REMARK  Name = BDB028550
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.287   2.494   1.025  0.00  0.00    +0.266 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        1.237   1.443   0.805  0.00  0.00    -0.448 OA
BRANCH   2   4
ATOM      3  O   LIG    1        2.795   3.050   0.375  0.00  0.00    -0.226 OA
ATOM      4  C   LIG    1        2.487   1.868   0.479  0.00  0.00    +0.403 C 
ATOM      5  N   LIG    1        3.368   0.822   0.272  0.00  0.00    -0.263 N 
ATOM      6  C   LIG    1        4.771   1.167   0.094  0.00  0.00    +0.146 C 
ATOM      7  C   LIG    1        5.644   0.031  -0.389  0.00  0.00    -0.027 A 
ATOM      8  C   LIG    1        5.139  -1.270  -0.563  0.00  0.00    -0.041 A 
ATOM      9  C   LIG    1        5.983  -2.290  -1.022  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        7.327  -2.029  -1.282  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        7.837  -0.747  -1.096  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        3.680  -1.550  -0.316  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        7.001   0.278  -0.653  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        3.072  -0.551   0.665  0.00  0.00    +0.116 C 
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -1.087   1.884   1.304  0.00  0.00    +0.166 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -2.026   2.925   1.599  0.00  0.00    -0.387 OA
ATOM     17  H   LIG    1       -2.901   2.532   1.396  0.00  0.00    +0.210 HD
ENDBRANCH  15  16
BRANCH  15  18
ATOM     18  C   LIG    1       -1.605   1.065   0.100  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.019   0.659   0.289  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -3.591   0.248  -1.013  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -4.984  -0.335  -0.911  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -5.463  -0.854   0.304  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -6.745  -1.416   0.365  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -7.538  -1.488  -0.780  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -7.060  -0.993  -1.990  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.623  -0.744   1.549  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1       -5.788  -0.422  -2.058  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -3.146  -0.459   1.242  0.00  0.00    +0.089 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 6