REMARK  Name = BDB018178
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.988  -0.022  -0.892  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1        0.926  -0.245  -0.038  0.00  0.00    -0.262 N 
ATOM      3  H   LIG    1        1.078  -0.733   0.836  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1        1.938   0.449  -2.023  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   7
ATOM      5  N   LIG    1        5.697  -0.272  -0.524  0.00  0.00    -0.266 N 
ATOM      6  C   LIG    1        4.429  -0.690  -1.212  0.00  0.00    +0.166 C 
ATOM      7  C   LIG    1        3.310  -0.372  -0.222  0.00  0.00    +0.204 C 
ATOM      8  F   LIG    1        3.159  -1.419   0.651  0.00  0.00    -0.230 F 
ATOM      9  C   LIG    1        3.869   0.802   0.565  0.00  0.00    +0.071 C 
ATOM     10  C   LIG    1        5.328   0.411   0.742  0.00  0.00    +0.120 C 
BRANCH   5  12
ATOM     11  N   LIG    1        7.921  -1.324  -0.943  0.00  0.00    -0.174 NA
ATOM     12  C   LIG    1        6.891  -0.832  -0.754  0.00  0.00    +0.169 C 
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  13
ATOM     13  C   LIG    1       -0.365   0.044  -0.373  0.00  0.00    +0.165 A 
ATOM     14  S   LIG    1       -1.508  -0.423   0.803  0.00  0.00    -0.052 S 
ATOM     15  C   LIG    1       -2.772   0.193  -0.192  0.00  0.00    +0.041 A 
ATOM     16  C   LIG    1       -2.208   0.708  -1.348  0.00  0.00    +0.129 A 
ATOM     17  N   LIG    1       -0.832   0.626  -1.444  0.00  0.00    -0.232 NA
BRANCH  15  18
ATOM     18  C   LIG    1       -4.180   0.104   0.204  0.00  0.00    -0.010 A 
ATOM     19  C   LIG    1       -4.595   0.362   1.519  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1       -5.945   0.281   1.872  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -6.899  -0.056   0.915  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -6.504  -0.311  -0.396  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.155  -0.230  -0.750  0.00  0.00    +0.009 A 
ENDBRANCH  15  18
ENDBRANCH   2  13
TORSDOF 4