REMARK  Name = BDB018186
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.364  -0.765   0.546  0.00  0.00    +0.166 A 
ATOM      2  S   LIG    1        0.303   0.794   0.433  0.00  0.00    -0.052 S 
ATOM      3  C   LIG    1        1.870   0.112   0.229  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        1.759  -1.278   0.259  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1        2.926  -2.050   0.111  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        4.164  -1.416  -0.062  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        4.265  -0.020  -0.093  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        3.106   0.760   0.055  0.00  0.00    +0.026 A 
ATOM      9  N   LIG    1        0.474  -1.765   0.435  0.00  0.00    -0.225 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        5.564   0.607  -0.269  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1        5.786   1.832  -0.865  0.00  0.00    +0.113 A 
ATOM     12  N   LIG    1        7.136   2.035  -0.840  0.00  0.00    -0.284 N 
ATOM     13  H   LIG    1        7.658   2.830  -1.194  0.00  0.00    +0.188 HD
ATOM     14  N   LIG    1        7.818   1.028  -0.273  0.00  0.00    -0.182 NA
ATOM     15  C   LIG    1        6.863   0.161   0.073  0.00  0.00    +0.142 A 
ENDBRANCH   7  10
BRANCH   1  17
ATOM     16  C   LIG    1       -2.696  -0.061   0.945  0.00  0.00    +0.257 C 
ATOM     17  N   LIG    1       -1.704  -0.995   0.718  0.00  0.00    -0.262 N 
ATOM     18  H   LIG    1       -1.938  -1.980   0.788  0.00  0.00    +0.157 HD
ATOM     19  O   LIG    1       -2.556   1.153   1.040  0.00  0.00    -0.272 OA
BRANCH  16  22
ATOM     20  N   LIG    1       -5.777   0.249  -0.427  0.00  0.00    -0.266 N 
ATOM     21  C   LIG    1       -4.696  -0.787  -0.394  0.00  0.00    +0.166 C 
ATOM     22  C   LIG    1       -4.075  -0.722   1.006  0.00  0.00    +0.204 C 
ATOM     23  F   LIG    1       -3.975  -1.990   1.512  0.00  0.00    -0.230 F 
ATOM     24  C   LIG    1       -5.085   0.058   1.831  0.00  0.00    +0.071 C 
ATOM     25  C   LIG    1       -5.696   1.028   0.835  0.00  0.00    +0.120 C 
BRANCH  20  27
ATOM     26  N   LIG    1       -6.778   1.122  -2.541  0.00  0.00    -0.174 NA
ATOM     27  C   LIG    1       -6.319   0.719  -1.559  0.00  0.00    +0.169 C 
ENDBRANCH  20  27
ENDBRANCH  16  22
ENDBRANCH   1  17
TORSDOF 4