REMARK  Name = BDB056038
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.290   4.386   2.115  0.00  0.00    -0.061 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.665   3.004   2.549  0.00  0.00    +0.278 A 
ATOM      3  O   LIG    1        1.381   2.253   1.654  0.00  0.00    -0.411 OA
ATOM      4  C   LIG    1        1.943   1.302   2.463  0.00  0.00    +0.249 A 
ATOM      5  N   LIG    1        1.625   1.464   3.730  0.00  0.00    -0.106 NA
ATOM      6  N   LIG    1        0.803   2.572   3.785  0.00  0.00    -0.101 NA
BRANCH   4   7
ATOM      7  C   LIG    1        2.769   0.284   1.827  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1        3.029   0.298   0.448  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1        3.822  -0.692  -0.134  0.00  0.00    +0.163 A 
ATOM     10  O   LIG    1        4.039  -0.590  -1.485  0.00  0.00    -0.485 OA
ATOM     11  C   LIG    1        5.119  -1.432  -1.905  0.00  0.00    +0.270 C 
ATOM     12  C   LIG    1        4.993  -2.816  -1.289  0.00  0.00    +0.270 C 
ATOM     13  O   LIG    1        5.104  -2.746   0.137  0.00  0.00    -0.485 OA
ATOM     14  C   LIG    1        4.345  -1.725   0.648  0.00  0.00    +0.162 A 
ATOM     15  C   LIG    1        4.111  -1.743   2.020  0.00  0.00    +0.050 A 
ATOM     16  C   LIG    1        3.325  -0.745   2.605  0.00  0.00    +0.017 A 
ENDBRANCH   4   7
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -0.515   4.125   0.336  0.00  0.00    +0.114 C 
BRANCH  17  21
ATOM     18  C   LIG    1       -3.096   0.759  -0.627  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1       -1.733   0.748  -0.961  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1       -0.904   1.833  -0.656  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -1.414   2.959   0.001  0.00  0.00    -0.037 A 
ATOM     22  C   LIG    1       -2.776   2.982   0.329  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.602   1.897   0.021  0.00  0.00    +0.009 A 
BRANCH  18  27
ATOM     24  F   LIG    1       -7.133  -1.098  -2.607  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -5.989  -1.297  -1.940  0.00  0.00    +0.127 A 
ATOM     26  C   LIG    1       -5.174  -0.206  -1.642  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1       -3.966  -0.384  -0.947  0.00  0.00    -0.012 A 
ATOM     28  C   LIG    1       -3.615  -1.690  -0.567  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1       -4.446  -2.767  -0.875  0.00  0.00    +0.127 A 
ATOM     30  F   LIG    1       -4.087  -4.001  -0.500  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -5.635  -2.582  -1.562  0.00  0.00    +0.076 A 
ENDBRANCH  18  27
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 5