REMARK  Name = BDB018188
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.154  -0.927  -0.691  0.00  0.00    +0.165 A 
ATOM      2  S   LIG    1        0.651  -0.294   0.666  0.00  0.00    -0.052 S 
ATOM      3  C   LIG    1        2.158  -0.482  -0.136  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        1.927  -1.017  -1.390  0.00  0.00    +0.129 A 
ATOM      5  N   LIG    1        0.603  -1.261  -1.708  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.407  -0.094   0.506  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        4.290   0.772  -0.175  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        5.492   1.127   0.433  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        6.120   1.960  -0.455  0.00  0.00    -0.277 N 
ATOM     10  H   LIG    1        7.020   2.413  -0.347  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1        5.428   2.181  -1.586  0.00  0.00    -0.181 NA
ATOM     12  C   LIG    1        5.875   0.668   1.697  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        4.989  -0.184   2.362  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        4.313   1.469  -1.409  0.00  0.00    +0.143 A 
ATOM     15  C   LIG    1        3.777  -0.561   1.781  0.00  0.00    +0.010 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     16  C   LIG    1       -2.431  -0.865   0.254  0.00  0.00    +0.257 C 
ATOM     17  N   LIG    1       -1.515  -1.064  -0.759  0.00  0.00    -0.262 N 
ATOM     18  H   LIG    1       -1.835  -1.468  -1.633  0.00  0.00    +0.157 HD
ATOM     19  O   LIG    1       -2.191  -0.539   1.412  0.00  0.00    -0.272 OA
BRANCH  16  22
ATOM     20  N   LIG    1       -5.400   0.773   0.233  0.00  0.00    -0.266 N 
ATOM     21  C   LIG    1       -4.412   0.286  -0.781  0.00  0.00    +0.166 C 
ATOM     22  C   LIG    1       -3.865  -1.044  -0.252  0.00  0.00    +0.204 C 
ATOM     23  F   LIG    1       -3.905  -1.976  -1.253  0.00  0.00    -0.230 F 
ATOM     24  C   LIG    1       -4.845  -1.450   0.836  0.00  0.00    +0.071 C 
ATOM     25  C   LIG    1       -5.316  -0.126   1.412  0.00  0.00    +0.120 C 
BRANCH  20  27
ATOM     26  N   LIG    1       -6.224   3.127   0.332  0.00  0.00    -0.174 NA
ATOM     27  C   LIG    1       -5.847   2.035   0.289  0.00  0.00    +0.169 C 
ENDBRANCH  20  27
ENDBRANCH  16  22
ENDBRANCH   1  17
TORSDOF 4