REMARK  Name = BDB018189
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.190  -0.280   0.616  0.00  0.00    +0.165 A 
ATOM      2  S   LIG    1        1.036  -1.294   0.001  0.00  0.00    -0.052 S 
ATOM      3  C   LIG    1        2.216  -0.141   0.489  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        1.574   0.929   1.087  0.00  0.00    +0.129 A 
ATOM      5  N   LIG    1        0.196   0.846   1.153  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.632  -0.367   0.241  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        4.365   0.602  -0.477  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        5.724   0.391  -0.702  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        6.151   1.482  -1.413  0.00  0.00    -0.277 N 
ATOM     10  H   LIG    1        7.088   1.673  -1.750  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1        5.186   2.379  -1.677  0.00  0.00    -0.181 NA
ATOM     12  C   LIG    1        6.408  -0.741  -0.248  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        5.668  -1.692   0.460  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        4.101   1.840  -1.113  0.00  0.00    +0.143 A 
ATOM     15  C   LIG    1        4.306  -1.512   0.703  0.00  0.00    +0.010 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     16  C   LIG    1       -2.570  -0.145   0.967  0.00  0.00    +0.257 C 
ATOM     17  N   LIG    1       -1.452  -0.774   0.457  0.00  0.00    -0.262 N 
ATOM     18  H   LIG    1       -1.540  -1.690   0.035  0.00  0.00    +0.157 HD
ATOM     19  O   LIG    1       -2.601   0.896   1.615  0.00  0.00    -0.272 OA
BRANCH  16  22
ATOM     20  N   LIG    1       -5.674   0.433  -0.342  0.00  0.00    -0.266 N 
ATOM     21  C   LIG    1       -4.421  -0.294  -0.724  0.00  0.00    +0.166 C 
ATOM     22  C   LIG    1       -3.848  -0.883   0.570  0.00  0.00    +0.204 C 
ATOM     23  F   LIG    1       -3.592  -2.216   0.382  0.00  0.00    -0.230 F 
ATOM     24  C   LIG    1       -4.968  -0.738   1.588  0.00  0.00    +0.071 C 
ATOM     25  C   LIG    1       -5.707   0.510   1.141  0.00  0.00    +0.120 C 
BRANCH  20  27
ATOM     26  N   LIG    1       -6.825   2.059  -1.847  0.00  0.00    -0.174 NA
ATOM     27  C   LIG    1       -6.295   1.308  -1.146  0.00  0.00    +0.169 C 
ENDBRANCH  20  27
ENDBRANCH  16  22
ENDBRANCH   1  17
TORSDOF 4