.305 NA
ATOM     29  C   LIG    1       -4.870   0.790  -0.050  0.00  0.00    +0.096 C 
ATOM     30  C   LIG    1       -4.386  -0.592  -0.513  0.00  0.00    +0.089 C 
ATOM     31  C   LIG    1       -5.212  -1.065  -1.714  0.00  0.00    +0.015 C 
ATOM     32  C   LIG    1       -6.701  -1.012  -1.389  0.00  0.00    +0.016 C 
ATOM     33  C   LIG    1       -7.109   0.373  -0.883  0.00  0.00    +0.084 C 
ENDBRANCH  23  30
ENDBRANCH   1  24
TORSDOF 4