REMARK  Name = BDB033054
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.061   1.338   0.507  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1        1.079   0.585  -0.353  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        2.187   1.508  -0.446  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        1.805   2.808  -0.176  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1        2.504   3.805  -0.259  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.343   2.805   0.188  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -1.790  -0.298   0.502  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1       -1.321   0.975   0.265  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1       -2.027   1.704   0.183  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -1.041  -1.227   0.789  0.00  0.00    -0.270 OA
BRANCH   7  15
ATOM     11  C   LIG    1       -7.483  -1.442   0.093  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -6.024  -1.117   0.224  0.00  0.00    -0.047 A 
ATOM     13  C   LIG    1       -5.576   0.205   0.100  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1       -4.211   0.504   0.190  0.00  0.00    +0.129 A 
ATOM     15  C   LIG    1       -3.268  -0.515   0.394  0.00  0.00    +0.078 A 
ATOM     16  C   LIG    1       -3.725  -1.838   0.506  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1       -5.088  -2.137   0.416  0.00  0.00    +0.004 A 
BRANCH  14  18
ATOM     18  O   LIG    1       -3.820   1.815   0.080  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1       -4.613   2.366  -0.051  0.00  0.00    +0.292 HD
ENDBRANCH  14  18
ENDBRANCH   7  15
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1        3.471   1.139  -1.009  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.244   0.217  -0.090  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1        4.474  -1.146  -0.385  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1        5.193  -1.931   0.537  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        5.673  -1.385   1.728  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.445  -0.045   2.017  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.737   0.750   1.117  0.00  0.00    +0.006 A 
BRANCH  22  27
ATOM     27  C   LIG    1        3.983  -1.780  -1.667  0.00  0.00    +0.418 C 
ATOM     28  F   LIG    1        4.551  -1.219  -2.772  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        4.247  -3.114  -1.758  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        2.638  -1.659  -1.838  0.00  0.00    -0.166 F 
ENDBRANCH  22  27
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6