REMARK  Name = BDB026463
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.709  -1.217  -0.995  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.836  -0.588  -0.111  0.00  0.00    +0.305 C 
ATOM      3  O   LIG    1        1.554  -0.961   1.016  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1        1.353   0.558  -0.748  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1        1.760   0.566  -2.139  0.00  0.00    +0.128 C 
ATOM      6  C   LIG    1        2.954  -0.380  -2.150  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        3.610  -2.280  -0.598  0.00  0.00    +0.164 C 
BRANCH   7  11
ATOM      8  C   LIG    1        7.307  -0.769   0.923  0.00  0.00    +0.055 A 
ATOM      9  C   LIG    1        7.143  -1.207  -0.385  0.00  0.00    +0.124 A 
ATOM     10  N   LIG    1        5.980  -1.703  -0.881  0.00  0.00    -0.258 NA
ATOM     11  C   LIG    1        4.918  -1.763  -0.037  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        4.992  -1.322   1.284  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        6.200  -0.820   1.769  0.00  0.00    +0.016 A 
BRANCH   8  17
ATOM     14  N   LIG    1        8.895  -0.162   2.673  0.00  0.00    -0.325 N 
ATOM     15  H   LIG    1        8.345  -0.636   3.374  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1        9.845   0.087   2.922  0.00  0.00    +0.145 HD
ATOM     17  C   LIG    1        8.631  -0.251   1.334  0.00  0.00    +0.243 C 
ATOM     18  O   LIG    1        9.479   0.064   0.509  0.00  0.00    -0.270 OA
ENDBRANCH   8  17
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  C   LIG    1        0.221   1.320  -0.244  0.00  0.00    +0.142 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.144   0.764  -0.705  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.333   1.122  -2.088  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -1.490   2.080  -2.129  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -2.287   1.351   0.168  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.571   0.619   0.127  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -4.517   1.235   1.083  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -5.917   0.664   1.037  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -6.370  -0.048  -0.085  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -7.682  -0.538  -0.118  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -8.550  -0.299   0.947  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -8.112   0.424   2.053  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.421  -0.344  -1.215  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -6.803   0.906   2.098  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -4.179   0.561  -1.209  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 8