REMARK  Name = BDB035931
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.206  -2.100   0.860  0.00  0.00    +0.085 C 
ATOM      2  C   LIG    1       -0.683  -2.089   2.308  0.00  0.00    +0.029 C 
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.532  -1.378   0.670  0.00  0.00    -0.012 A 
ATOM      4  C   LIG    1       -3.023  -0.390   1.524  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -4.256   0.230   1.263  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1       -4.771   1.285   2.186  0.00  0.00    +0.116 C 
ATOM      7  C   LIG    1       -6.046   1.960   1.747  0.00  0.00    +0.172 C 
ATOM      8  C   LIG    1       -6.765   1.491   0.530  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -6.279   0.453  -0.189  0.00  0.00    -0.010 C 
ATOM     10  C   LIG    1       -6.990  -0.165  -1.370  0.00  0.00    +0.046 C 
ATOM     11  O   LIG    1       -6.498   2.883   2.425  0.00  0.00    -0.292 OA
ATOM     12  C   LIG    1       -4.976  -0.165   0.145  0.00  0.00    +0.071 A 
ATOM     13  N   LIG    1       -4.515  -1.106  -0.707  0.00  0.00    -0.255 NA
ATOM     14  C   LIG    1       -3.320  -1.681  -0.435  0.00  0.00    +0.116 A 
BRANCH   8  15
ATOM     15  C   LIG    1       -7.998   2.297   0.270  0.00  0.00    +0.421 C 
ATOM     16  F   LIG    1       -7.751   3.634   0.234  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1       -8.955   2.082   1.208  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1       -8.583   2.023  -0.927  0.00  0.00    -0.166 F 
ENDBRANCH   8  15
ENDBRANCH   1   3
BRANCH   1  22
ATOM     19  N   LIG    1        2.592  -0.678  -0.406  0.00  0.00    -0.326 N 
ATOM     20  C   LIG    1        1.435   0.078  -0.913  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1        0.163  -0.253  -0.096  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1       -0.218  -1.677  -0.149  0.00  0.00    -0.293 NA
ATOM     23  C   LIG    1        0.957  -2.562  -0.260  0.00  0.00    +0.104 C 
ATOM     24  C   LIG    1        2.301  -1.973   0.234  0.00  0.00    +0.120 C 
BRANCH  19  28
ATOM     25  C   LIG    1        6.539   0.569  -0.941  0.00  0.00    +0.125 A 
ATOM     26  N   LIG    1        6.279  -0.375  -0.011  0.00  0.00    -0.249 NA
ATOM     27  C   LIG    1        4.981  -0.749   0.128  0.00  0.00    +0.134 A 
ATOM     28  C   LIG    1        3.892  -0.249  -0.600  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1        4.228   0.727  -1.546  0.00  0.00    +0.027 A 
ATOM     30  C   LIG    1        5.550   1.143  -1.728  0.00  0.00    +0.035 A 
BRANCH  25  34
ATOM     31  C   LIG    1        9.535   2.851  -1.348  0.00  0.00    +0.128 C 
ATOM     32  N   LIG    1        8.191   2.332  -1.323  0.00  0.00    -0.313 N 
ATOM     33  H   LIG    1        7.442   2.976  -1.104  0.00  0.00    +0.149 HD
ATOM     34  C   LIG    1        7.973   0.979  -1.096  0.00  0.00    +0.262 C 
ATOM     35  O   LIG    1        8.884   0.163  -1.009  0.00  0.00    -0.269 OA
ENDBRANCH  25  34
ENDBRANCH  19  28
ENDBRANCH   1  22
TORSDOF 5