REMARK  Name = BDB019087
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.340   0.083  -0.338  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1       -1.779  -1.217  -0.268  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1       -0.430  -1.300  -0.008  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.126  -2.635   0.075  0.00  0.00    +0.206 A 
ATOM      5  N   LIG    1       -1.174  -3.394  -0.172  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1        0.386  -0.168   0.158  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.138   1.029   0.109  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1       -2.211  -2.518  -0.378  0.00  0.00    +0.139 A 
ATOM      9  C   LIG    1       -1.495   1.120  -0.144  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  16
ATOM     10  C   LIG    1       -4.275   0.754   1.852  0.00  0.00    +0.046 C 
ATOM     11  C   LIG    1       -4.686   0.692   0.405  0.00  0.00    -0.019 A 
ATOM     12  C   LIG    1       -5.998   1.005   0.011  0.00  0.00    +0.075 A 
ATOM     13  N   LIG    1       -6.410   0.949  -1.286  0.00  0.00    -0.257 NA
ATOM     14  C   LIG    1       -5.505   0.612  -2.224  0.00  0.00    +0.112 A 
ATOM     15  C   LIG    1       -4.187   0.324  -1.942  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -3.763   0.372  -0.611  0.00  0.00    -0.008 A 
BRANCH  12  17
ATOM     17  C   LIG    1       -7.058   1.401   1.011  0.00  0.00    +0.268 C 
ATOM     18  F   LIG    1       -6.641   2.344   1.906  0.00  0.00    -0.242 F 
ENDBRANCH  12  17
ENDBRANCH   1  16
BRANCH   6  19
ATOM     19  N   LIG    1        1.736  -0.301   0.393  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        2.072   0.596   0.739  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.600  -0.718  -0.707  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.012  -0.841  -0.217  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        4.872   0.249  -0.117  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        4.641   1.686  -0.403  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1        6.085   2.187  -0.351  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1        6.875   1.266   0.436  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1        6.160   0.098   0.384  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1        6.649  -1.121   0.809  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1        5.806  -2.228   0.713  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1        4.508  -2.081   0.208  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1        3.722  -3.166   0.138  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5