REMARK  Name = BDB063643
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.140  -0.280  -0.953  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -1.084   0.186  -0.065  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1       -0.711   0.702   0.734  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.378  -0.780  -2.046  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.448   0.179  -0.151  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1       -3.242   1.002   0.820  0.00  0.00    +0.293 A 
ATOM      7  O   LIG    1       -2.711   1.585   1.753  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -4.588   0.853   0.467  0.00  0.00    -0.213 N 
ATOM      9  N   LIG    1       -4.677  -0.076  -0.611  0.00  0.00    -0.282 N 
ATOM     10  C   LIG    1       -5.545   0.388  -1.707  0.00  0.00    +0.171 C 
ATOM     11  C   LIG    1       -3.354  -0.446  -0.922  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -3.122  -1.485  -1.971  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.662   1.019   1.377  0.00  0.00    +0.102 A 
ATOM     14  C   LIG    1       -5.707   2.110   2.255  0.00  0.00    +0.149 A 
ATOM     15  F   LIG    1       -4.785   3.082   2.196  0.00  0.00    -0.203 F 
ATOM     16  C   LIG    1       -6.756   2.272   3.160  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -7.791   1.341   3.200  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -7.776   0.256   2.327  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -6.722   0.099   1.419  0.00  0.00    +0.031 A 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  23
ATOM     20  C   LIG    1        3.447  -0.015  -0.264  0.00  0.00    +0.171 A 
ATOM     21  C   LIG    1        2.462  -0.470  -1.120  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1        2.611  -1.202  -2.401  0.00  0.00    +0.050 C 
ATOM     23  C   LIG    1        1.241  -0.082  -0.482  0.00  0.00    +0.171 A 
ATOM     24  N   LIG    1        1.488   0.534   0.687  0.00  0.00    -0.073 NA
ATOM     25  O   LIG    1        2.859   0.571   0.816  0.00  0.00    -0.354 OA
BRANCH  20  29
ATOM     26  C   LIG    1        7.729   0.005  -0.224  0.00  0.00    +0.120 A 
ATOM     27  C   LIG    1        7.015  -0.158   0.962  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        5.614  -0.162   0.944  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1        4.904  -0.007  -0.256  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        5.631   0.163  -1.439  0.00  0.00    +0.015 A 
ATOM     31  C   LIG    1        7.030   0.166  -1.421  0.00  0.00    +0.046 A 
BRANCH  26  33
ATOM     32  C   LIG    1        9.848  -0.114   0.848  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        9.091   0.028  -0.348  0.00  0.00    -0.495 OA
ENDBRANCH  26  33
ENDBRANCH  20  29
ENDBRANCH   1  23
TORSDOF 5