REMARK  Name = BDB024727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.380   1.501   0.126  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.582   0.447  -0.342  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.297  -0.643  -1.022  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.635  -1.779  -0.051  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.535  -1.105  -2.260  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.151  -1.595  -1.890  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.453  -0.666  -0.934  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.057  -0.790  -0.749  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.181  -1.651  -1.364  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.010  -1.399  -0.855  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.932  -0.367   0.060  0.00  0.00    -0.327 N 
ATOM     12  C   LIG    1        0.389   0.015   0.161  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.054   0.955   0.945  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.440   1.070   0.764  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.156   0.307  -0.174  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.606   1.439   0.198  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        5.516   3.738   0.829  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        4.696   2.643   0.419  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -2.029   0.201   0.825  0.00  0.00    +0.127 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.876   1.231   0.044  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1       -2.075   2.517  -0.248  0.00  0.00    +0.028 C 
ATOM     22  C   LIG    1       -2.862   3.544  -1.051  0.00  0.00    +0.166 C 
ATOM     23  S   LIG    1       -4.345   4.045  -0.210  0.00  0.00    -0.031 S 
ATOM     24  O   LIG    1       -3.971   4.646   1.055  0.00  0.00    -0.174 OA
ATOM     25  O   LIG    1       -5.181   4.753  -1.159  0.00  0.00    -0.174 OA
ATOM     26  C   LIG    1       -5.109   2.476   0.125  0.00  0.00    +0.166 C 
ATOM     27  C   LIG    1       -4.159   1.531   0.846  0.00  0.00    +0.028 C 
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  28
ATOM     28  C   LIG    1       -2.263  -2.134  -1.232  0.00  0.00    +0.109 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -2.819  -3.028  -0.146  0.00  0.00    -0.040 A 
ATOM     30  C   LIG    1       -4.189  -3.003   0.157  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -4.712  -3.835   1.149  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.874  -4.708   1.840  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -2.516  -4.757   1.536  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -1.992  -3.928   0.544  0.00  0.00    +0.004 A 
ENDBRANCH  28  29
ENDBRANCH  10  28
TORSDOF 5