REMARK  Name = BDB030889
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.343  -0.348   1.426  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1       -0.634  -1.673   1.647  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1       -1.952  -2.005   1.437  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1       -2.901  -1.125   1.062  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1       -2.525   0.148   0.902  0.00  0.00    +0.216 A 
ATOM      6  N   LIG    1       -1.270   0.568   1.062  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        4.737   0.165  -0.424  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1        4.466   0.843   0.774  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1        3.175   0.769   1.323  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        2.142   0.044   0.735  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        0.995   0.192   1.571  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1        1.351   1.017   2.619  0.00  0.00    +0.093 A 
ATOM     13  C   LIG    1        2.412  -0.630  -0.470  0.00  0.00    +0.012 A 
ATOM     14  N   LIG    1        2.670   1.350   2.465  0.00  0.00    -0.360 N 
ATOM     15  H   LIG    1        3.200   1.947   3.085  0.00  0.00    +0.165 HD
ATOM     16  C   LIG    1        3.700  -0.563  -1.028  0.00  0.00    +0.024 A 
BRANCH   7  19
ATOM     17  O   LIG    1        7.176   1.825   0.245  0.00  0.00    -0.226 OA
ATOM     18  C   LIG    1        7.101   1.003  -0.654  0.00  0.00    +0.407 C 
ATOM     19  N   LIG    1        6.028   0.199  -1.018  0.00  0.00    -0.234 N 
ATOM     20  C   LIG    1        6.358  -0.499  -2.223  0.00  0.00    +0.158 C 
ATOM     21  C   LIG    1        7.856  -0.372  -2.290  0.00  0.00    +0.253 C 
ATOM     22  O   LIG    1        8.161   0.772  -1.498  0.00  0.00    -0.448 OA
ENDBRANCH   7  19
ENDBRANCH   1  11
BRANCH   2  23
ATOM     23  C   LIG    1        0.359  -2.692   2.063  0.00  0.00    +0.421 C 
ATOM     24  F   LIG    1       -0.226  -3.859   2.467  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1        1.143  -2.312   3.107  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        1.202  -3.052   1.056  0.00  0.00    -0.166 F 
ENDBRANCH   2  23
BRANCH   5  27
ATOM     27  N   LIG    1       -3.440   1.125   0.547  0.00  0.00    -0.309 N 
ATOM     28  H   LIG    1       -2.881   1.908   0.223  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1       -4.525   0.705  -0.338  0.00  0.00    +0.087 C 
ATOM     30  C   LIG    1       -4.997   1.904  -1.195  0.00  0.00    +0.103 C 
ATOM     31  N   LIG    1       -6.088   1.603  -2.130  0.00  0.00    -0.314 NA
ATOM     32  H   LIG    1       -5.712   1.379  -3.051  0.00  0.00    +0.122 HD
ATOM     33  C   LIG    1       -6.954   0.509  -1.685  0.00  0.00    +0.081 C 
ATOM     34  C   LIG    1       -7.064   0.429  -0.167  0.00  0.00    +0.017 C 
ATOM     35  C   LIG    1       -5.706   0.156   0.484  0.00  0.00    +0.025 C 
ENDBRANCH  27  29
ENDBRANCH   5  27
TORSDOF 5