REMARK  Name = BDB063721
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.780   0.429  -0.900  0.00  0.00    -0.010 C 
ATOM      2  C   LIG    1        2.878   0.901  -2.039  0.00  0.00    +0.108 C 
ATOM      3  S   LIG    1        1.126   0.409  -1.886  0.00  0.00    -0.131 S 
ATOM      4  C   LIG    1        1.533  -1.311  -1.511  0.00  0.00    +0.169 C 
ATOM      5  N   LIG    1        2.285  -1.303  -0.278  0.00  0.00    -0.249 N 
ATOM      6  C   LIG    1        1.579  -2.255   0.361  0.00  0.00    +0.244 C 
ATOM      7  O   LIG    1        1.744  -2.843   1.402  0.00  0.00    -0.273 OA
ATOM      8  CA  LIG    1        0.489  -2.197  -0.765  0.00  0.00    +0.191 C 
ATOM      9  CA  LIG    1        3.421  -0.588  -0.075  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   8  10
ATOM     10  N   LIG    1       -0.803  -1.582  -0.377  0.00  0.00    -0.295 N 
ATOM     11  H   LIG    1       -0.911  -1.099   0.512  0.00  0.00    +0.150 HD
ATOM     12  C   LIG    1       -1.854  -1.492  -1.263  0.00  0.00    +0.280 C 
ATOM     13  O   LIG    1       -1.796  -1.989  -2.386  0.00  0.00    -0.267 OA
BRANCH  12  14
ATOM     14  C   LIG    1       -3.001  -0.771  -0.756  0.00  0.00    +0.190 A 
ATOM     15  O   LIG    1       -2.958  -0.251   0.510  0.00  0.00    -0.444 OA
ATOM     16  C   LIG    1       -4.153   0.380   0.744  0.00  0.00    +0.212 A 
ATOM     17  C   LIG    1       -4.957   0.258  -0.376  0.00  0.00    +0.057 A 
ATOM     18  C   LIG    1       -4.219  -0.478  -1.334  0.00  0.00    +0.055 A 
BRANCH  16  19
ATOM     19  C   LIG    1       -4.350   1.016   2.026  0.00  0.00    +0.375 C 
ATOM     20  O   LIG    1       -3.538   1.051   2.944  0.00  0.00    -0.241 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -5.591   1.585   2.072  0.00  0.00    -0.462 OA
ATOM     22  C   LIG    1       -5.881   2.242   3.306  0.00  0.00    +0.280 C 
ENDBRANCH  19  21
ENDBRANCH  16  19
ENDBRANCH  12  14
ENDBRANCH   8  10
BRANCH   1  24
ATOM     23  C   LIG    1        5.547   2.098  -1.542  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1        5.036   1.169  -0.722  0.00  0.00    -0.001 C 
ENDBRANCH   1  24
BRANCH   9  25
ATOM     25  C   LIG    1        4.225  -0.947   1.121  0.00  0.00    +0.352 C 
ATOM     26  O   LIG    1        5.313  -1.494   1.121  0.00  0.00    -0.244 OA
BRANCH  25  27
ATOM     27  OXT LIG    1        3.601  -0.570   2.250  0.00  0.00    -0.476 OA
ATOM     28  HXT LIG    1        4.154  -0.935   2.970  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH   9  25
TORSDOF 7