REMARK  Name = BDB030018
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.485  -0.520   3.021  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1       -0.121   0.160   3.486  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        1.814  -0.149   3.025  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        2.215   0.775   3.729  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.770  -0.854   2.147  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        2.724  -2.232   1.955  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        1.803  -2.981   2.585  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        3.651  -2.845   1.115  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        3.595  -4.546   0.850  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        4.636  -2.088   0.480  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        4.716  -0.703   0.689  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        3.778  -0.094   1.532  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        5.764   0.057   0.028  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        6.550  -0.468  -0.975  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        7.379   0.493  -1.316  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        7.159   1.619  -0.578  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1        7.891   2.854  -0.695  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        6.133   1.361   0.288  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -0.127  -1.144   1.760  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.333  -2.144   1.894  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.569  -0.366   1.227  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -2.631  -1.266   1.603  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.502   0.987   1.734  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -1.272  -0.380  -0.535  0.00  0.00    +0.192 C 
BRANCH  24  31
ATOM     25  C   LIG    1       -5.967  -1.800   0.891  0.00  0.00    +0.109 C 
ATOM     26  C   LIG    1       -4.961  -1.905  -0.225  0.00  0.00    +0.213 C 
ATOM     27  N   LIG    1       -4.408  -0.715  -0.662  0.00  0.00    -0.295 N 
ATOM     28  C   LIG    1       -3.497  -0.701  -1.786  0.00  0.00    +0.081 C 
ATOM     29  C   LIG    1       -4.392  -0.134  -2.904  0.00  0.00    +0.024 C 
ATOM     30  C   LIG    1       -5.450   0.712  -2.171  0.00  0.00    +0.024 C 
ATOM     31  C   LIG    1       -2.322   0.255  -1.464  0.00  0.00    +0.032 C 
ATOM     32  C   LIG    1       -2.818   1.657  -1.042  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -4.117   1.643  -0.217  0.00  0.00    +0.023 C 
ATOM     34  C   LIG    1       -5.103   0.563  -0.681  0.00  0.00    +0.076 C 
ATOM     35  O   LIG    1       -4.651  -2.997  -0.700  0.00  0.00    -0.276 OA
ENDBRANCH  24  31
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 6