REMARK  Name = BDB014740
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.352  -2.819   3.719  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.494  -2.449   2.805  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.190  -1.671   1.693  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.801  -1.450   1.244  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.725  -0.324   0.275  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.607   0.297  -0.338  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.009   1.268  -1.163  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.355   1.285  -1.084  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -2.828   0.333  -0.231  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.229   0.013   0.145  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.269  -1.419   0.716  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -4.637  -2.823   3.067  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -3.063   2.244  -1.900  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -3.904   1.629  -3.010  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -5.100   2.422  -3.132  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -4.954   3.575  -2.295  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -4.032   3.157  -1.174  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        0.664  -0.092  -0.083  0.00  0.00    -0.296 N 
ATOM     19  H   LIG    1        0.816  -0.847   0.579  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.910   0.365  -0.581  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1        3.085  -0.249  -0.093  0.00  0.00    +0.155 A 
ATOM     22  F   LIG    1        2.926  -1.242   0.803  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        4.370   0.122  -0.518  0.00  0.00    +0.057 A 
ATOM     24  C   LIG    1        4.455   1.142  -1.469  0.00  0.00    +0.134 A 
ATOM     25  F   LIG    1        5.646   1.559  -1.927  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        3.316   1.771  -1.968  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1        2.050   1.385  -1.524  0.00  0.00    +0.029 A 
BRANCH  23  28
ATOM     28  C   LIG    1        5.572  -0.523  -0.012  0.00  0.00    +0.025 A 
ATOM     29  C   LIG    1        5.713  -1.098   1.236  0.00  0.00    +0.116 A 
ATOM     30  N   LIG    1        6.991  -1.572   1.303  0.00  0.00    -0.274 N 
ATOM     31  C   LIG    1        7.606  -2.259   2.412  0.00  0.00    +0.172 C 
ATOM     32  N   LIG    1        7.705  -1.342   0.189  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1        6.846  -0.697  -0.605  0.00  0.00    +0.143 A 
ENDBRANCH  23  28
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4