REMARK  Name = BDB032459
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.135  -1.368   0.142  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.786  -0.964   0.683  0.00  0.00    -0.024 A 
ATOM      3  C   LIG    1       -0.210  -0.469  -0.163  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -1.432  -0.111   0.386  0.00  0.00    +0.215 A 
ATOM      5  N   LIG    1       -1.727  -0.214   1.698  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1       -0.750  -0.688   2.500  0.00  0.00    +0.115 A 
ATOM      7  C   LIG    1        0.503  -1.071   2.048  0.00  0.00    +0.025 A 
BRANCH   4   8
ATOM      8  O   LIG    1       -2.380   0.355  -0.503  0.00  0.00    -0.476 OA
BRANCH   8   9
ATOM      9  C   LIG    1       -3.610   0.776   0.092  0.00  0.00    +0.234 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -4.585  -0.406   0.266  0.00  0.00    +0.035 C 
ATOM     11  C   LIG    1       -5.004  -1.007  -1.089  0.00  0.00    +0.081 C 
ATOM     12  C   LIG    1       -6.077  -0.213  -1.756  0.00  0.00    +0.110 A 
ATOM     13  N   LIG    1       -6.869   0.670  -1.067  0.00  0.00    -0.334 N 
ATOM     14  C   LIG    1       -7.766   1.210  -1.939  0.00  0.00    +0.107 A 
ATOM     15  C   LIG    1       -7.479   0.618  -3.146  0.00  0.00    +0.130 A 
ATOM     16  C   LIG    1       -6.711   1.003   0.333  0.00  0.00    +0.123 C 
ATOM     17  N   LIG    1       -6.433  -0.261  -3.023  0.00  0.00    -0.241 NA
ATOM     18  C   LIG    1       -5.832  -0.004   1.074  0.00  0.00    +0.029 C 
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  N   LIG    1        3.159  -0.499   0.711  0.00  0.00    -0.339 N 
ATOM     20  H   LIG    1        2.839   0.469   0.766  0.00  0.00    +0.146 HD
BRANCH  19  24
ATOM     21  C   LIG    1        7.523   1.601  -0.044  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1        6.693   0.457  -0.131  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1        5.340   0.569   0.283  0.00  0.00    +0.043 A 
ATOM     24  C   LIG    1        4.477  -0.572   0.212  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1        5.009  -1.793  -0.232  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        6.329  -1.896  -0.658  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        4.924   1.837   0.729  0.00  0.00    +0.151 A 
ATOM     28  F   LIG    1        3.655   2.058   1.111  0.00  0.00    -0.203 F 
ATOM     29  C   LIG    1        5.812   2.896   0.759  0.00  0.00    +0.151 A 
ATOM     30  C   LIG    1        7.160  -0.783  -0.613  0.00  0.00    +0.012 A 
ATOM     31  N   LIG    1        7.103   2.805   0.384  0.00  0.00    -0.237 NA
BRANCH  21  32
ATOM     32  N   LIG    1        8.871   1.566  -0.413  0.00  0.00    -0.343 N 
ATOM     33  H   LIG    1        9.371   0.861   0.116  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1        9.241   2.496  -0.229  0.00  0.00    +0.144 HD
ENDBRANCH  21  32
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 7