REMARK  Name = BDB021913
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.515  -0.689  -0.158  0.00  0.00    -0.253 N 
ATOM      2  H   LIG    1       -2.546  -0.836  -1.153  0.00  0.00    +0.158 HD
ATOM      3  C   LIG    1       -1.325  -0.400   0.458  0.00  0.00    +0.305 C 
ATOM      4  N   LIG    1       -0.261  -0.592  -0.404  0.00  0.00    -0.296 N 
ATOM      5  H   LIG    1       -0.414  -1.283  -1.124  0.00  0.00    +0.151 HD
ATOM      6  O   LIG    1       -1.181  -0.015   1.611  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.116  -0.411   0.049  0.00  0.00    +0.077 C 
ATOM      8  C   LIG    1        1.592  -1.592   0.895  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        3.023  -1.362   1.396  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1        3.847  -0.545   0.490  0.00  0.00    -0.298 NA
ATOM     11  C   LIG    1        3.468  -0.739  -0.908  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1        2.054  -0.197  -1.149  0.00  0.00    +0.038 C 
BRANCH  10  13
ATOM     13  C   LIG    1        5.278  -0.784   0.737  0.00  0.00    +0.119 C 
BRANCH  13  14
ATOM     14  C   LIG    1        6.181   0.257   0.109  0.00  0.00    -0.033 A 
ATOM     15  C   LIG    1        5.995   1.621   0.381  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        6.837   2.580  -0.183  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        7.879   2.187  -1.020  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        8.080   0.835  -1.293  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        7.237  -0.126  -0.731  0.00  0.00    +0.005 A 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  22
ATOM     20  N   LIG    1       -5.866  -0.742   0.530  0.00  0.00    -0.267 N 
ATOM     21  N   LIG    1       -4.833  -0.864  -0.328  0.00  0.00    -0.156 NA
ATOM     22  C   LIG    1       -3.754  -0.638   0.429  0.00  0.00    +0.148 A 
ATOM     23  C   LIG    1       -4.107  -0.384   1.772  0.00  0.00    +0.065 A 
ATOM     24  C   LIG    1       -5.479  -0.461   1.806  0.00  0.00    +0.110 A 
BRANCH  20  25
ATOM     25  C   LIG    1       -7.223  -0.937   0.053  0.00  0.00    +0.171 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -7.845   0.368  -0.423  0.00  0.00    +0.182 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -8.823   2.384   0.320  0.00  0.00    +0.194 C 
ATOM     28  O   LIG    1       -8.310   1.115   0.706  0.00  0.00    -0.381 OA
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  20  25
ENDBRANCH   1  22
TORSDOF 7