REMARK  Name = BDB002417
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.685  -1.857   4.693  0.00  0.00    +0.116 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.726  -1.267   3.778  0.00  0.00    +0.229 C 
ATOM      3  N   LIG    1        1.867  -1.919   2.564  0.00  0.00    -0.232 N 
ATOM      4  H   LIG    1        1.041  -2.411   2.194  0.00  0.00    +0.171 HD
ATOM      5  O   LIG    1        2.393  -0.277   4.075  0.00  0.00    -0.274 OA
BRANCH   3   6
ATOM      6  N   LIG    1        2.657  -1.111   1.498  0.00  0.00    -0.108 NA
ATOM      7  H   LIG    1        3.121  -0.316   1.966  0.00  0.00    +0.172 HD
BRANCH   6   8
ATOM      8  S   LIG    1        1.663  -0.488   0.248  0.00  0.00    +0.074 S 
ATOM      9  O   LIG    1        0.832  -1.569  -0.239  0.00  0.00    -0.152 OA
ATOM     10  O   LIG    1        1.080   0.737   0.753  0.00  0.00    -0.152 OA
BRANCH   8  11
ATOM     11  C   LIG    1        2.858  -0.102  -0.996  0.00  0.00    +0.107 A 
ATOM     12  C   LIG    1        3.495  -1.148  -1.671  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        4.446  -0.856  -2.650  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        4.758   0.475  -2.960  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1        5.787   0.801  -4.004  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1        4.104   1.513  -2.279  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        3.147   1.229  -1.302  0.00  0.00    +0.029 A 
ENDBRANCH   8  11
ENDBRANCH   6   8
ENDBRANCH   3   6
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -0.435  -0.852   4.962  0.00  0.00    +0.124 C 
BRANCH  18  23
ATOM     19  C   LIG    1       -2.437  -0.756   0.446  0.00  0.00    +0.028 C 
ATOM     20  C   LIG    1       -2.207  -0.293   1.681  0.00  0.00    +0.077 C 
ATOM     21  C   LIG    1       -1.371  -1.043   2.653  0.00  0.00    +0.258 C 
ATOM     22  O   LIG    1       -0.918  -2.159   2.427  0.00  0.00    -0.269 OA
ATOM     23  N   LIG    1       -1.185  -0.312   3.813  0.00  0.00    -0.255 N 
ATOM     24  C   LIG    1       -1.902   0.874   3.889  0.00  0.00    +0.121 C 
ATOM     25  S   LIG    1       -2.033   1.920   5.185  0.00  0.00    -0.027 S 
ATOM     26  S   LIG    1       -2.751   1.173   2.377  0.00  0.00    -0.061 S 
BRANCH  19  31
ATOM     27  C   LIG    1       -5.479   1.995  -3.615  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1       -4.693   1.261  -2.570  0.00  0.00    -0.050 A 
ATOM     29  C   LIG    1       -3.298   1.380  -2.525  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -2.564   0.717  -1.539  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1       -3.217  -0.063  -0.580  0.00  0.00    -0.024 A 
ATOM     32  C   LIG    1       -4.609  -0.173  -0.611  0.00  0.00    +0.008 A 
ATOM     33  C   LIG    1       -5.343   0.488  -1.600  0.00  0.00    +0.004 A 
ENDBRANCH  19  31
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 7