REMARK  Name = BDB061799
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.611   1.744   0.500  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.473   2.746   1.455  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.238   3.852   1.198  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        1.062   2.605   2.707  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.806   1.459   3.001  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        1.984   0.450   2.038  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1        1.375   0.604   0.783  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  15
ATOM      8  C   LIG    1       -3.053   0.302  -0.336  0.00  0.00    +0.093 C 
ATOM      9  N   LIG    1       -3.547   0.362  -1.736  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1       -4.651  -0.349  -2.197  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -4.917  -0.496  -3.384  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -2.598   0.870  -2.741  0.00  0.00    +0.127 C 
ATOM     13  C   LIG    1       -1.936   2.177  -2.295  0.00  0.00    +0.127 C 
ATOM     14  N   LIG    1       -1.364   2.039  -0.955  0.00  0.00    -0.294 N 
ATOM     15  C   LIG    1        0.012   1.881  -0.837  0.00  0.00    +0.249 C 
ATOM     16  O   LIG    1        0.774   1.826  -1.799  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -2.345   1.629   0.058  0.00  0.00    +0.130 C 
BRANCH  10  18
ATOM     18  C   LIG    1       -5.553  -0.952  -1.176  0.00  0.00    +0.075 C 
ATOM     19  C   LIG    1       -6.506  -0.081  -0.387  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1       -7.045  -1.007  -1.432  0.00  0.00    +0.013 C 
ENDBRANCH  10  18
BRANCH   8  22
ATOM     21  C   LIG    1       -1.908  -1.276   1.325  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -2.162  -0.944  -0.138  0.00  0.00    +0.021 C 
ENDBRANCH   8  22
ENDBRANCH   1  15
BRANCH   6  23
ATOM     23  C   LIG    1        2.763  -0.800   2.406  0.00  0.00    +0.162 C 
BRANCH  23  24
ATOM     24  N   LIG    1        3.462  -1.438   1.291  0.00  0.00    -0.289 N 
ATOM     25  C   LIG    1        4.690  -0.906   0.789  0.00  0.00    +0.059 A 
ATOM     26  C   LIG    1        5.342  -1.556  -0.266  0.00  0.00    +0.063 A 
ATOM     27  C   LIG    1        6.549  -1.073  -0.790  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1        7.121   0.079  -0.261  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        6.488   0.742   0.785  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        4.744  -2.773  -0.836  0.00  0.00    +0.262 A 
ATOM     31  O   LIG    1        5.282  -3.400  -1.741  0.00  0.00    -0.267 OA
ATOM     32  N   LIG    1        3.554  -3.166  -0.291  0.00  0.00    -0.274 N 
ATOM     33  H   LIG    1        3.129  -3.993  -0.683  0.00  0.00    +0.173 HD
ATOM     34  C   LIG    1        5.283   0.255   1.307  0.00  0.00    +0.027 A 
ATOM     35  C   LIG    1        2.882  -2.569   0.735  0.00  0.00    +0.330 A 
ATOM     36  O   LIG    1        1.811  -3.045   1.111  0.00  0.00    -0.246 OA
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 5