REMARK  Name = BDB035930
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.387  -0.876   0.783  0.00  0.00    -0.040 C 
ATOM      2  C   LIG    1        1.865  -2.284   0.953  0.00  0.00    +0.051 C 
ATOM      3  C   LIG    1        0.565  -2.329   1.777  0.00  0.00    +0.090 C 
ATOM      4  N   LIG    1       -0.421  -1.300   1.407  0.00  0.00    -0.293 NA
ATOM      5  C   LIG    1        0.173   0.038   1.557  0.00  0.00    +0.112 C 
ATOM      6  C   LIG    1        1.592   0.173   1.069  0.00  0.00    -0.007 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        6.370  -0.332  -0.547  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1        5.910   0.470   0.453  0.00  0.00    -0.250 NA
ATOM      9  C   LIG    1        4.627   0.262   0.841  0.00  0.00    +0.119 A 
ATOM     10  C   LIG    1        3.768  -0.695   0.294  0.00  0.00    -0.004 A 
ATOM     11  C   LIG    1        4.293  -1.500  -0.724  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        5.607  -1.319  -1.155  0.00  0.00    +0.033 A 
BRANCH   7  16
ATOM     13  C   LIG    1        9.819   1.212  -0.508  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        8.423   0.925  -0.326  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        7.902   1.356   0.434  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        7.788  -0.109  -0.980  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        8.314  -0.809  -1.837  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -0.948  -1.516   0.043  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.215  -0.728  -0.251  0.00  0.00    +0.056 A 
ATOM     20  N   LIG    1       -2.190   0.140  -1.286  0.00  0.00    -0.258 NA
ATOM     21  C   LIG    1       -3.322   0.844  -1.536  0.00  0.00    +0.119 A 
ATOM     22  C   LIG    1       -4.512   0.750  -0.809  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.728   1.549  -1.118  0.00  0.00    -0.027 C 
ATOM     24  C   LIG    1       -6.913   1.272  -0.520  0.00  0.00    +0.101 C 
ATOM     25  C   LIG    1       -6.987   0.262   0.573  0.00  0.00    +0.172 C 
ATOM     26  C   LIG    1       -5.727  -0.377   1.093  0.00  0.00    +0.115 C 
ATOM     27  O   LIG    1       -8.065  -0.016   1.099  0.00  0.00    -0.292 OA
ATOM     28  C   LIG    1       -5.555   2.669  -2.119  0.00  0.00    +0.045 C 
ATOM     29  C   LIG    1       -4.514  -0.171   0.240  0.00  0.00    -0.029 A 
ATOM     30  C   LIG    1       -3.354  -0.908   0.527  0.00  0.00    +0.029 A 
BRANCH  24  31
ATOM     31  C   LIG    1       -8.258   1.871  -0.800  0.00  0.00    +0.421 C 
ATOM     32  F   LIG    1       -8.272   2.669  -1.904  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -9.213   0.935  -1.044  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -8.693   2.649   0.224  0.00  0.00    -0.166 F 
ENDBRANCH  24  31
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 5