REMARK  Name = BDB022462
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.779   2.095  -1.018  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1       -0.370   2.105  -0.208  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -1.601   2.618  -0.664  0.00  0.00    -0.035 A 
ATOM      4  C   LIG    1       -1.664   3.132  -1.966  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.534   3.131  -2.784  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.674   2.617  -2.314  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        6.504   0.136   1.834  0.00  0.00    +0.243 C 
ATOM      8  N   LIG    1        5.690  -0.131   0.747  0.00  0.00    -0.267 N 
ATOM      9  C   LIG    1        4.480   0.535   0.458  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        3.917   0.032  -0.713  0.00  0.00    -0.024 A 
ATOM     11  C   LIG    1        2.716   0.526  -1.211  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        2.052   1.552  -0.519  0.00  0.00    -0.018 A 
ATOM     13  C   LIG    1        2.635   2.050   0.666  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        4.758  -1.048  -1.306  0.00  0.00    +0.056 C 
ATOM     15  C   LIG    1        3.848   1.547   1.158  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        5.912  -1.143  -0.302  0.00  0.00    +0.118 C 
ATOM     17  O   LIG    1        6.290   0.998   2.684  0.00  0.00    -0.270 OA
BRANCH   7  19
ATOM     18  C   LIG    1        8.607  -0.512   2.947  0.00  0.00    +0.014 C 
ATOM     19  C   LIG    1        7.733  -0.710   1.950  0.00  0.00    +0.060 C 
ENDBRANCH   7  19
ENDBRANCH   1  12
BRANCH   3  20
ATOM     20  C   LIG    1       -2.801   2.565   0.275  0.00  0.00    +0.102 C 
ATOM     21  C   LIG    1       -4.009   3.410  -0.142  0.00  0.00    +0.022 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -3.265   1.127   0.540  0.00  0.00    +0.225 C 
ATOM     23  N   LIG    1       -3.578   0.421  -0.599  0.00  0.00    -0.268 N 
ATOM     24  H   LIG    1       -3.407   0.815  -1.514  0.00  0.00    +0.156 HD
ATOM     25  O   LIG    1       -3.370   0.709   1.692  0.00  0.00    -0.275 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -4.053  -0.865  -0.641  0.00  0.00    +0.147 A 
ATOM     27  N   LIG    1       -4.280  -1.422  -1.835  0.00  0.00    -0.158 NA
ATOM     28  N   LIG    1       -4.727  -2.655  -1.539  0.00  0.00    -0.280 N 
ATOM     29  H   LIG    1       -4.966  -3.283  -2.299  0.00  0.00    +0.189 HD
ATOM     30  C   LIG    1       -4.803  -2.892  -0.202  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1       -4.365  -1.749   0.416  0.00  0.00    +0.068 A 
BRANCH  30  32
ATOM     32  C   LIG    1       -5.261  -4.199   0.477  0.00  0.00    +0.037 C 
ATOM     33  C   LIG    1       -6.392  -4.147   1.468  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1       -6.606  -4.775   0.122  0.00  0.00    +0.010 C 
ENDBRANCH  30  32
ENDBRANCH  23  26
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 6