REMARK  Name = BDB018173
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.807   0.257  -1.296  0.00  0.00    +0.256 C 
ATOM      2  N   LIG    1        0.073   0.001  -0.249  0.00  0.00    -0.283 N 
ATOM      3  H   LIG    1       -0.325  -0.230   0.654  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.470   0.566  -2.437  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.486   0.033  -0.282  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.147  -0.252   0.925  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1        3.554  -0.236   0.953  0.00  0.00    +0.041 A 
ATOM      8  C   LIG    1        4.312   0.052  -0.183  0.00  0.00    +0.078 A 
ATOM      9  N   LIG    1        5.684   0.030  -0.004  0.00  0.00    -0.247 NA
ATOM     10  C   LIG    1        5.958  -0.269   1.245  0.00  0.00    +0.157 A 
ATOM     11  C   LIG    1        3.636   0.335  -1.384  0.00  0.00    +0.031 A 
ATOM     12  S   LIG    1        4.618  -0.541   2.275  0.00  0.00    -0.075 S 
ATOM     13  C   LIG    1        2.234   0.322  -1.422  0.00  0.00    +0.025 A 
ENDBRANCH   2   5
BRANCH   1  16
ATOM     14  N   LIG    1       -3.599   0.366   1.097  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1       -2.697   1.127   0.165  0.00  0.00    +0.166 C 
ATOM     16  C   LIG    1       -2.294   0.134  -0.932  0.00  0.00    +0.204 C 
ATOM     17  F   LIG    1       -3.107   0.362  -2.014  0.00  0.00    -0.230 F 
ATOM     18  C   LIG    1       -2.676  -1.233  -0.380  0.00  0.00    +0.071 C 
ATOM     19  C   LIG    1       -3.920  -0.925   0.434  0.00  0.00    +0.120 C 
BRANCH  14  21
ATOM     20  N   LIG    1       -5.128   1.489   2.721  0.00  0.00    -0.174 NA
ATOM     21  C   LIG    1       -4.422   0.968   1.967  0.00  0.00    +0.169 C 
ENDBRANCH  14  21
ENDBRANCH   1  16
TORSDOF 3