REMARK  Name = BDB049672
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.637   0.099   0.086  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.655  -0.643   0.712  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.896  -0.507   0.127  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -3.026   0.331  -0.420  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.429  -1.332   1.704  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.073  -1.224   0.424  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1       -5.267  -0.742  -0.133  0.00  0.00    +0.073 A 
ATOM      8  C   LIG    1       -6.434  -1.431   0.128  0.00  0.00    +0.168 A 
ATOM      9  O   LIG    1       -7.672  -1.098  -0.328  0.00  0.00    -0.453 OA
ATOM     10  C   LIG    1       -8.467  -2.151   0.257  0.00  0.00    +0.466 C 
ATOM     11  O   LIG    1       -7.696  -3.089   1.035  0.00  0.00    -0.453 OA
ATOM     12  C   LIG    1       -6.449  -2.564   0.904  0.00  0.00    +0.166 A 
ATOM     13  C   LIG    1       -5.296  -3.071   1.458  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1       -4.096  -2.392   1.210  0.00  0.00    +0.027 A 
ENDBRANCH   3   6
BRANCH   1  18
ATOM     15  N   LIG    1        3.656  -0.008   0.655  0.00  0.00    -0.300 NA
ATOM     16  C   LIG    1        2.876  -1.250   0.846  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1        1.504  -1.175   0.177  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        0.709   0.023   0.698  0.00  0.00    +0.080 C 
ATOM     19  C   LIG    1        1.538   1.302   0.555  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1        2.912   1.138   1.209  0.00  0.00    +0.086 C 
BRANCH  15  21
ATOM     21  C   LIG    1        5.025  -0.140   1.224  0.00  0.00    +0.054 C 
ATOM     22  C   LIG    1        5.801   1.191   1.280  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     23  C   LIG    1        5.909  -1.190   0.493  0.00  0.00    +0.018 C 
BRANCH  23  25
ATOM     24  C   LIG    1        5.184  -0.873  -1.961  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1        6.322  -0.887  -0.954  0.00  0.00    -0.002 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH   1  18
BRANCH   1  26
ATOM     26  C   LIG    1       -0.737   0.511  -1.321  0.00  0.00    +0.144 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -1.461   1.821  -1.554  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -1.929   2.111  -2.846  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -2.601   3.305  -3.112  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.808   4.230  -2.092  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.341   3.963  -0.808  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.668   2.769  -0.541  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 7