REMARK  Name = BDB051780
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.294  -1.102  -0.797  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -2.289  -0.272  -0.275  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -1.455  -0.740   0.748  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -1.651  -2.009   1.284  0.00  0.00    +0.135 A 
ATOM      5  F   LIG    1       -0.882  -2.459   2.286  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1       -2.643  -2.841   0.776  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -3.461  -2.390  -0.263  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -0.437   0.163   1.306  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1        0.912  -0.150   1.176  0.00  0.00    -0.294 N 
ATOM     10  C   LIG    1        1.466  -1.286   0.426  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1        2.778  -1.795   1.036  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1        3.784  -0.741   1.170  0.00  0.00    -0.297 N 
ATOM     13  C   LIG    1        5.129  -1.095   1.115  0.00  0.00    +0.236 C 
ATOM     14  O   LIG    1        5.506  -2.259   0.993  0.00  0.00    -0.274 OA
ATOM     15  C   LIG    1        3.296   0.640   1.227  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        1.883   0.746   1.814  0.00  0.00    +0.127 C 
ATOM     17  O   LIG    1       -0.839   1.196   1.839  0.00  0.00    -0.270 OA
BRANCH  13  18
ATOM     18  C   LIG    1        6.171   0.016   1.215  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        7.472  -0.314   1.940  0.00  0.00    +0.034 C 
ATOM     20  C   LIG    1        6.464   0.566   2.605  0.00  0.00    +0.034 C 
BRANCH  18  21
ATOM     21  N   LIG    1        6.219   0.866  -0.023  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1        6.885   0.182  -1.134  0.00  0.00    +0.105 C 
ATOM     23  C   LIG    1        6.741   2.219   0.140  0.00  0.00    +0.105 C 
ENDBRANCH  18  21
ENDBRANCH  13  18
ENDBRANCH   3   8
BRANCH   1  24
ATOM     24  C   LIG    1       -4.213  -0.601  -1.889  0.00  0.00    +0.092 C 
BRANCH  24  34
ATOM     25  C   LIG    1       -5.949   0.718  -3.847  0.00  0.00    +0.046 C 
ATOM     26  C   LIG    1       -6.427   0.665  -2.427  0.00  0.00    -0.019 A 
ATOM     27  C   LIG    1       -7.593   1.168  -1.977  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -8.622   1.912  -2.779  0.00  0.00    +0.050 C 
ATOM     29  C   LIG    1       -7.958   1.006  -0.539  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -9.016   1.436  -0.089  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -7.056   0.345   0.244  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -7.289   0.233   1.227  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -5.872  -0.169  -0.163  0.00  0.00    -0.175 NA
ATOM     34  C   LIG    1       -5.549  -0.023  -1.412  0.00  0.00    +0.069 A 
ENDBRANCH  24  34
ENDBRANCH   1  24
TORSDOF 5