REMARK  Name = BDB013193
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.245  -0.613  -0.764  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1       -0.287   0.532  -1.369  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1       -1.348   1.233  -0.849  0.00  0.00    +0.174 A 
ATOM      4  N   LIG    1       -1.612   2.261  -1.629  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1       -0.751   2.208  -2.704  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.922   0.734   0.349  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1       -1.370  -0.388   0.861  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1        0.021   1.157  -2.541  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1       -0.307  -1.088   0.322  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -3.005   1.326   1.048  0.00  0.00    +0.074 A 
ATOM     11  N   LIG    1       -4.295   1.263   0.570  0.00  0.00    -0.261 N 
ATOM     12  N   LIG    1       -5.199   1.825   1.397  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1       -4.457   2.320   2.389  0.00  0.00    +0.135 A 
ATOM     14  C   LIG    1       -3.090   2.032   2.232  0.00  0.00    +0.049 A 
BRANCH  11  15
ATOM     15  C   LIG    1       -4.731   0.522  -0.643  0.00  0.00    +0.108 C 
ATOM     16  C   LIG    1       -6.005   0.864  -1.385  0.00  0.00    +0.029 C 
ATOM     17  C   LIG    1       -4.677   1.139  -2.021  0.00  0.00    +0.029 C 
ENDBRANCH  11  15
ENDBRANCH   6  10
BRANCH   1  18
ATOM     18  N   LIG    1        1.325  -1.280  -1.304  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1        1.412  -2.161  -0.799  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.642  -0.646  -1.357  0.00  0.00    +0.143 C 
BRANCH  20  23
ATOM     21  F   LIG    1        2.466   1.742   0.125  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        3.099   0.715   0.710  0.00  0.00    +0.129 A 
ATOM     23  C   LIG    1        3.232  -0.496   0.014  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        3.887  -1.531   0.675  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.124  -2.936   0.265  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1        5.134  -3.343   1.339  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1        4.981  -2.473   2.482  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        4.379  -1.356   1.963  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1        4.244  -0.167   2.651  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        3.596   0.886   2.008  0.00  0.00    +0.042 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5