REMARK  Name = BDB008494
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.687  -1.433   1.808  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.629  -2.734   1.317  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.747  -3.392   0.980  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.598  -3.367   1.153  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.774  -2.699   1.500  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.733  -1.395   2.021  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.488  -0.771   2.188  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        2.247  -0.431   3.174  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.976  -0.756   2.019  0.00  0.00    +0.250 C 
ATOM     10  N   LIG    1        2.801  -0.459   0.932  0.00  0.00    -0.288 N 
ATOM     11  C   LIG    1        4.168  -0.033   1.269  0.00  0.00    +0.184 C 
ATOM     12  C   LIG    1        4.856   0.603   0.114  0.00  0.00    +0.151 A 
ATOM     13  N   LIG    1        6.051   1.151   0.076  0.00  0.00    -0.132 NA
ATOM     14  N   LIG    1        6.273   1.603  -1.205  0.00  0.00    -0.125 NA
ATOM     15  C   LIG    1        5.208   1.323  -1.935  0.00  0.00    +0.238 A 
ATOM     16  N   LIG    1        4.304   0.681  -1.135  0.00  0.00    -0.305 N 
ATOM     17  C   LIG    1        2.987   0.187  -1.456  0.00  0.00    +0.144 C 
ATOM     18  C   LIG    1        2.550  -0.879  -0.453  0.00  0.00    +0.130 C 
BRANCH  15  19
ATOM     19  C   LIG    1        4.964   1.621  -3.365  0.00  0.00    +0.452 C 
ATOM     20  F   LIG    1        5.916   2.398  -3.935  0.00  0.00    -0.163 F 
ATOM     21  F   LIG    1        4.884   0.481  -4.102  0.00  0.00    -0.163 F 
ATOM     22  F   LIG    1        3.774   2.261  -3.539  0.00  0.00    -0.163 F 
ENDBRANCH  15  19
ENDBRANCH   1   9
BRANCH   6  23
ATOM     23  C   LIG    1       -3.013  -0.691   2.417  0.00  0.00    +0.093 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.931  -0.439   1.227  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1       -3.738   0.762   0.373  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1       -4.586   0.903  -0.725  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1       -4.467   2.002  -1.585  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1       -3.493   2.969  -1.343  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -2.645   2.838  -0.245  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -5.620  -0.115  -0.971  0.00  0.00    +0.272 A 
ATOM     31  O   LIG    1       -6.383  -0.033  -1.927  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -5.675  -1.149  -0.071  0.00  0.00    -0.242 N 
ATOM     33  H   LIG    1       -6.385  -1.859  -0.223  0.00  0.00    +0.192 HD
ATOM     34  C   LIG    1       -2.764   1.739   0.613  0.00  0.00    +0.010 A 
ATOM     35  N   LIG    1       -4.854  -1.327   0.997  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 4