REMARK  Name = BDB006074
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.892   1.523  -1.475  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -5.058   0.825  -0.910  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -4.171   1.383   0.120  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -3.256   0.534   0.714  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -2.365   0.964   1.705  0.00  0.00    +0.077 A 
ATOM      6  N   LIG    1       -1.420   0.104   2.315  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1       -1.404  -1.142   1.916  0.00  0.00    +0.123 A 
ATOM      8  N   LIG    1       -2.266  -1.620   0.952  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1       -2.206  -2.589   0.669  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -2.422   2.304   2.092  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -3.345   3.179   1.500  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -3.206  -0.871   0.300  0.00  0.00    +0.162 A 
ATOM     13  N   LIG    1       -3.990  -1.364  -0.612  0.00  0.00    -0.153 NA
ATOM     14  C   LIG    1       -4.222   2.720   0.512  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -4.893  -0.515  -1.195  0.00  0.00    -0.241 N 
ATOM     16  H   LIG    1       -5.497  -0.916  -1.906  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1       -0.390  -2.110   2.533  0.00  0.00    +0.158 C 
BRANCH  17  18
ATOM     18  N   LIG    1        0.944  -2.028   1.920  0.00  0.00    -0.292 NA
ATOM     19  C   LIG    1        1.005  -2.467   0.518  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1        2.299  -2.031  -0.211  0.00  0.00    +0.120 C 
ATOM     21  N   LIG    1        2.413  -0.563  -0.230  0.00  0.00    -0.327 N 
ATOM     22  C   LIG    1        1.767   0.162   0.880  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        1.626  -0.736   2.133  0.00  0.00    +0.104 C 
BRANCH  21  24
ATOM     24  C   LIG    1        3.113   0.103  -1.221  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1        2.900   1.469  -1.484  0.00  0.00    +0.026 A 
ATOM     26  C   LIG    1        3.603   2.149  -2.486  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        4.538   1.467  -3.246  0.00  0.00    +0.124 A 
ATOM     28  F   LIG    1        5.213   2.113  -4.206  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        4.780   0.122  -3.022  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1        4.071  -0.548  -2.018  0.00  0.00    +0.026 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 3