REMARK  Name = BDB060530
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.381  -0.407   0.468  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.010   0.026  -0.057  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -1.605   1.266   0.367  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1       -2.896   1.611  -0.119  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -3.520   2.804   0.283  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -2.892   3.686   1.157  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.627   3.386   1.634  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.562   0.766  -1.013  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -2.974  -0.413  -1.452  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -0.996   2.200   1.244  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -1.714  -0.771  -0.984  0.00  0.00    +0.122 A 
BRANCH  11  12
ATOM     12  O   LIG    1       -1.155  -1.927  -1.450  0.00  0.00    -0.506 OA
ATOM     13  H   LIG    1       -1.754  -2.355  -2.082  0.00  0.00    +0.292 HD
ENDBRANCH  11  12
ENDBRANCH   1   2
BRANCH   1  17
ATOM     14  C   LIG    1        3.654   1.328  -1.798  0.00  0.00    +0.117 A 
ATOM     15  C   LIG    1        2.698   0.565  -2.455  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        1.646  -0.001  -1.732  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        1.533   0.201  -0.346  0.00  0.00    -0.034 A 
ATOM     18  C   LIG    1        2.524   0.966   0.297  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        3.579   1.532  -0.426  0.00  0.00    +0.046 A 
BRANCH  14  20
ATOM     20  O   LIG    1        4.666   1.861  -2.542  0.00  0.00    -0.507 OA
ATOM     21  H   LIG    1        5.265   2.335  -1.944  0.00  0.00    +0.292 HD
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   1  22
ATOM     22  C   LIG    1        0.549  -1.899   0.823  0.00  0.00    +0.053 A 
ATOM     23  N   LIG    1        1.643  -2.571   0.373  0.00  0.00    -0.259 NA
ATOM     24  C   LIG    1        1.786  -3.864   0.732  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1        0.898  -4.540   1.548  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -0.205  -3.848   2.029  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -0.381  -2.514   1.670  0.00  0.00    +0.024 A 
ENDBRANCH   1  22
TORSDOF 5