REMARK  Name = BDB024486
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.145   0.237  -0.054  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1       -4.841   0.743   0.105  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1       -4.746   1.906   1.008  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1       -4.946   1.479   2.473  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -3.458   2.708   0.834  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1       -2.256   1.802   0.986  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -2.361   0.662   0.013  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.183   0.061  -0.485  0.00  0.00    +0.094 A 
ATOM      9  C   LIG    1       -1.264  -0.951  -1.428  0.00  0.00    +0.067 A 
ATOM     10  N   LIG    1        0.039  -1.288  -1.687  0.00  0.00    -0.342 N 
ATOM     11  H   LIG    1        0.349  -1.994  -2.339  0.00  0.00    +0.167 HD
ATOM     12  C   LIG    1        0.852  -0.490  -0.918  0.00  0.00    +0.108 A 
ATOM     13  C   LIG    1       -2.467  -1.415  -1.937  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1       -3.632  -0.823  -1.424  0.00  0.00    +0.026 A 
ATOM     15  N   LIG    1        0.134   0.339  -0.190  0.00  0.00    -0.232 NA
ATOM     16  C   LIG    1       -3.622   0.171  -0.427  0.00  0.00    +0.045 A 
ATOM     17  O   LIG    1       -7.153   0.870   0.258  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1       -7.543  -1.570  -0.605  0.00  0.00    +0.282 C 
ATOM     19  O   LIG    1       -6.218  -1.046  -0.506  0.00  0.00    -0.453 OA
ENDBRANCH   1  19
BRANCH  12  20
ATOM     20  C   LIG    1        2.339  -0.582  -0.974  0.00  0.00    +0.079 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.978  -0.320   0.392  0.00  0.00    +0.043 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.480  -0.451   0.335  0.00  0.00    -0.044 A 
ATOM     23  C   LIG    1        5.106  -1.651   0.685  0.00  0.00    +0.045 A 
ATOM     24  C   LIG    1        6.493  -1.763   0.606  0.00  0.00    +0.165 A 
ATOM     25  F   LIG    1        7.058  -2.930   0.953  0.00  0.00    -0.202 F 
ATOM     26  C   LIG    1        7.289  -0.698   0.175  0.00  0.00    +0.155 A 
ATOM     27  C   LIG    1        6.666   0.501  -0.177  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        5.272   0.622  -0.099  0.00  0.00    +0.007 A 
BRANCH  26  29
ATOM     29  O   LIG    1        8.637  -0.935   0.141  0.00  0.00    -0.492 OA
ATOM     30  C   LIG    1        9.469   0.113  -0.338  0.00  0.00    +0.277 C 
ENDBRANCH  26  29
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  12  20
TORSDOF 5