REMARK  Name = BDB033413
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   UNK    1        0.299   2.027   1.824  0.00  0.00    -0.212 N 
ATOM      2  H   UNK    1        0.037   2.809   2.427  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   UNK    1       -4.240  -1.200   0.273  0.00  0.00    +0.044 C 
ATOM      4  C   UNK    1       -3.038  -0.362   0.622  0.00  0.00    -0.040 A 
ATOM      5  C   UNK    1       -1.990  -0.083  -0.298  0.00  0.00    +0.022 A 
ATOM      6  C   UNK    1       -0.909   0.702   0.124  0.00  0.00    +0.071 A 
ATOM      7  N   UNK    1       -0.048   0.823  -0.946  0.00  0.00    -0.358 N 
ATOM      8  H   UNK    1        0.847   1.301  -0.905  0.00  0.00    +0.165 HD
ATOM      9  C   UNK    1       -0.530   0.138  -2.027  0.00  0.00    +0.102 A 
ATOM     10  C   UNK    1       -0.822   1.240   1.413  0.00  0.00    +0.072 A 
ATOM     11  C   UNK    1       -1.848   0.950   2.311  0.00  0.00    +0.027 A 
ATOM     12  C   UNK    1       -1.730  -0.430  -1.663  0.00  0.00    +0.077 A 
ATOM     13  C   UNK    1       -2.933   0.167   1.924  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   UNK    1       -2.536  -1.229  -2.532  0.00  0.00    +0.101 C 
ATOM     15  N   UNK    1       -3.190  -1.880  -3.236  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   UNK    1        1.556   1.188   2.625  0.00  0.00    +0.096 S 
ATOM     17  O   UNK    1        0.972   0.193   3.500  0.00  0.00    -0.148 OA
ATOM     18  O   UNK    1        2.434   2.215   3.151  0.00  0.00    -0.148 OA
BRANCH  16  19
ATOM     19  C   UNK    1        2.537   0.314   1.423  0.00  0.00    +0.236 A 
ATOM     20  S   UNK    1        3.620  -0.876   1.997  0.00  0.00    -0.055 S 
ATOM     21  C   UNK    1        4.122  -1.171   0.383  0.00  0.00    +0.083 A 
ATOM     22  C   UNK    1        3.443  -0.343  -0.497  0.00  0.00    +0.157 A 
ATOM     23  N   UNK    1        2.539   0.527   0.120  0.00  0.00    -0.214 NA
BRANCH  22  24
ATOM     24  C   UNK    1        3.615  -0.342  -1.948  0.00  0.00    +0.356 C 
ATOM     25  O   UNK    1        2.987   0.356  -2.732  0.00  0.00    -0.243 OA
BRANCH  24  26
ATOM     26  O   UNK    1        4.550  -1.204  -2.410  0.00  0.00    -0.476 OA
ATOM     27  H   UNK    1        4.523  -1.067  -3.380  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6