REMARK  Name = BDB003874
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.346   1.561  -0.686  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.129   1.498  -0.539  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.283   1.480  -1.617  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -3.838   1.700  -2.440  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -2.582   0.354  -1.963  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -2.707  -0.070  -3.113  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -1.718  -0.351  -0.920  0.00  0.00    +0.064 C 
ATOM      8  C   LIG    1       -0.524   0.518  -0.503  0.00  0.00    +0.122 C 
ATOM      9  N   LIG    1        0.462  -0.450   0.005  0.00  0.00    -0.314 N 
ATOM     10  C   LIG    1        0.280  -1.730  -0.696  0.00  0.00    +0.107 C 
ATOM     11  C   LIG    1       -0.955  -1.527  -1.576  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -2.596  -0.887   0.229  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -3.035   0.114   1.295  0.00  0.00    +0.010 C 
ATOM     14  C   LIG    1       -3.473   1.486   0.815  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   9  15
ATOM     15  C   LIG    1        1.761   0.011   0.173  0.00  0.00    +0.133 A 
ATOM     16  C   LIG    1        2.711  -0.677   0.935  0.00  0.00    +0.097 A 
ATOM     17  C   LIG    1        4.019  -0.151   1.031  0.00  0.00    +0.050 A 
ATOM     18  C   LIG    1        4.328   1.050   0.399  0.00  0.00    +0.145 A 
ATOM     19  C   LIG    1        3.334   1.693  -0.302  0.00  0.00    +0.145 A 
ATOM     20  N   LIG    1        2.077   1.196  -0.412  0.00  0.00    -0.237 NA
BRANCH  16  21
ATOM     21  C   LIG    1        2.382  -1.944   1.671  0.00  0.00    +0.421 C 
ATOM     22  F   LIG    1        3.318  -2.258   2.616  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        1.200  -1.919   2.346  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1        2.335  -3.030   0.849  0.00  0.00    -0.166 F 
ENDBRANCH  16  21
BRANCH  18  25
ATOM     25  N   LIG    1        5.660   1.631   0.478  0.00  0.00    +0.058 N 
ATOM     26  O   LIG    1        5.850   2.716  -0.087  0.00  0.00    -0.126 OA
ATOM     27  O   LIG    1        6.522   1.001   1.107  0.00  0.00    -0.126 OA
ENDBRANCH  18  25
ENDBRANCH   9  15
TORSDOF 3