REMARK  Name = BDB000462
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.062  -1.884   0.035  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        2.268  -2.553  -0.338  0.00  0.00    -0.492 OA
BRANCH   2   5
ATOM      3  C   LIG    1        4.522  -3.981  -1.062  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1        4.596  -2.533  -0.655  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1        3.433  -1.834  -0.292  0.00  0.00    +0.123 A 
ATOM      6  C   LIG    1        3.531  -0.494   0.079  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        4.776   0.148   0.091  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1        5.953  -0.527  -0.266  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        5.842  -1.876  -0.638  0.00  0.00    +0.017 A 
BRANCH   8  10
ATOM     10  C   LIG    1        7.228   0.208  -0.231  0.00  0.00    +0.129 A 
ATOM     11  S   LIG    1        8.743  -0.481  -0.667  0.00  0.00    +0.034 S 
ATOM     12  N   LIG    1        9.604   0.911  -0.370  0.00  0.00    -0.185 NA
ATOM     13  C   LIG    1        8.726   1.838   0.044  0.00  0.00    +0.243 A 
ATOM     14  N   LIG    1        7.371   1.470   0.133  0.00  0.00    -0.215 NA
BRANCH  13  15
ATOM     15  C   LIG    1        9.180   3.234   0.402  0.00  0.00    +0.453 C 
ATOM     16  F   LIG    1       10.078   3.240   1.427  0.00  0.00    -0.163 F 
ATOM     17  F   LIG    1        9.779   3.869  -0.644  0.00  0.00    -0.163 F 
ATOM     18  F   LIG    1        8.151   4.037   0.794  0.00  0.00    -0.163 F 
ENDBRANCH  13  15
ENDBRANCH   8  10
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  C   LIG    1       -0.082  -2.886  -0.095  0.00  0.00    +0.082 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.409  -2.307   0.381  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.724  -1.166  -0.414  0.00  0.00    -0.492 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.881  -0.498  -0.118  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1       -3.121   0.624  -0.917  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1       -4.271   1.368  -0.703  0.00  0.00    -0.040 A 
ATOM     25  C   LIG    1       -4.699   2.609  -1.421  0.00  0.00    +0.036 C 
ATOM     26  C   LIG    1       -6.187   2.652  -1.056  0.00  0.00    +0.013 C 
ATOM     27  C   LIG    1       -6.311   2.025   0.352  0.00  0.00    +0.030 C 
ATOM     28  C   LIG    1       -5.184   1.024   0.301  0.00  0.00    -0.040 A 
ATOM     29  C   LIG    1       -4.950  -0.080   1.105  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1       -3.797  -0.846   0.887  0.00  0.00    +0.046 A 
BRANCH  27  31
ATOM     31  C   LIG    1       -7.705   1.454   0.584  0.00  0.00    +0.128 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -7.995   1.280   2.047  0.00  0.00    +0.305 C 
ATOM     33  O   LIG    1       -8.086   0.222   2.647  0.00  0.00    -0.251 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -8.172   2.450   2.688  0.00  0.00    -0.481 OA
ATOM     35  H   LIG    1       -8.359   2.191   3.615  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH  27  31
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 11