REMARK  Name = BDB002183
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.606   0.803  -0.796  0.00  0.00    +0.177 A 
ATOM      2  N   LIG    1       -2.101   0.204  -1.945  0.00  0.00    -0.254 N 
ATOM      3  C   LIG    1       -0.820   0.281  -2.515  0.00  0.00    +0.258 C 
ATOM      4  O   LIG    1       -0.674   0.154  -3.725  0.00  0.00    -0.267 OA
ATOM      5  C   LIG    1       -3.169  -0.521  -2.480  0.00  0.00    +0.077 A 
ATOM      6  C   LIG    1       -4.189  -0.408  -1.541  0.00  0.00    +0.091 A 
ATOM      7  C   LIG    1       -5.407  -1.073  -1.752  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -5.570  -1.837  -2.912  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -4.538  -1.941  -3.844  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -3.315  -1.290  -3.646  0.00  0.00    +0.028 A 
ATOM     11  N   LIG    1       -3.818   0.394  -0.502  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1        0.349   0.440  -1.622  0.00  0.00    +0.071 C 
ATOM     13  C   LIG    1        0.534  -0.336  -0.542  0.00  0.00    +0.013 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.709  -0.226   0.332  0.00  0.00    -0.021 A 
ATOM     15  C   LIG    1        3.009  -0.105  -0.178  0.00  0.00    +0.057 A 
ATOM     16  C   LIG    1        4.112  -0.024   0.683  0.00  0.00    +0.162 A 
ATOM     17  C   LIG    1        3.913  -0.075   2.078  0.00  0.00    +0.162 A 
ATOM     18  C   LIG    1        2.618  -0.212   2.583  0.00  0.00    +0.050 A 
ATOM     19  C   LIG    1        1.525  -0.293   1.715  0.00  0.00    +0.012 A 
BRANCH  16  20
ATOM     20  O   LIG    1        5.415   0.101   0.266  0.00  0.00    -0.491 OA
ATOM     21  C   LIG    1        5.660   0.158  -1.132  0.00  0.00    +0.277 C 
ENDBRANCH  16  20
BRANCH  17  22
ATOM     22  O   LIG    1        5.043   0.013   2.852  0.00  0.00    -0.491 OA
ATOM     23  C   LIG    1        4.881  -0.022   4.262  0.00  0.00    +0.277 C 
ENDBRANCH  17  22
ENDBRANCH  13  14
ENDBRANCH   3  12
BRANCH   1  24
ATOM     24  S   LIG    1       -1.812   2.092   0.066  0.00  0.00    -0.088 S 
BRANCH  24  26
ATOM     25  C   LIG    1       -2.610   1.166   2.545  0.00  0.00    +0.016 C 
ATOM     26  C   LIG    1       -2.869   2.270   1.534  0.00  0.00    +0.074 C 
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 6