REMARK  Name = BDB017117
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.127  -0.828  -0.683  0.00  0.00    +0.021 A 
ATOM      2  C   LIG    1        1.984   0.203  -0.286  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        2.603   0.989  -1.260  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1        2.346   0.763  -2.614  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        1.506  -0.281  -3.004  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        0.902  -1.087  -2.038  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        1.258  -2.264   1.131  0.00  0.00    -0.292 OA
ATOM      8  C   LIG    1        0.505  -1.660   0.368  0.00  0.00    +0.168 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -1.012  -1.765   0.488  0.00  0.00    +0.074 C 
ATOM     10  C   LIG    1       -1.797  -0.593  -0.121  0.00  0.00    +0.095 C 
ATOM     11  N   LIG    1       -3.246  -0.745   0.105  0.00  0.00    -0.301 NA
ATOM     12  C   LIG    1       -3.735  -2.001  -0.488  0.00  0.00    +0.084 C 
ATOM     13  C   LIG    1       -3.016  -3.216   0.100  0.00  0.00    +0.016 C 
ATOM     14  C   LIG    1       -1.504  -3.105  -0.059  0.00  0.00    +0.014 C 
BRANCH  11  15
ATOM     15  C   LIG    1       -4.012   0.391  -0.430  0.00  0.00    +0.088 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.765   1.636   0.375  0.00  0.00    +0.003 C 
ATOM     17  C   LIG    1       -4.222   1.728   1.810  0.00  0.00    +0.005 C 
ATOM     18  C   LIG    1       -4.911   2.544   0.752  0.00  0.00    +0.005 C 
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  O   LIG    1        3.423   2.050  -0.952  0.00  0.00    -0.456 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.390   1.852   0.007  0.00  0.00    +0.129 A 
ATOM     21  C   LIG    1        4.559   2.870   0.949  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        5.546   2.752   1.929  0.00  0.00    +0.042 A 
ATOM     23  C   LIG    1        6.361   1.626   1.947  0.00  0.00    +0.124 A 
ATOM     24  F   LIG    1        7.310   1.514   2.886  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        6.214   0.617   1.000  0.00  0.00    +0.042 A 
ATOM     26  C   LIG    1        5.229   0.733   0.018  0.00  0.00    +0.049 A 
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 6