REMARK  Name = BDB028224
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.114  -1.566   0.363  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -0.747  -0.587   0.882  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -2.135  -0.722   0.753  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.659  -1.838   0.107  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -4.117  -1.960  -0.047  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -4.868  -0.930   0.463  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.876  -0.996   0.364  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.390   0.169   1.107  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -4.622  -2.929  -0.605  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -1.811  -2.829  -0.401  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.102   0.282   1.264  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -0.428  -2.692  -0.268  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  21
ATOM     13  C   LIG    1        2.588   2.920  -1.821  0.00  0.00    +0.045 C 
ATOM     14  C   LIG    1        2.889   1.670  -1.056  0.00  0.00    -0.034 A 
ATOM     15  C   LIG    1        1.954   0.768  -0.698  0.00  0.00    +0.096 A 
ATOM     16  N   LIG    1        2.326  -0.375   0.017  0.00  0.00    -0.299 N 
ATOM     17  C   LIG    1        3.646  -0.647   0.371  0.00  0.00    +0.138 A 
ATOM     18  N   LIG    1        3.755  -1.794   1.005  0.00  0.00    -0.235 NA
ATOM     19  C   LIG    1        2.480  -2.286   1.076  0.00  0.00    +0.139 A 
ATOM     20  C   LIG    1        4.634   0.307  -0.000  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1        1.561  -1.430   0.494  0.00  0.00    +0.073 A 
ATOM     22  C   LIG    1        4.277   1.414  -0.679  0.00  0.00    +0.008 A 
ENDBRANCH   1  21
BRANCH  11  23
ATOM     23  C   LIG    1       -2.596   1.520   1.998  0.00  0.00    +0.136 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -2.064   2.474   1.020  0.00  0.00    -0.325 NA
ATOM     25  H   LIG    1       -2.824   2.728   0.383  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1       -1.825   3.339   1.507  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH  11  23
TORSDOF 3