REMARK  Name = BDB046338
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.249   1.478   2.733  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        1.430   0.640   1.849  0.00  0.00    +0.217 C 
ATOM      3  N   LIG    1        2.708   0.282   1.419  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        2.960  -0.899   0.597  0.00  0.00    +0.161 C 
ATOM      5  C   LIG    1        4.339  -0.894  -0.032  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1        4.588  -1.907  -0.932  0.00  0.00    -0.324 N 
ATOM      7  H   LIG    1        3.878  -2.604  -1.129  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1        5.762  -2.084  -1.623  0.00  0.00    +0.257 A 
ATOM      9  C   LIG    1        6.821  -1.077  -1.386  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1        6.582  -0.030  -0.479  0.00  0.00    -0.008 A 
ATOM     11  C   LIG    1        7.596   0.925  -0.304  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        8.808   0.825  -0.998  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        9.028  -0.228  -1.883  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        8.033  -1.181  -2.081  0.00  0.00    +0.014 A 
ATOM     15  O   LIG    1        5.913  -3.022  -2.397  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1        5.285   0.029   0.237  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1        5.032   1.112   1.255  0.00  0.00    +0.056 C 
ATOM     18  C   LIG    1        3.848   0.796   2.168  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   2  19
ATOM     19  C   LIG    1        0.260  -0.036   1.151  0.00  0.00    +0.111 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.080   0.402   1.751  0.00  0.00    +0.093 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.216  -0.298   1.125  0.00  0.00    -0.302 NA
ATOM     22  C   LIG    1       -3.379  -0.303   2.027  0.00  0.00    +0.086 C 
ATOM     23  C   LIG    1       -4.673  -0.619   1.281  0.00  0.00    +0.034 C 
ATOM     24  C   LIG    1       -5.025   0.506   0.280  0.00  0.00    +0.059 C 
ATOM     25  C   LIG    1       -3.729   1.167  -0.241  0.00  0.00    +0.034 C 
ATOM     26  C   LIG    1       -2.543   0.204  -0.221  0.00  0.00    +0.086 C 
BRANCH  24  27
ATOM     27  N   LIG    1       -5.903   0.002  -0.801  0.00  0.00    -0.299 NA
ATOM     28  C   LIG    1       -7.124  -0.646  -0.304  0.00  0.00    +0.085 C 
ATOM     29  C   LIG    1       -7.981  -0.764  -1.551  0.00  0.00    +0.017 C 
ATOM     30  C   LIG    1       -7.591   0.433  -2.404  0.00  0.00    +0.017 C 
ATOM     31  C   LIG    1       -6.394   1.057  -1.698  0.00  0.00    +0.085 C 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 4