REMARK  Name = BDB004818
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.435   0.369   1.231  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.740   0.018   0.342  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        1.299  -1.272   0.363  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        2.398  -1.602  -0.446  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1        2.892  -0.630  -1.322  0.00  0.00    +0.145 A 
ATOM      6  F   LIG    1        3.846  -0.916  -2.218  0.00  0.00    -0.204 F 
ATOM      7  C   LIG    1        2.351   0.654  -1.354  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1        1.285   0.981  -0.519  0.00  0.00    +0.008 A 
BRANCH   4   9
ATOM      9  N   LIG    1        2.875  -2.926  -0.346  0.00  0.00    -0.279 N 
ATOM     10  H   LIG    1        2.212  -3.621  -0.023  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        4.033  -3.509  -0.810  0.00  0.00    +0.248 C 
ATOM     12  O   LIG    1        4.054  -4.719  -1.037  0.00  0.00    -0.270 OA
BRANCH  11  13
ATOM     13  C   LIG    1        5.300  -2.745  -0.904  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1        6.168  -3.012  -1.971  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1        7.385  -2.333  -2.067  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1        7.738  -1.406  -1.087  0.00  0.00    +0.018 A 
ATOM     17 BR   LIG    1        9.386  -0.487  -1.217  0.00  0.00    -0.050 Br
ATOM     18  C   LIG    1        6.893  -1.156  -0.005  0.00  0.00    +0.016 A 
ATOM     19  C   LIG    1        5.674  -1.833   0.092  0.00  0.00    +0.014 A 
ENDBRANCH  11  13
ENDBRANCH   4   9
ENDBRANCH   1   2
BRANCH   1  20
ATOM     20  N   LIG    1       -1.571   0.718   0.386  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1       -1.783  -0.028  -0.272  0.00  0.00    +0.148 HD
BRANCH  20  25
ATOM     22  C   LIG    1       -6.203   2.141   0.387  0.00  0.00    +0.063 A 
ATOM     23  C   LIG    1       -5.045   1.763   1.099  0.00  0.00    +0.088 A 
ATOM     24  C   LIG    1       -3.894   1.451   0.350  0.00  0.00    +0.041 A 
ATOM     25  C   LIG    1       -2.751   1.064   1.080  0.00  0.00    +0.130 A 
ATOM     26  N   LIG    1       -2.732   1.034   2.422  0.00  0.00    -0.220 NA
ATOM     27  C   LIG    1       -3.866   1.357   3.040  0.00  0.00    +0.223 A 
ATOM     28  C   LIG    1       -3.915   1.547  -1.065  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1       -5.062   1.931  -1.746  0.00  0.00    +0.002 A 
ATOM     30  N   LIG    1       -5.016   1.705   2.451  0.00  0.00    -0.235 NA
ATOM     31  C   LIG    1       -6.205   2.224  -1.020  0.00  0.00    +0.015 A 
BRANCH  22  35
ATOM     32  N   LIG    1       -7.619   2.270   2.393  0.00  0.00    -0.325 N 
ATOM     33  H   LIG    1       -8.454   2.602   2.856  0.00  0.00    +0.145 HD
ATOM     34  H   LIG    1       -6.803   2.033   2.949  0.00  0.00    +0.145 HD
ATOM     35  C   LIG    1       -7.498   2.485   1.052  0.00  0.00    +0.244 C 
ATOM     36  O   LIG    1       -8.444   2.942   0.418  0.00  0.00    -0.270 OA
ENDBRANCH  22  35
ENDBRANCH  20  25
ENDBRANCH   1  20
TORSDOF 6