REMARK  Name = BDB063875
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.782  -2.846  -2.572  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.653  -1.851  -1.888  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.680  -1.116  -1.101  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.952  -1.529  -1.038  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        1.093  -0.028  -0.489  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.155  -0.086  -0.846  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.468  -1.125  -1.651  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.353  -1.324  -2.080  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        4.044  -0.894  -0.282  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.027  -1.723   0.284  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.096  -1.133   0.982  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.216   0.252   1.117  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.322   0.687   1.830  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        8.022  -0.351   2.226  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.236   1.073   0.530  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.422  -1.891   1.782  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.166   0.493  -0.167  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.075   0.830  -0.448  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -0.670   1.483   0.221  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.500   0.571  -0.255  0.00  0.00    +0.078 C 
ATOM     21  C   LIG    1       -3.243   1.908  -0.299  0.00  0.00    +0.097 C 
ATOM     22  C   LIG    1       -4.690   1.761  -0.740  0.00  0.00    +0.251 C 
ATOM     23  F   LIG    1       -5.176   3.006  -1.010  0.00  0.00    -0.206 F 
ATOM     24  F   LIG    1       -4.728   1.086  -1.921  0.00  0.00    -0.206 F 
ATOM     25  C   LIG    1       -5.648   1.099   0.234  0.00  0.00    +0.075 C 
ATOM     26  C   LIG    1       -5.226  -0.282   0.727  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1       -4.056  -0.213   1.701  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1       -2.673  -0.211   1.056  0.00  0.00    +0.022 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3