REMARK  Name = BDB008421
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.072   0.274   0.271  0.00  0.00    +0.031 C 
ATOM      2  C   LIG    1       -0.642   0.686  -1.046  0.00  0.00    +0.062 C 
ATOM      3  C   LIG    1       -2.110   0.526  -0.858  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -2.723  -0.277   0.081  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -1.968  -1.083   0.997  0.00  0.00    +0.071 A 
ATOM      6  N   LIG    1       -2.469  -1.833   1.924  0.00  0.00    -0.175 NA
ATOM      7  N   LIG    1       -3.780  -2.013   2.240  0.00  0.00    -0.242 N 
ATOM      8  H   LIG    1       -3.901  -2.652   3.021  0.00  0.00    +0.192 HD
ATOM      9  C   LIG    1       -5.002  -1.588   1.763  0.00  0.00    +0.273 A 
ATOM     10  C   LIG    1       -5.190  -0.661   0.636  0.00  0.00    +0.053 A 
ATOM     11  C   LIG    1       -6.487  -0.292   0.235  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1       -6.674   0.593  -0.818  0.00  0.00    +0.126 A 
ATOM     13  C   LIG    1       -5.604   1.151  -1.515  0.00  0.00    +0.064 A 
ATOM     14  C   LIG    1       -4.320   0.776  -1.107  0.00  0.00    +0.051 A 
ATOM     15  F   LIG    1       -7.922   0.927  -1.176  0.00  0.00    -0.205 F 
ATOM     16  O   LIG    1       -6.015  -2.014   2.327  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1       -4.105  -0.119  -0.053  0.00  0.00    +0.021 A 
ATOM     18  N   LIG    1       -3.082   1.154  -1.585  0.00  0.00    -0.357 N 
ATOM     19  H   LIG    1       -2.929   1.803  -2.347  0.00  0.00    +0.166 HD
ATOM     20  C   LIG    1       -0.449  -1.083   0.808  0.00  0.00    +0.066 C 
ENDROOT
BRANCH   1  24
ATOM     21  C   LIG    1        4.437   0.347  -0.188  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1        3.635  -0.583  -0.870  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        2.239  -0.622  -0.727  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        1.579   0.284   0.105  0.00  0.00    -0.043 A 
ATOM     25  C   LIG    1        2.352   1.230   0.779  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        3.747   1.259   0.628  0.00  0.00    +0.023 A 
BRANCH  21  28
ATOM     27  C   LIG    1        6.507  -0.764  -0.933  0.00  0.00    +0.129 C 
ATOM     28  N   LIG    1        5.828   0.391  -0.348  0.00  0.00    -0.336 N 
ATOM     29  C   LIG    1        6.624   1.176   0.595  0.00  0.00    +0.129 C 
ENDBRANCH  21  28
ENDBRANCH   1  24
TORSDOF 2