REMARK  Name = BDB033787
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.751  -2.376   0.065  0.00  0.00    +0.218 A 
ATOM      2  N   LIG    1       -1.463  -1.269  -0.163  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1       -2.723  -1.241   0.309  0.00  0.00    +0.231 A 
ATOM      4  C   LIG    1       -3.303  -2.267   1.006  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -2.488  -3.355   1.196  0.00  0.00    +0.132 A 
ATOM      6  N   LIG    1       -1.220  -3.428   0.744  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.691  -2.207   1.516  0.00  0.00    +0.424 C 
ATOM      8  F   LIG    1       -4.892  -1.198   2.408  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -5.060  -3.345   2.175  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -5.621  -2.043   0.536  0.00  0.00    -0.166 F 
ENDBRANCH   4   7
BRANCH   1  11
ATOM     11  N   LIG    1        0.550  -2.485  -0.389  0.00  0.00    -0.310 N 
ATOM     12  H   LIG    1        0.981  -3.254   0.112  0.00  0.00    +0.149 HD
BRANCH  11  16
ATOM     13  N   LIG    1        3.301   0.664  -0.354  0.00  0.00    -0.181 NA
ATOM     14  C   LIG    1        3.402  -0.265  -1.519  0.00  0.00    +0.111 C 
ATOM     15  C   LIG    1        2.596  -1.544  -1.301  0.00  0.00    +0.039 C 
ATOM     16  C   LIG    1        1.324  -1.253  -0.504  0.00  0.00    +0.076 C 
ATOM     17  C   LIG    1        1.671  -0.681   0.881  0.00  0.00    +0.039 C 
ATOM     18  C   LIG    1        3.055  -0.039   0.924  0.00  0.00    +0.111 C 
BRANCH  13  20
ATOM     19  C   LIG    1        3.711   3.173   0.572  0.00  0.00    +0.215 C 
ATOM     20  S   LIG    1        4.513   1.863  -0.331  0.00  0.00    +0.029 S 
ATOM     21  O   LIG    1        5.617   1.355   0.453  0.00  0.00    -0.158 OA
ATOM     22  O   LIG    1        4.702   2.323  -1.690  0.00  0.00    -0.158 OA
ENDBRANCH  13  20
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   3  23
ATOM     23  O   LIG    1       -3.478  -0.105   0.088  0.00  0.00    -0.473 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -2.849   0.953  -0.676  0.00  0.00    +0.175 C 
ATOM     25  C   LIG    1       -3.715   2.227  -0.849  0.00  0.00    +0.045 C 
ATOM     26  C   LIG    1       -2.984   2.822   0.367  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1       -1.829   1.849   0.074  0.00  0.00    +0.045 C 
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6