REMARK  Name = BDB032862
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.122  -0.318  -0.364  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        1.125  -0.477   0.201  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        1.252  -1.110   0.979  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1       -0.449   0.539  -1.179  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -2.523  -0.843   0.240  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.174  -1.261   0.139  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -0.812  -2.570   0.507  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -1.766  -3.448   1.018  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -3.084  -3.028   1.157  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -3.461  -1.739   0.767  0.00  0.00    +0.024 A 
BRANCH   5  13
ATOM     11  C   LIG    1       -4.107   2.429  -0.805  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -4.121   1.067  -0.155  0.00  0.00    +0.214 C 
ATOM     13  N   LIG    1       -2.886   0.454  -0.204  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1       -2.139   0.966  -0.678  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1       -5.151   0.613   0.330  0.00  0.00    -0.276 OA
ENDBRANCH   5  13
ENDBRANCH   1   6
BRANCH   2  16
ATOM     16  C   LIG    1        2.261   0.232  -0.096  0.00  0.00    +0.167 A 
ATOM     17  S   LIG    1        2.353   1.374  -1.349  0.00  0.00    -0.029 S 
ATOM     18  C   LIG    1        3.988   1.667  -0.961  0.00  0.00    +0.178 A 
ATOM     19  C   LIG    1        4.393   0.863   0.086  0.00  0.00    +0.182 A 
ATOM     20  N   LIG    1        3.367   0.032   0.579  0.00  0.00    -0.218 NA
BRANCH  19  21
ATOM     21  C   LIG    1        5.757   0.806   0.690  0.00  0.00    +0.437 C 
ATOM     22  F   LIG    1        6.724   0.585  -0.238  0.00  0.00    -0.164 F 
ATOM     23  F   LIG    1        5.872  -0.201   1.599  0.00  0.00    -0.164 F 
ATOM     24  F   LIG    1        6.077   1.949   1.349  0.00  0.00    -0.164 F 
ENDBRANCH  19  21
BRANCH  18  25
ATOM     25  N   LIG    1        4.777   2.650  -1.720  0.00  0.00    -0.021 NA
ATOM     26  O   LIG    1        5.802   3.049  -1.161  0.00  0.00    -0.143 OA
ENDBRANCH  18  25
ENDBRANCH   2  16
TORSDOF 5