REMARK  Name = BDB039263
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.035   0.726   0.798  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        5.058  -0.107   0.283  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.714   0.443   0.148  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.642  -0.577  -0.139  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        2.945  -1.945  -0.337  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        1.927  -2.876  -0.585  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.586  -2.490  -0.673  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.299  -1.131  -0.496  0.00  0.00    +0.071 A 
ATOM      9  N   LIG    1       -0.874  -0.399  -0.510  0.00  0.00    -0.309 N 
ATOM     10  C   LIG    1       -0.542   0.920  -0.284  0.00  0.00    +0.200 A 
ATOM     11  N   LIG    1        0.749   1.065  -0.108  0.00  0.00    -0.214 NA
ATOM     12  C   LIG    1        4.373  -2.416  -0.220  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.289  -0.189  -0.237  0.00  0.00    +0.096 A 
ATOM     14  C   LIG    1        5.365  -1.292  -0.508  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        5.810   1.830   1.280  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  N   LIG    1       -1.482   1.904  -0.239  0.00  0.00    -0.299 N 
ATOM     17  C   LIG    1       -1.339   2.880  -1.355  0.00  0.00    +0.123 C 
ATOM     18  C   LIG    1       -2.203   4.132  -1.105  0.00  0.00    +0.100 C 
ATOM     19  N   LIG    1       -1.839   4.894   0.107  0.00  0.00    -0.313 NA
ATOM     20  H   LIG    1       -2.695   5.230   0.545  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -1.100   4.041   1.060  0.00  0.00    +0.100 C 
ATOM     22  C   LIG    1       -1.572   2.572   1.090  0.00  0.00    +0.123 C 
ENDBRANCH  10  16
BRANCH   1  24
ATOM     23  C   LIG    1        8.315   1.016   1.244  0.00  0.00    +0.282 C 
ATOM     24  O   LIG    1        7.282   0.185   0.714  0.00  0.00    -0.454 OA
ENDBRANCH   1  24
BRANCH   9  25
ATOM     25  C   LIG    1       -2.215  -0.956  -0.699  0.00  0.00    +0.092 C 
ATOM     26  C   LIG    1       -2.855  -0.476  -2.005  0.00  0.00    +0.031 C 
BRANCH  25  27
ATOM     27  C   LIG    1       -3.112  -0.725   0.534  0.00  0.00    +0.060 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.283  -1.679   0.600  0.00  0.00    -0.045 A 
ATOM     29  C   LIG    1       -4.105  -2.986   1.075  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -5.181  -3.873   1.123  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.442  -3.463   0.696  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.630  -2.166   0.222  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.556  -1.277   0.174  0.00  0.00    +0.004 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   9  25
TORSDOF 5