REMARK  Name = BDB018958
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.373  -2.628   0.208  0.00  0.00    -0.269 N 
ATOM      2  C   LIG    1       -0.638  -1.677  -0.093  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -2.005  -1.997   0.017  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -2.999  -1.030  -0.228  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.673   0.274  -0.624  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -1.326   0.608  -0.801  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -2.443  -3.374   0.432  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -1.392  -4.382   0.020  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -0.343  -0.376  -0.542  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.052  -3.978   0.614  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1        4.263   0.266   0.799  0.00  0.00    +0.080 A 
ATOM     12  C   LIG    1        3.498  -0.937   0.804  0.00  0.00    +0.106 A 
ATOM     13  C   LIG    1        4.316  -1.971   1.218  0.00  0.00    +0.084 A 
ATOM     14  C   LIG    1        3.801  -3.243   1.294  0.00  0.00    +0.142 A 
ATOM     15  N   LIG    1        2.507  -3.424   0.955  0.00  0.00    -0.220 NA
ATOM     16  C   LIG    1        1.736  -2.381   0.554  0.00  0.00    +0.223 A 
ATOM     17  N   LIG    1        5.552  -1.444   1.475  0.00  0.00    -0.357 N 
ATOM     18  H   LIG    1        6.357  -1.973   1.786  0.00  0.00    +0.165 HD
ATOM     19  N   LIG    1        2.208  -1.136   0.488  0.00  0.00    -0.212 NA
ATOM     20  C   LIG    1        5.537  -0.092   1.228  0.00  0.00    +0.098 A 
BRANCH  11  24
ATOM     21  C   LIG    1        4.189   4.001   0.608  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1        4.596   2.636   0.820  0.00  0.00    -0.314 N 
ATOM     23  H   LIG    1        5.285   2.449   1.533  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        3.797   1.591   0.396  0.00  0.00    +0.247 C 
ATOM     25  O   LIG    1        2.775   1.773  -0.259  0.00  0.00    -0.270 OA
ENDBRANCH  11  24
ENDBRANCH   1  16
BRANCH   5  26
ATOM     26  C   LIG    1       -3.760   1.204  -0.849  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -3.943   2.386  -0.165  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1       -5.088   2.937  -0.662  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1       -5.675   4.200  -0.286  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1       -5.699   2.170  -1.584  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -4.882   1.119  -1.703  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1       -0.863   1.972  -1.252  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1       -1.520   2.427  -2.359  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1       -1.026   2.934  -0.297  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4