REMARK  Name = BDB008757
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.318   0.388  -0.214  0.00  0.00    +0.127 A 
ATOM      2  N   LIG    1       -0.193  -0.318  -0.040  0.00  0.00    -0.224 NA
ATOM      3  C   LIG    1        0.975   0.265  -0.370  0.00  0.00    +0.116 A 
ATOM      4  C   LIG    1        1.084   1.548  -0.878  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -0.083   2.293  -1.058  0.00  0.00    -0.010 A 
ATOM      6  C   LIG    1       -1.302   1.689  -0.713  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.037   3.662  -1.590  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -0.652   4.732  -0.925  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -0.582   6.011  -1.464  0.00  0.00    +0.142 A 
ATOM     10  F   LIG    1       -1.166   7.038  -0.834  0.00  0.00    -0.204 F 
ATOM     11  C   LIG    1        0.097   6.206  -2.651  0.00  0.00    +0.149 A 
ATOM     12  N   LIG    1        0.706   5.208  -3.331  0.00  0.00    -0.260 NA
ATOM     13  C   LIG    1        0.623   3.969  -2.785  0.00  0.00    +0.119 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     14  C   LIG    1       -2.787  -1.450   0.573  0.00  0.00    +0.235 C 
ATOM     15  N   LIG    1       -2.567  -0.159   0.109  0.00  0.00    -0.269 N 
ATOM     16  H   LIG    1       -3.378   0.419  -0.046  0.00  0.00    +0.156 HD
ATOM     17  O   LIG    1       -1.944  -2.323   0.749  0.00  0.00    -0.274 OA
BRANCH  14  18
ATOM     18  C   LIG    1       -4.288  -1.688   0.879  0.00  0.00    +0.137 C 
ATOM     19  C   LIG    1       -4.611  -3.173   1.040  0.00  0.00    +0.034 C 
BRANCH  18  21
ATOM     20  C   LIG    1       -4.186  -1.309   3.310  0.00  0.00    +0.101 C 
ATOM     21  N   LIG    1       -4.725  -0.856   2.030  0.00  0.00    -0.309 NA
ATOM     22  H   LIG    1       -4.426   0.107   1.889  0.00  0.00    +0.122 HD
ENDBRANCH  18  21
ENDBRANCH  14  18
ENDBRANCH   1  15
BRANCH   3  23
ATOM     23  C   LIG    1        2.130  -0.545  -0.157  0.00  0.00    -0.041 C 
ATOM     24  C   LIG    1        3.096  -1.236   0.025  0.00  0.00    -0.060 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.231  -2.076   0.250  0.00  0.00    +0.025 A 
ATOM     26  C   LIG    1        4.048  -3.388   0.696  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1        5.154  -4.212   0.916  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.442  -3.726   0.690  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.626  -2.417   0.244  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.522  -1.592   0.024  0.00  0.00    +0.017 A 
ENDBRANCH  24  25
ENDBRANCH   3  23
TORSDOF 6