REMARK  Name = BDB032687
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.119  -0.398  -0.451  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.110   0.509  -0.736  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.046   1.286  -1.668  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.122   0.397   0.342  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -2.591  -0.535   1.266  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -1.848  -0.831   2.393  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -0.627  -0.168   2.573  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -0.161   0.788   1.639  0.00  0.00    -0.010 A 
ATOM      9  C   LIG    1       -0.924   1.069   0.496  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -3.909  -1.080   0.821  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -9.451  -0.851  -1.739  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -8.238  -0.703  -1.629  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -7.394  -1.784  -1.616  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -7.849  -2.687  -1.638  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -6.069  -1.799  -1.242  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -5.514  -2.868  -0.997  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.372  -0.429  -1.198  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -6.350   0.619  -0.663  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -7.593   0.658  -1.537  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1        1.169   1.470   1.847  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.142   0.766   1.072  0.00  0.00    -0.445 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.401   1.259   1.196  0.00  0.00    +0.405 C 
ATOM     23  N   LIG    1        4.223   0.512   0.402  0.00  0.00    -0.251 N 
ATOM     24  H   LIG    1        3.736  -0.217  -0.100  0.00  0.00    +0.158 HD
ATOM     25  O   LIG    1        3.694   2.205   1.911  0.00  0.00    -0.226 OA
BRANCH  23  26
ATOM     26  C   LIG    1        5.608   0.651   0.199  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        6.222  -0.259  -0.677  0.00  0.00    +0.069 A 
ATOM     28  C   LIG    1        7.596  -0.186  -0.931  0.00  0.00    +0.129 A 
ATOM     29  C   LIG    1        8.352   0.819  -0.329  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1        7.751   1.723   0.544  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        6.383   1.636   0.811  0.00  0.00    +0.023 A 
BRANCH  28  32
ATOM     32  O   LIG    1        8.297  -1.009  -1.768  0.00  0.00    -0.434 OA
BRANCH  32  33
ATOM     33  C   LIG    1        7.734  -2.290  -1.998  0.00  0.00    +0.541 C 
ATOM     34  F   LIG    1        6.702  -2.174  -2.870  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1        8.680  -3.043  -2.615  0.00  0.00    -0.166 F 
ENDBRANCH  32  33
ENDBRANCH  28  32
ENDBRANCH  23  26
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 7