REMARK  Name = BDB012979
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.819  -1.467  -1.224  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.613  -0.890  -1.582  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -0.399  -1.684  -2.271  0.00  0.00    +0.135 C 
ATOM      4  C   LIG    1       -1.621  -0.774  -2.385  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1       -0.989   0.619  -2.442  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1        0.214   0.506  -1.512  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        2.058  -2.634  -1.541  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   4   8
ATOM      8  N   LIG    1       -2.581  -0.889  -1.298  0.00  0.00    -0.266 N 
ATOM      9  N   LIG    1       -3.870  -0.509  -1.540  0.00  0.00    -0.176 NA
ATOM     10  C   LIG    1       -4.451  -0.718  -0.368  0.00  0.00    +0.066 A 
ATOM     11  C   LIG    1       -5.831  -0.537   0.114  0.00  0.00    +0.058 C 
ATOM     12  C   LIG    1       -5.634  -0.677   1.663  0.00  0.00    +0.011 C 
ATOM     13  C   LIG    1       -4.269  -1.413   1.896  0.00  0.00    +0.039 C 
ATOM     14  C   LIG    1       -3.587  -1.199   0.610  0.00  0.00    -0.007 A 
ATOM     15  C   LIG    1       -2.370  -1.301   0.003  0.00  0.00    +0.112 A 
ENDBRANCH   4   8
BRANCH   1  20
ATOM     16  C   LIG    1        4.126   0.634   0.710  0.00  0.00    +0.066 A 
ATOM     17  N   LIG    1        4.915  -0.362   0.297  0.00  0.00    -0.178 NA
ATOM     18  N   LIG    1        4.090  -1.162  -0.396  0.00  0.00    -0.272 N 
ATOM     19  H   LIG    1        4.457  -2.021  -0.795  0.00  0.00    +0.189 HD
ATOM     20  C   LIG    1        2.801  -0.704  -0.495  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        2.796   0.460   0.249  0.00  0.00    +0.057 A 
BRANCH  16  23
ATOM     22  C   LIG    1        4.033   1.774   2.942  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1        4.686   1.740   1.558  0.00  0.00    +0.033 C 
ATOM     24  C   LIG    1        4.553   3.100   0.870  0.00  0.00    +0.014 C 
ENDBRANCH  16  23
ENDBRANCH   1  20
TORSDOF 3