REMARK  Name = BDB058679
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.469  -3.387   1.948  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        2.895  -2.218   1.121  0.00  0.00    +0.069 C 
ATOM      3  C   LIG    1        1.979  -1.394   0.309  0.00  0.00    +0.065 C 
ATOM      4  C   LIG    1        0.660  -1.607   0.245  0.00  0.00    +0.061 C 
ATOM      5  C   LIG    1        2.863  -0.369  -0.303  0.00  0.00    +0.272 C 
ATOM      6  O   LIG    1        2.521   0.539  -1.036  0.00  0.00    -0.268 OA
ATOM      7  N   LIG    1        4.134  -0.716   0.191  0.00  0.00    -0.156 N 
ATOM      8  N   LIG    1        4.133  -1.817   1.040  0.00  0.00    -0.177 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        5.372  -0.072  -0.067  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        5.467   1.049  -0.903  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1        6.702   1.659  -1.137  0.00  0.00    +0.169 A 
ATOM     12  F   LIG    1        6.752   2.729  -1.943  0.00  0.00    -0.201 F 
ATOM     13  C   LIG    1        7.858   1.170  -0.549  0.00  0.00    +0.188 A 
ATOM     14  C   LIG    1        7.773   0.061   0.280  0.00  0.00    +0.169 A 
ATOM     15  F   LIG    1        8.887  -0.418   0.853  0.00  0.00    -0.201 F 
ATOM     16  C   LIG    1        6.551  -0.559   0.524  0.00  0.00    +0.067 A 
BRANCH  13  17
ATOM     17  O   LIG    1        9.061   1.774  -0.784  0.00  0.00    -0.502 OA
ATOM     18  H   LIG    1        9.738   1.282  -0.283  0.00  0.00    +0.292 HD
ENDBRANCH  13  17
ENDBRANCH   7   9
BRANCH   4  19
ATOM     19  C   LIG    1       -0.276  -0.863  -0.521  0.00  0.00    +0.129 A 
ATOM     20  O   LIG    1       -1.560  -0.661  -0.060  0.00  0.00    -0.455 OA
ATOM     21  C   LIG    1       -2.265   0.041  -0.991  0.00  0.00    +0.138 A 
ATOM     22  C   LIG    1       -1.458   0.300  -2.074  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1       -0.202  -0.286  -1.781  0.00  0.00    +0.050 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -3.648   0.342  -0.634  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1       -4.713   0.318  -1.540  0.00  0.00    +0.137 A 
ATOM     26  C   LIG    1       -6.025   0.653  -1.173  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1       -6.307   1.022   0.149  0.00  0.00    -0.045 A 
ATOM     28  C   LIG    1       -7.718   1.377   0.532  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1       -5.261   1.038   1.093  0.00  0.00    -0.047 A 
ATOM     30  C   LIG    1       -5.508   1.424   2.527  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1       -3.952   0.703   0.689  0.00  0.00    +0.017 A 
BRANCH  25  32
ATOM     32  N   LIG    1       -4.506  -0.099  -2.909  0.00  0.00    +0.057 N 
ATOM     33  O   LIG    1       -4.329  -1.306  -3.114  0.00  0.00    -0.126 OA
ATOM     34  O   LIG    1       -4.549   0.786  -3.775  0.00  0.00    -0.126 OA
ENDBRANCH  25  32
ENDBRANCH  21  24
ENDBRANCH   4  19
TORSDOF 5