REMARK  Name = BDB008367
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.270   0.504  -1.828  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        1.188  -0.390  -1.796  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.124   0.092  -1.878  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.360   1.453  -2.048  0.00  0.00    +0.135 A 
ATOM      5  F   LIG    1       -1.610   1.923  -2.163  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1        0.702   2.348  -2.097  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        2.013   1.876  -1.988  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -1.240  -0.870  -1.865  0.00  0.00    +0.250 C 
ATOM      9  N   LIG    1       -2.222  -0.772  -0.876  0.00  0.00    -0.288 N 
ATOM     10  C   LIG    1       -3.283  -1.787  -0.891  0.00  0.00    +0.133 C 
ATOM     11  C   LIG    1       -4.611  -1.236  -0.350  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -5.238  -0.240  -1.327  0.00  0.00    +0.032 C 
ATOM     13  N   LIG    1       -4.364  -0.618   0.942  0.00  0.00    -0.302 N 
ATOM     14  C   LIG    1       -3.155  -0.080   1.293  0.00  0.00    +0.151 A 
ATOM     15  N   LIG    1       -3.236   0.373   2.524  0.00  0.00    -0.132 NA
ATOM     16  N   LIG    1       -4.503   0.111   2.988  0.00  0.00    -0.125 NA
ATOM     17  C   LIG    1       -5.181  -0.504   2.034  0.00  0.00    +0.238 A 
ATOM     18  C   LIG    1       -1.967  -0.079   0.398  0.00  0.00    +0.184 C 
ATOM     19  O   LIG    1       -1.236  -1.747  -2.726  0.00  0.00    -0.270 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -6.571  -1.017   2.088  0.00  0.00    +0.452 C 
ATOM     21  F   LIG    1       -6.609  -2.361   1.873  0.00  0.00    -0.163 F 
ATOM     22  F   LIG    1       -7.351  -0.460   1.125  0.00  0.00    -0.163 F 
ATOM     23  F   LIG    1       -7.188  -0.792   3.274  0.00  0.00    -0.163 F 
ENDBRANCH  17  20
ENDBRANCH   3   8
BRANCH   1  24
ATOM     24  C   LIG    1        3.690  -0.014  -1.752  0.00  0.00    +0.092 C 
BRANCH  24  34
ATOM     25  C   LIG    1        3.413  -0.755   1.132  0.00  0.00    +0.046 C 
ATOM     26  C   LIG    1        4.365   0.342   0.761  0.00  0.00    -0.019 A 
ATOM     27  C   LIG    1        5.106   1.050   1.637  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        5.080   0.926   3.134  0.00  0.00    +0.050 C 
ATOM     29  C   LIG    1        6.062   2.079   1.134  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1        6.769   2.733   1.895  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1        6.114   2.249  -0.220  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1        6.763   2.945  -0.574  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1        5.367   1.587  -1.136  0.00  0.00    -0.175 NA
ATOM     34  C   LIG    1        4.539   0.689  -0.693  0.00  0.00    +0.069 A 
ENDBRANCH  24  34
ENDBRANCH   1  24
TORSDOF 4