REMARK  Name = BDB028586
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.127   2.274  -0.097  0.00  0.00    +0.266 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        1.131   1.393   0.432  0.00  0.00    -0.447 OA
BRANCH   2   4
ATOM      3  O   LIG    1        2.674   2.847  -0.341  0.00  0.00    -0.226 OA
ATOM      4  C   LIG    1        2.422   1.817   0.273  0.00  0.00    +0.407 C 
ATOM      5  N   LIG    1        3.338   0.932   0.863  0.00  0.00    -0.237 N 
ATOM      6  C   LIG    1        4.767   1.012   0.675  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1        5.607  -0.002   1.193  0.00  0.00    -0.026 A 
ATOM      8  C   LIG    1        6.998   0.039   0.980  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1        7.580   1.091   0.284  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        6.774   2.106  -0.210  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        5.052  -1.179   1.947  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1        3.756  -0.797   2.626  0.00  0.00    +0.024 C 
ATOM     13  C   LIG    1        5.387   2.064  -0.017  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        2.805  -0.225   1.592  0.00  0.00    +0.117 C 
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -1.263   1.643   0.053  0.00  0.00    +0.166 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -1.603   1.531   1.443  0.00  0.00    -0.387 OA
ATOM     17  H   LIG    1       -2.280   0.824   1.479  0.00  0.00    +0.210 HD
ENDBRANCH  15  16
BRANCH  15  18
ATOM     18  C   LIG    1       -1.349   0.244  -0.596  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.650  -0.416  -0.323  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -3.755   0.239  -1.057  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -5.070  -0.510  -0.984  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -5.111  -1.873  -0.645  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -6.338  -2.547  -0.611  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -7.518  -1.880  -0.938  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -7.481  -0.534  -1.294  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.843  -2.587  -0.257  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1       -6.263   0.148  -1.320  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -2.585  -1.837  -0.715  0.00  0.00    +0.089 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 6