REMARK  Name = BDB002204
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.110  -0.595   0.634  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1       -1.552  -1.360  -0.444  0.00  0.00    -0.264 N 
ATOM      3  H   LIG    1       -0.845  -1.961  -0.847  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1       -1.807  -0.143   1.532  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        3.146  -0.013   0.890  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        2.351  -0.055   2.039  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        0.970  -0.242   1.948  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1        0.367  -0.398   0.697  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        1.155  -0.334  -0.459  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1        2.541  -0.144  -0.360  0.00  0.00    +0.046 A 
BRANCH   5  11
ATOM     11  O   LIG    1        4.475   0.179   1.133  0.00  0.00    -0.489 OA
BRANCH  11  13
ATOM     12  C   LIG    1        5.585   1.464  -0.594  0.00  0.00    +0.051 C 
ATOM     13  C   LIG    1        5.409   0.092   0.051  0.00  0.00    +0.167 C 
ATOM     14  C   LIG    1        6.733  -0.376   0.652  0.00  0.00    +0.051 C 
ENDBRANCH  11  13
ENDBRANCH   5  11
ENDBRANCH   1   8
BRANCH   2  15
ATOM     15  C   LIG    1       -2.808  -1.767  -0.832  0.00  0.00    +0.140 C 
ATOM     16  S   LIG    1       -2.839  -3.197  -1.720  0.00  0.00    -0.018 S 
BRANCH  15  17
ATOM     17  N   LIG    1       -3.917  -1.009  -0.527  0.00  0.00    -0.308 N 
ATOM     18  C   LIG    1       -3.872   0.449  -0.309  0.00  0.00    +0.135 C 
ATOM     19  C   LIG    1       -5.047   1.145  -1.008  0.00  0.00    +0.178 C 
ATOM     20  O   LIG    1       -6.335   0.699  -0.557  0.00  0.00    -0.377 OA
ATOM     21  C   LIG    1       -6.321  -0.625  -0.005  0.00  0.00    +0.178 C 
ATOM     22  C   LIG    1       -5.287  -1.538  -0.672  0.00  0.00    +0.135 C 
ENDBRANCH  15  17
ENDBRANCH   2  15
TORSDOF 5