REMARK  Name = BDB002491
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.410   0.096  -1.867  0.00  0.00    -0.264 N 
ATOM      2  H   LIG    1        0.057   0.261  -0.930  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1       -0.059   0.928  -2.856  0.00  0.00    +0.229 C 
ATOM      4  O   LIG    1        0.256   0.894  -4.041  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1        1.639  -1.884  -1.008  0.00  0.00    +0.211 A 
ATOM      6  C   LIG    1        1.290  -0.954  -2.033  0.00  0.00    +0.211 A 
ATOM      7  N   LIG    1        1.951  -1.263  -3.146  0.00  0.00    -0.032 NA
ATOM      8  O   LIG    1        2.733  -2.360  -2.813  0.00  0.00    -0.239 OA
ATOM      9  N   LIG    1        2.542  -2.736  -1.491  0.00  0.00    -0.032 NA
BRANCH   5  12
ATOM     10  C   LIG    1        0.641  -2.610   2.515  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1        1.456  -2.789   1.258  0.00  0.00    +0.215 C 
ATOM     12  N   LIG    1        1.095  -1.899   0.270  0.00  0.00    -0.265 N 
ATOM     13  H   LIG    1        0.364  -1.227   0.458  0.00  0.00    +0.156 HD
ATOM     14  O   LIG    1        2.347  -3.628   1.208  0.00  0.00    -0.276 OA
ENDBRANCH   5  12
ENDBRANCH   1   6
BRANCH   3  15
ATOM     15  C   LIG    1       -1.012   1.996  -2.333  0.00  0.00    +0.172 C 
BRANCH  15  16
ATOM     16  S   LIG    1       -2.377   1.278  -1.346  0.00  0.00    -0.097 S 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.734   1.508   0.299  0.00  0.00    +0.097 A 
ATOM     18  N   LIG    1       -0.487   1.023   0.551  0.00  0.00    -0.249 NA
ATOM     19  C   LIG    1        0.005   1.250   1.795  0.00  0.00    +0.112 A 
ATOM     20  C   LIG    1       -0.699   1.882   2.806  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -1.987   2.325   2.531  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -2.516   2.138   1.257  0.00  0.00    +0.035 A 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 5