REMARK  Name = BDB032193
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.369  -1.295  -1.522  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1       -0.964  -0.964  -1.790  0.00  0.00    +0.142 A 
ATOM      3  F   LIG    1       -1.388  -0.848  -3.055  0.00  0.00    -0.204 F 
ATOM      4  C   LIG    1       -1.821  -0.757  -0.731  0.00  0.00    +0.077 A 
ATOM      5  C   LIG    1       -3.241  -0.402  -0.732  0.00  0.00    +0.251 C 
ATOM      6  N   LIG    1       -3.617  -0.246   0.597  0.00  0.00    -0.282 N 
ATOM      7  C   LIG    1       -2.550  -0.615   1.517  0.00  0.00    +0.144 C 
ATOM      8  O   LIG    1       -3.945  -0.273  -1.714  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -1.406  -0.879   0.595  0.00  0.00    -0.015 A 
ATOM     10  C   LIG    1       -0.098  -1.222   0.890  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        0.786  -1.434  -0.175  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -5.016  -0.138   0.991  0.00  0.00    +0.163 C 
ATOM     13  C   LIG    1       -5.621  -1.500   1.371  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -5.067  -2.582   1.190  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -6.859  -1.444   1.968  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -7.241  -2.343   2.229  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -7.335  -0.391   2.707  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -8.230  -0.550   3.532  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -6.714   0.960   2.438  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -5.226   0.833   2.149  0.00  0.00    +0.041 C 
ENDBRANCH   6  12
BRANCH   1  21
ATOM     21  C   LIG    1        1.327  -1.544  -2.659  0.00  0.00    +0.272 C 
BRANCH  21  22
ATOM     22  O   LIG    1        2.563  -0.882  -2.367  0.00  0.00    -0.445 OA
BRANCH  22  25
ATOM     23  N   LIG    1        4.719  -0.439  -3.042  0.00  0.00    -0.251 N 
ATOM     24  H   LIG    1        5.392  -0.642  -3.770  0.00  0.00    +0.158 HD
ATOM     25  C   LIG    1        3.527  -1.063  -3.297  0.00  0.00    +0.405 C 
ATOM     26  O   LIG    1        3.389  -1.743  -4.309  0.00  0.00    -0.226 OA
BRANCH  23  32
ATOM     27  C   LIG    1        6.813   2.952   1.092  0.00  0.00    +0.045 C 
ATOM     28  C   LIG    1        6.221   2.064   0.034  0.00  0.00    -0.032 A 
ATOM     29  C   LIG    1        4.886   1.643   0.077  0.00  0.00    +0.046 A 
ATOM     30 CL   LIG    1        3.833   2.120   1.366  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1        4.355   0.817  -0.925  0.00  0.00    +0.043 A 
ATOM     32  C   LIG    1        5.149   0.392  -1.989  0.00  0.00    +0.038 A 
ATOM     33  C   LIG    1        6.482   0.817  -2.036  0.00  0.00    +0.024 A 
ATOM     34  C   LIG    1        7.014   1.641  -1.039  0.00  0.00    +0.006 A 
ENDBRANCH  23  32
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 5