REMARK  Name = BDB028320
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.123  -0.687   0.084  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -2.007   0.409   0.117  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -2.926   0.631  -0.919  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.974  -0.252  -1.992  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -3.958  -0.029  -3.064  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -4.784   1.057  -2.910  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.472   1.224  -3.638  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.755   1.948  -1.882  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -4.028  -0.777  -4.033  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -2.106  -1.345  -2.049  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.879   1.771  -0.936  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -1.187  -1.557  -1.018  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        2.086  -1.344   1.980  0.00  0.00    +0.147 A 
ATOM     14  C   LIG    1        1.200  -1.138   0.921  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1       -0.162  -0.917   1.173  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -0.556  -0.933   2.515  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1        0.275  -1.145   3.565  0.00  0.00    -0.259 NA
ATOM     18  C   LIG    1        1.576  -1.360   3.269  0.00  0.00    +0.157 A 
BRANCH  13  19
ATOM     19  O   LIG    1        3.425  -1.597   1.818  0.00  0.00    -0.453 OA
BRANCH  19  21
ATOM     20  C   LIG    1        4.845  -1.473  -0.106  0.00  0.00    +0.094 A 
ATOM     21  C   LIG    1        4.102  -0.832   0.893  0.00  0.00    +0.146 A 
ATOM     22  C   LIG    1        4.114   0.565   0.994  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        4.837   1.323   0.072  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        5.560   0.691  -0.939  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.567  -0.703  -1.027  0.00  0.00    +0.022 A 
BRANCH  20  27
ATOM     26  N   LIG    1        4.887  -4.057  -0.323  0.00  0.00    -0.191 NA
ATOM     27  C   LIG    1        4.865  -2.902  -0.212  0.00  0.00    +0.103 C 
ENDBRANCH  20  27
ENDBRANCH  19  21
ENDBRANCH  13  19
ENDBRANCH   1  15
BRANCH  11  28
ATOM     28  C   LIG    1       -3.861   2.795   0.196  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -4.497   2.215   1.381  0.00  0.00    -0.325 NA
ATOM     30  H   LIG    1       -4.582   2.938   2.095  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1       -5.459   1.967   1.137  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH  11  28
TORSDOF 6