REMARK  Name = BDB059744
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.363   0.307   0.127  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        4.155   0.464  -0.025  0.00  0.00    +0.248 C 
ATOM      3  C   LIG    1        3.275  -0.704  -0.180  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1        1.883  -0.709  -0.054  0.00  0.00    +0.084 A 
ATOM      5  C   LIG    1        1.143  -1.883  -0.190  0.00  0.00    +0.108 A 
ATOM      6  C   LIG    1        1.802  -3.085  -0.469  0.00  0.00    +0.140 A 
ATOM      7  N   LIG    1        3.153  -3.114  -0.593  0.00  0.00    -0.260 NA
ATOM      8  N   LIG    1       -0.194  -1.638  -0.007  0.00  0.00    -0.230 NA
ATOM      9  C   LIG    1       -0.303  -0.351   0.257  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1        0.936   0.255   0.203  0.00  0.00    -0.325 N 
ATOM     11  C   LIG    1        1.214   1.667   0.379  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1        2.347   2.161  -0.510  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1        3.841  -1.953  -0.440  0.00  0.00    +0.126 A 
ATOM     14  N   LIG    1        3.654   1.740  -0.051  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1        4.394   2.434  -0.020  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  16
ATOM     16  C   LIG    1       -1.597   0.358   0.568  0.00  0.00    +0.058 C 
ATOM     17  C   LIG    1       -2.558  -0.545   1.365  0.00  0.00    +0.026 C 
ATOM     18  C   LIG    1       -3.560  -1.239   0.447  0.00  0.00    +0.081 C 
ATOM     19  N   LIG    1       -4.399  -0.297  -0.297  0.00  0.00    -0.316 NA
ATOM     20  H   LIG    1       -5.280  -0.145   0.192  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -3.760   0.988  -0.574  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1       -2.248   0.871  -0.729  0.00  0.00    +0.026 C 
ENDBRANCH   9  16
TORSDOF 1