REMARK  Name = BDB046009
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.806  -1.207   0.730  0.00  0.00    +0.079 C 
ATOM      2  C   LIG    1       -1.013  -0.145   1.816  0.00  0.00    +0.038 C 
ATOM      3  C   LIG    1        0.308   0.118   2.534  0.00  0.00    +0.086 C 
ATOM      4  N   LIG    1        1.342   0.674   1.650  0.00  0.00    -0.298 NA
ATOM      5  C   LIG    1        1.137   0.359   0.228  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        0.524  -1.018  -0.020  0.00  0.00    +0.038 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -4.459  -0.239  -2.651  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1       -3.646  -0.777  -1.660  0.00  0.00    +0.054 A 
ATOM      9  C   LIG    1       -2.348  -0.356  -1.096  0.00  0.00    +0.248 C 
ATOM     10  N   LIG    1       -1.965  -1.304  -0.160  0.00  0.00    -0.290 N 
ATOM     11  C   LIG    1       -2.970  -2.326   0.029  0.00  0.00    +0.144 C 
ATOM     12  O   LIG    1       -1.738   0.651  -1.401  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1       -4.000  -1.960  -0.986  0.00  0.00    -0.017 A 
ATOM     14  C   LIG    1       -5.171  -2.641  -1.275  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1       -5.999  -2.125  -2.267  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -5.647  -0.945  -2.943  0.00  0.00    +0.014 A 
BRANCH   7  20
ATOM     17  N   LIG    1       -3.236   1.861  -3.101  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1       -3.057   2.641  -3.717  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -2.517   1.648  -2.410  0.00  0.00    +0.145 HD
ATOM     20  C   LIG    1       -4.224   0.997  -3.451  0.00  0.00    +0.242 C 
ATOM     21  O   LIG    1       -4.930   1.255  -4.422  0.00  0.00    -0.270 OA
ENDBRANCH   7  20
ENDBRANCH   1  10
BRANCH   4  22
ATOM     22  C   LIG    1        2.687   0.346   2.144  0.00  0.00    +0.120 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.776   1.227   1.552  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1        4.893   0.702   0.861  0.00  0.00    +0.059 A 
ATOM     25  C   LIG    1        5.864   1.589   0.356  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        5.739   2.967   0.530  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        4.643   3.483   1.211  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        3.672   2.622   1.718  0.00  0.00    +0.005 A 
BRANCH  24  29
ATOM     29  C   LIG    1        5.072  -0.784   0.648  0.00  0.00    +0.418 C 
ATOM     30  F   LIG    1        5.148  -1.474   1.821  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        4.047  -1.347  -0.051  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        6.205  -1.108  -0.039  0.00  0.00    -0.166 F 
ENDBRANCH  24  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5