REMARK  Name = BDB045561
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.445   0.226  -1.683  0.00  0.00    +0.246 C 
ATOM      2  N   LIG    1       -0.617  -0.521  -0.875  0.00  0.00    -0.311 N 
ATOM      3  H   LIG    1       -0.384  -0.159   0.045  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.676  -0.025  -2.857  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -2.852   1.367   0.098  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -2.021   1.425  -1.040  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -1.567   2.653  -1.550  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -1.909   3.842  -0.915  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.695   3.805   0.232  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -3.160   2.583   0.731  0.00  0.00    +0.024 A 
BRANCH   5  17
ATOM     11  O   LIG    1       -5.928  -2.715   1.970  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -5.152  -1.886   1.502  0.00  0.00    +0.222 C 
ATOM     13  N   LIG    1       -4.235  -1.245   2.289  0.00  0.00    -0.240 N 
ATOM     14  H   LIG    1       -4.308  -1.432   3.279  0.00  0.00    +0.159 HD
ATOM     15  C   LIG    1       -3.568  -0.089   1.963  0.00  0.00    +0.313 C 
ATOM     16  O   LIG    1       -3.134   0.622   2.865  0.00  0.00    -0.252 OA
ATOM     17  N   LIG    1       -3.443   0.157   0.596  0.00  0.00    -0.254 N 
ATOM     18  C   LIG    1       -3.865  -0.885  -0.335  0.00  0.00    +0.124 C 
ATOM     19  C   LIG    1       -5.215  -1.440   0.072  0.00  0.00    +0.115 C 
ENDBRANCH   5  17
ENDBRANCH   1   6
BRANCH   2  20
ATOM     20  C   LIG    1        0.134  -1.651  -1.393  0.00  0.00    +0.114 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.295  -1.252  -2.304  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.342  -0.523  -1.553  0.00  0.00    +0.229 A 
ATOM     23  O   LIG    1        2.256   0.835  -1.540  0.00  0.00    -0.338 OA
ATOM     24  N   LIG    1        3.314   1.292  -0.763  0.00  0.00    -0.054 NA
ATOM     25  C   LIG    1        3.950   0.169  -0.383  0.00  0.00    +0.220 A 
ATOM     26  N   LIG    1        3.355  -0.990  -0.861  0.00  0.00    -0.190 NA
BRANCH  25  27
ATOM     27  C   LIG    1        5.151   0.143   0.459  0.00  0.00    +0.111 A 
ATOM     28  N   LIG    1        5.630   1.334   0.908  0.00  0.00    -0.252 NA
ATOM     29  C   LIG    1        6.735   1.308   1.685  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        7.398   0.147   2.044  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        6.899  -1.064   1.580  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        5.761  -1.070   0.776  0.00  0.00    +0.031 A 
ENDBRANCH  25  27
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 6