REMARK  Name = BDB063874
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.320  -3.223  -2.161  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.204  -2.155  -1.595  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.235  -1.356  -0.878  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.503  -1.771  -0.772  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.664  -0.190  -0.413  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.578  -0.260  -0.788  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.904  -1.383  -1.465  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.784  -1.614  -1.885  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.608  -1.062  -0.107  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.899  -1.197  -0.645  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.975  -0.554  -0.005  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.799   0.202   1.155  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.950   0.774   1.674  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.974   0.456   0.916  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.504   0.317   1.694  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.643  -0.533  -0.441  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.426  -0.319   1.063  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.481   0.719  -0.525  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -1.081   1.436   0.076  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.914   0.540  -0.392  0.00  0.00    +0.073 C 
ATOM     21  C   LIG    1       -3.600   1.907  -0.521  0.00  0.00    +0.028 C 
ATOM     22  C   LIG    1       -5.106   1.807  -0.291  0.00  0.00    +0.077 C 
ATOM     23  C   LIG    1       -5.420   1.143   1.039  0.00  0.00    +0.249 C 
ATOM     24  F   LIG    1       -6.760   0.998   1.169  0.00  0.00    -0.206 F 
ATOM     25  F   LIG    1       -5.014   1.955   2.047  0.00  0.00    -0.206 F 
ATOM     26  C   LIG    1       -4.745  -0.211   1.189  0.00  0.00    +0.077 C 
ATOM     27  C   LIG    1       -3.239  -0.114   0.958  0.00  0.00    +0.028 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3