REMARK  Name = BDB048490
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.713   0.367  -0.116  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -0.456   0.225  -0.592  0.00  0.00    -0.216 NA
ATOM      3  C   LIG    1       -0.040   0.945  -1.659  0.00  0.00    +0.139 A 
ATOM      4  C   LIG    1       -0.883   1.879  -2.275  0.00  0.00    +0.094 A 
ATOM      5  C   LIG    1       -2.185   2.051  -1.780  0.00  0.00    -0.027 A 
ATOM      6  C   LIG    1       -3.139   3.049  -2.378  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1       -2.589   1.280  -0.683  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -2.019  -0.440   0.974  0.00  0.00    -0.283 N 
ATOM      9  H   LIG    1       -1.169  -0.896   1.287  0.00  0.00    +0.155 HD
BRANCH   8  15
ATOM     10  C   LIG    1       -6.717  -1.397   2.315  0.00  0.00    +0.065 C 
ATOM     11  C   LIG    1       -5.255  -1.230   2.173  0.00  0.00    +0.035 A 
ATOM     12  N   LIG    1       -4.371  -1.679   3.110  0.00  0.00    -0.280 N 
ATOM     13  H   LIG    1       -4.569  -2.155   3.985  0.00  0.00    +0.189 HD
ATOM     14  N   LIG    1       -3.090  -1.461   2.786  0.00  0.00    -0.158 NA
ATOM     15  C   LIG    1       -3.139  -0.813   1.619  0.00  0.00    +0.146 A 
ATOM     16  C   LIG    1       -4.477  -0.670   1.183  0.00  0.00    +0.068 A 
ENDBRANCH   8  15
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  N   LIG    1        1.288   0.782  -2.104  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        1.297   0.633  -3.112  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.056  -0.252  -1.402  0.00  0.00    +0.144 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.510  -0.253  -1.891  0.00  0.00    +0.248 C 
BRANCH  20  21
ATOM     21  O   LIG    1        4.269  -1.290  -1.269  0.00  0.00    -0.488 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.888  -1.034  -0.077  0.00  0.00    +0.156 A 
ATOM     23  C   LIG    1        5.692  -2.067   0.418  0.00  0.00    +0.165 A 
ATOM     24  F   LIG    1        5.819  -3.210  -0.274  0.00  0.00    -0.202 F 
ATOM     25  C   LIG    1        6.377  -1.943   1.625  0.00  0.00    +0.042 A 
ATOM     26  C   LIG    1        6.262  -0.769   2.363  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        5.462   0.269   1.888  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        4.776   0.139   0.673  0.00  0.00    +0.048 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3  17
BRANCH   4  29
ATOM     29  C   LIG    1       -0.417   2.651  -3.390  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1       -0.065   3.263  -4.311  0.00  0.00    -0.191 NA
ENDBRANCH   4  29
TORSDOF 8