REMARK  Name = BDB060023
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.311   0.236   0.003  0.00  0.00    +0.074 C 
ATOM      2  N   LIG    1        3.081  -0.070  -0.707  0.00  0.00    -0.314 N 
ATOM      3  H   LIG    1        3.128  -0.161  -1.716  0.00  0.00    +0.149 HD
ATOM      4  C   LIG    1        1.870   0.330  -0.241  0.00  0.00    +0.186 C 
ATOM      5  N   LIG    1        1.760   0.749   1.031  0.00  0.00    -0.242 N 
ATOM      6  C   LIG    1        0.478   1.128   1.270  0.00  0.00    +0.255 C 
ATOM      7  C   LIG    1       -0.304   0.870  -0.046  0.00  0.00    +0.171 C 
ATOM      8  O   LIG    1        0.056   1.581   2.326  0.00  0.00    -0.272 OA
ATOM      9  C   LIG    1        2.880   0.937   1.924  0.00  0.00    +0.118 C 
ATOM     10  N   LIG    1        0.789   0.322  -0.945  0.00  0.00    -0.234 NA
ATOM     11  C   LIG    1        4.065   0.070   1.509  0.00  0.00    +0.042 C 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -1.399  -0.267   0.128  0.00  0.00    +0.009 C 
ATOM     13  C   LIG    1       -2.578   0.173   1.050  0.00  0.00    +0.013 C 
ATOM     14  C   LIG    1       -3.622  -0.947   1.208  0.00  0.00    -0.010 C 
ATOM     15  C   LIG    1       -2.956  -2.184   1.824  0.00  0.00    +0.007 C 
ATOM     16  C   LIG    1       -1.825  -2.675   0.911  0.00  0.00    -0.010 C 
ATOM     17  C   LIG    1       -2.396  -3.029  -0.469  0.00  0.00    +0.007 C 
ATOM     18  C   LIG    1       -3.061  -1.794  -1.091  0.00  0.00    -0.010 C 
ATOM     19  C   LIG    1       -4.191  -1.308  -0.171  0.00  0.00    +0.007 C 
ATOM     20  C   LIG    1       -0.779  -1.559   0.755  0.00  0.00    +0.013 C 
ATOM     21  C   LIG    1       -2.017  -0.674  -1.247  0.00  0.00    +0.013 C 
ENDBRANCH   7  12
BRANCH   7  22
ATOM     22  C   LIG    1       -0.843   2.186  -0.646  0.00  0.00    -0.011 A 
ATOM     23  C   LIG    1       -1.434   3.184   0.148  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -1.920   4.367  -0.416  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -1.829   4.577  -1.788  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -1.254   3.604  -2.598  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -0.767   2.422  -2.033  0.00  0.00    +0.006 A 
ENDBRANCH   7  22
BRANCH   1  29
ATOM     28  C   LIG    1        5.296  -2.128  -0.328  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1        5.465  -0.627  -0.526  0.00  0.00    +0.019 C 
ENDBRANCH   1  29
TORSDOF 3