REMARK  Name = BDB033027
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.042  -0.310  -0.917  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1        1.276  -0.158  -0.036  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        2.334  -0.722  -0.839  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        1.828  -1.656  -1.735  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1        2.482  -2.443  -2.400  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.320  -1.593  -1.700  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.422  -0.185  -0.782  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1       -1.200  -0.357  -0.171  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1       -1.217  -0.774   0.757  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -2.526   0.142  -1.960  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1       -7.398   0.019  -0.478  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -6.083  -0.288   0.177  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1       -4.883  -0.109  -0.527  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -3.642  -0.420   0.056  0.00  0.00    +0.078 A 
ATOM     15  C   LIG    1       -3.622  -0.934   1.362  0.00  0.00    +0.129 A 
ATOM     16  C   LIG    1       -4.815  -1.129   2.065  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -6.038  -0.811   1.472  0.00  0.00    +0.007 A 
BRANCH  15  18
ATOM     18  O   LIG    1       -2.440  -1.270   1.974  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1       -2.638  -1.613   2.864  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1        3.717  -0.754  -0.400  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.271   0.629  -0.133  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1        4.567   1.103   1.167  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1        5.067   2.412   1.318  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        5.271   3.237   0.212  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.978   2.771  -1.064  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.481   1.480  -1.236  0.00  0.00    +0.006 A 
BRANCH  22  27
ATOM     27  C   LIG    1        4.363   0.246   2.396  0.00  0.00    +0.418 C 
ATOM     28  F   LIG    1        4.659   0.881   3.565  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        3.075  -0.180   2.529  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        5.130  -0.879   2.383  0.00  0.00    -0.166 F 
ENDBRANCH  22  27
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6