REMARK  Name = BDB002233
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.477  -1.132   2.327  0.00  0.00    +0.135 C 
ATOM      2  S   LIG    1       -1.027  -1.647   3.817  0.00  0.00    -0.019 S 
ENDROOT
BRANCH   1   3
ATOM      3  N   LIG    1       -1.186  -0.614   1.272  0.00  0.00    -0.297 N 
ATOM      4  H   LIG    1       -0.626  -0.048   0.653  0.00  0.00    +0.154 HD
BRANCH   3   8
ATOM      5  C   LIG    1       -5.290  -0.388   0.241  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -4.871  -1.311   1.199  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -3.523  -1.411   1.568  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1       -2.569  -0.579   0.989  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -2.989   0.326   0.005  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -4.338   0.427  -0.364  0.00  0.00    +0.047 A 
BRANCH   5  11
ATOM     11  O   LIG    1       -6.630  -0.406  -0.021  0.00  0.00    -0.492 OA
BRANCH  11  13
ATOM     12  C   LIG    1       -7.181   0.171  -2.309  0.00  0.00    +0.048 C 
ATOM     13  C   LIG    1       -7.183   0.610  -0.855  0.00  0.00    +0.225 C 
ENDBRANCH  11  13
ENDBRANCH   5  11
ENDBRANCH   3   8
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  N   LIG    1        0.877  -1.203   2.137  0.00  0.00    -0.326 N 
ATOM     15  H   LIG    1        1.375  -1.578   2.938  0.00  0.00    +0.148 HD
BRANCH  14  16
ATOM     16  C   LIG    1        1.672  -0.928   0.946  0.00  0.00    +0.104 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.137   0.526   0.918  0.00  0.00    +0.034 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.908   0.875  -0.362  0.00  0.00    +0.086 C 
BRANCH  18  19
ATOM     19  N   LIG    1        4.107   0.056  -0.580  0.00  0.00    -0.298 NA
ATOM     20  C   LIG    1        5.122   0.262   0.481  0.00  0.00    +0.112 C 
ATOM     21  C   LIG    1        6.541  -0.075  -0.002  0.00  0.00    +0.175 C 
ATOM     22  O   LIG    1        6.980   0.784  -1.062  0.00  0.00    -0.377 OA
ATOM     23  C   LIG    1        5.905   1.252  -1.888  0.00  0.00    +0.175 C 
ATOM     24  C   LIG    1        4.702   0.296  -1.915  0.00  0.00    +0.112 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 9