REMARK  Name = BDB018591
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.276   0.361  -1.401  0.00  0.00    +0.029 A 
ATOM      2  C   LIG    1        1.051   0.266  -1.023  0.00  0.00    +0.063 A 
ATOM      3  C   LIG    1        1.747  -0.496   0.051  0.00  0.00    +0.164 C 
ATOM      4  N   LIG    1        3.216  -0.374  -0.089  0.00  0.00    -0.174 NA
ATOM      5  C   LIG    1        3.692   0.984  -0.461  0.00  0.00    +0.132 C 
ATOM      6  C   LIG    1        3.150   1.346  -1.835  0.00  0.00    +0.161 C 
ATOM      7  N   LIG    1        1.720   1.121  -1.856  0.00  0.00    -0.265 N 
ATOM      8  N   LIG    1        0.933   1.778  -2.724  0.00  0.00    -0.179 NA
ATOM      9  C   LIG    1       -0.288   1.314  -2.444  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -2.528   0.359  -0.239  0.00  0.00    +0.135 A 
ATOM     11  C   LIG    1       -1.388  -0.348  -0.839  0.00  0.00    +0.043 A 
ATOM     12  C   LIG    1       -1.423  -1.695  -0.863  0.00  0.00    +0.101 A 
ATOM     13  N   LIG    1       -2.474  -2.425  -0.339  0.00  0.00    -0.317 N 
ATOM     14  C   LIG    1       -2.416  -3.877  -0.415  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -3.579  -1.817   0.240  0.00  0.00    +0.255 A 
ATOM     16  O   LIG    1       -4.543  -2.408   0.719  0.00  0.00    -0.268 OA
ATOM     17  C   LIG    1       -3.562  -0.334   0.268  0.00  0.00    +0.116 A 
BRANCH  10  18
ATOM     18  O   LIG    1       -2.403   1.732  -0.249  0.00  0.00    -0.491 OA
BRANCH  18  20
ATOM     19  C   LIG    1       -3.262   2.728   1.790  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1       -3.435   2.556   0.291  0.00  0.00    +0.226 C 
ENDBRANCH  18  20
ENDBRANCH  10  18
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  S   LIG    1        4.145  -1.254   1.013  0.00  0.00    +0.029 S 
ATOM     22  O   LIG    1        3.519  -2.546   1.188  0.00  0.00    -0.158 OA
ATOM     23  O   LIG    1        5.529  -1.137   0.611  0.00  0.00    -0.158 OA
ATOM     24  C   LIG    1        3.942  -0.337   2.530  0.00  0.00    +0.215 C 
ENDBRANCH   4  21
TORSDOF 4