REMARK  Name = BDB026414
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.104  -1.870   0.819  0.00  0.00    -0.279 N 
ATOM      2  C   LIG    1        1.908  -1.933   1.535  0.00  0.00    +0.306 C 
ATOM      3  O   LIG    1        1.633  -1.298   2.540  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1        1.066  -2.816   0.858  0.00  0.00    -0.276 N 
ATOM      5  C   LIG    1        1.743  -3.393  -0.275  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1        1.756  -4.889  -0.494  0.00  0.00    +0.030 C 
ATOM      7  C   LIG    1        1.078  -3.991  -1.486  0.00  0.00    +0.030 C 
ATOM      8  C   LIG    1        3.053  -2.635  -0.414  0.00  0.00    +0.135 C 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1        4.122  -0.873   1.074  0.00  0.00    +0.146 C 
BRANCH   9  14
ATOM     10  C   LIG    1        3.399   3.799  -2.215  0.00  0.00    +0.065 C 
ATOM     11  C   LIG    1        3.567   2.598  -1.334  0.00  0.00    +0.038 A 
ATOM     12  N   LIG    1        4.560   1.731  -1.645  0.00  0.00    -0.260 NA
ATOM     13  C   LIG    1        4.712   0.648  -0.848  0.00  0.00    +0.116 A 
ATOM     14  C   LIG    1        3.917   0.372   0.257  0.00  0.00    -0.012 A 
ATOM     15  C   LIG    1        2.901   1.283   0.555  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        2.722   2.408  -0.246  0.00  0.00    +0.023 A 
ENDBRANCH   9  14
ENDBRANCH   1   9
BRANCH   4  17
ATOM     17  C   LIG    1       -0.335  -3.000   1.192  0.00  0.00    +0.142 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.283  -1.909   0.635  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -1.134  -1.831  -0.789  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -0.215  -1.550  -0.949  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -1.069  -0.517   1.283  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -2.107   0.514   1.092  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -2.352   0.852  -0.318  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -3.385   1.950  -0.483  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -4.335   2.199   0.524  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -5.306   3.191   0.336  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -5.351   3.914  -0.856  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.425   3.656  -1.865  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.263   1.446   1.830  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -3.448   2.676  -1.682  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -3.376   0.194   1.754  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 7