REMARK  Name = BDB033035
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.033  -1.717   1.191  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -1.282  -0.885   0.904  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -2.290  -1.878   0.622  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -1.734  -3.092   0.257  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -2.334  -4.080  -0.135  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -0.234  -2.976   0.353  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        1.662   0.009   1.670  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        1.210  -1.034   0.893  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1        1.643  -1.149  -0.019  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        1.091   0.335   2.707  0.00  0.00    -0.270 OA
BRANCH   7  12
ATOM     11  C   LIG    1        3.473   0.608  -0.067  0.00  0.00    +0.132 A 
ATOM     12  C   LIG    1        2.887   0.743   1.210  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1        3.460   1.630   2.142  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        4.611   2.365   1.838  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1        5.185   3.326   2.836  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1        5.178   2.229   0.571  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1        4.619   1.357  -0.369  0.00  0.00    +0.046 A 
BRANCH  11  19
ATOM     18  C   LIG    1        3.431  -0.340  -2.268  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        2.878  -0.251  -0.959  0.00  0.00    -0.494 OA
ENDBRANCH  11  19
ENDBRANCH   7  12
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -3.692  -1.546   0.450  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.965  -0.850  -0.870  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1       -4.272   0.528  -0.963  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1       -4.496   1.094  -2.234  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -4.422   0.320  -3.392  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -4.125  -1.034  -3.300  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.899  -1.613  -2.052  0.00  0.00    +0.006 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -4.380   1.411   0.260  0.00  0.00    +0.418 C 
ATOM     28  F   LIG    1       -3.228   1.447   0.985  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -5.353   0.997   1.118  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -4.673   2.711  -0.026  0.00  0.00    -0.166 F 
ENDBRANCH  22  27
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6