REMARK  Name = BDB036804
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.737   0.223  -0.309  0.00  0.00    -0.300 N 
ATOM      2  H   LIG    1       -0.571  -0.365  -1.121  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.384   0.630   0.385  0.00  0.00    +0.245 C 
ATOM      4  O   LIG    1        0.423   1.650   1.062  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -5.220  -1.271   0.305  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -4.324  -0.448   0.145  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -4.050   0.058  -1.098  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -4.596  -0.369  -1.835  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -2.816   0.506  -1.490  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -2.415   0.314  -2.638  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -1.908   1.094  -0.402  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -2.668   1.255   0.915  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -3.408  -0.025   1.268  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        1.599  -0.218   0.250  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1        2.843   0.365   0.506  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1        3.992  -0.414   0.390  0.00  0.00    +0.144 A 
ATOM     17  N   LIG    1        3.926  -1.733   0.048  0.00  0.00    -0.251 NA
ATOM     18  C   LIG    1        2.711  -2.275  -0.177  0.00  0.00    +0.112 A 
ATOM     19  C   LIG    1        1.527  -1.568  -0.089  0.00  0.00    +0.033 A 
BRANCH  16  20
ATOM     20  C   LIG    1        5.345   0.225   0.680  0.00  0.00    +0.434 C 
ATOM     21  F   LIG    1        6.415  -0.531   0.305  0.00  0.00    -0.164 F 
ATOM     22  F   LIG    1        5.521   0.492   2.006  0.00  0.00    -0.164 F 
ATOM     23  F   LIG    1        5.501   1.423   0.043  0.00  0.00    -0.164 F 
ENDBRANCH  16  20
ENDBRANCH   3  14
TORSDOF 3