REMARK  Name = BDB021929
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.158  -0.202  -0.279  0.00  0.00    -0.269 N 
ATOM      2  H   LIG    1       -3.462   0.117   0.625  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1       -1.798  -0.410  -0.368  0.00  0.00    +0.304 C 
ATOM      4  N   LIG    1       -1.149   0.249   0.663  0.00  0.00    -0.296 N 
ATOM      5  H   LIG    1       -1.595   1.108   0.949  0.00  0.00    +0.151 HD
ATOM      6  O   LIG    1       -1.204  -1.079  -1.201  0.00  0.00    -0.253 OA
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -5.521  -0.478  -0.822  0.00  0.00    -0.026 A 
ATOM      8  C   LIG    1       -4.162  -0.608  -1.188  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1       -3.848  -1.114  -2.456  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1       -4.851  -1.508  -3.345  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -6.187  -1.398  -2.982  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -6.519  -0.887  -1.729  0.00  0.00    +0.005 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -5.936  -1.009   1.605  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1       -5.977   0.056   0.519  0.00  0.00    +0.033 C 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   4  15
ATOM     15  C   LIG    1        0.309   0.219   0.766  0.00  0.00    +0.077 C 
ATOM     16  C   LIG    1        0.968   1.159  -0.242  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        2.496   1.082  -0.143  0.00  0.00    +0.086 C 
ATOM     18  N   LIG    1        2.992   0.802   1.217  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1        2.089   1.316   2.242  0.00  0.00    +0.086 C 
ATOM     20  C   LIG    1        0.751   0.570   2.195  0.00  0.00    +0.038 C 
BRANCH  18  21
ATOM     21  C   LIG    1        4.366   1.292   1.413  0.00  0.00    +0.119 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.386   0.603   0.529  0.00  0.00    -0.033 A 
ATOM     23  C   LIG    1        6.196   1.347  -0.341  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        7.144   0.709  -1.144  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.293  -0.676  -1.084  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.495  -1.425  -0.222  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.548  -0.789   0.582  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   4  15
TORSDOF 5