REMARK  Name = BDB057967
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.008  -1.338   1.309  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.708  -0.933   0.167  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        1.615  -1.807  -0.450  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1        1.792  -3.090   0.093  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.115  -3.477   1.252  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.232  -2.595   1.872  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -3.166  -2.020   0.282  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -2.604  -0.607   0.089  0.00  0.00    +0.141 C 
ATOM      9  N   LIG    1       -2.121  -0.049   1.383  0.00  0.00    -0.286 N 
ATOM     10  C   LIG    1       -0.910  -0.405   1.988  0.00  0.00    +0.247 C 
ATOM     11  O   LIG    1       -0.558   0.023   3.085  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -2.861   1.047   2.033  0.00  0.00    +0.130 C 
ATOM     13  C   LIG    1       -4.342   1.117   1.678  0.00  0.00    +0.144 C 
ATOM     14  N   LIG    1       -4.485   1.039   0.246  0.00  0.00    -0.305 N 
ATOM     15  C   LIG    1       -5.350   1.666  -0.603  0.00  0.00    +0.238 A 
ATOM     16  N   LIG    1       -5.054   1.288  -1.835  0.00  0.00    -0.125 NA
ATOM     17  N   LIG    1       -3.994   0.408  -1.779  0.00  0.00    -0.132 NA
ATOM     18  C   LIG    1       -3.660   0.263  -0.516  0.00  0.00    +0.154 A 
BRANCH  15  19
ATOM     19  C   LIG    1       -6.410   2.595  -0.150  0.00  0.00    +0.452 C 
ATOM     20  F   LIG    1       -7.249   2.990  -1.137  0.00  0.00    -0.163 F 
ATOM     21  F   LIG    1       -5.881   3.721   0.400  0.00  0.00    -0.163 F 
ATOM     22  F   LIG    1       -7.180   2.030   0.820  0.00  0.00    -0.163 F 
ENDBRANCH  15  19
ENDBRANCH   1  10
BRANCH   3  23
ATOM     23  C   LIG    1        2.359  -1.405  -1.704  0.00  0.00    +0.093 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.955  -0.005  -1.641  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1        4.196   0.244  -0.863  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        4.683   1.549  -0.844  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1        5.847   1.868  -0.133  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        6.526   0.871   0.565  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        6.044  -0.437   0.551  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        3.959   2.598  -1.581  0.00  0.00    +0.272 A 
ATOM     31  O   LIG    1        4.353   3.758  -1.596  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1        2.826   2.196  -2.245  0.00  0.00    -0.242 N 
ATOM     33  H   LIG    1        2.315   2.906  -2.761  0.00  0.00    +0.192 HD
ATOM     34  C   LIG    1        4.882  -0.754  -0.160  0.00  0.00    +0.010 A 
ATOM     35  N   LIG    1        2.324   0.934  -2.285  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 4