REMARK  Name = BDB061381
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.542  -5.110  -0.530  0.00  0.00    +0.088 C 
ATOM      2  C   LIG    1        0.673  -3.892  -0.621  0.00  0.00    +0.129 A 
ATOM      3  N   LIG    1       -0.613  -4.087  -0.962  0.00  0.00    -0.215 NA
ATOM      4  C   LIG    1       -1.317  -2.947  -0.976  0.00  0.00    +0.143 A 
ATOM      5  C   LIG    1       -0.861  -1.667  -0.690  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1       -1.997  -0.799  -0.811  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -3.076  -1.579  -1.189  0.00  0.00    +0.093 A 
ATOM      8  C   LIG    1        0.502  -1.577  -0.369  0.00  0.00    +0.084 A 
ATOM      9  N   LIG    1       -2.646  -2.877  -1.284  0.00  0.00    -0.345 N 
ATOM     10  H   LIG    1       -3.209  -3.680  -1.524  0.00  0.00    +0.167 HD
ATOM     11  N   LIG    1        1.250  -2.712  -0.316  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        1.186  -0.322  -0.066  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        1.814  -0.145   1.181  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1        2.434   1.059   1.442  0.00  0.00    +0.167 A 
ATOM     15  O   LIG    1        3.066   1.393   2.599  0.00  0.00    -0.453 OA
ATOM     16  C   LIG    1        3.527   2.723   2.284  0.00  0.00    +0.466 C 
ATOM     17  O   LIG    1        3.117   3.176   0.977  0.00  0.00    -0.453 OA
ATOM     18  C   LIG    1        2.463   2.076   0.518  0.00  0.00    +0.166 A 
ATOM     19  C   LIG    1        1.879   1.943  -0.721  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1        1.244   0.731  -1.013  0.00  0.00    +0.014 A 
ENDBRANCH   8  12
BRANCH   6  21
ATOM     21  C   LIG    1       -2.129   0.627  -0.573  0.00  0.00    -0.011 A 
ATOM     22  C   LIG    1       -1.772   1.172   0.660  0.00  0.00    +0.051 A 
ATOM     23  C   LIG    1       -1.867   2.543   0.837  0.00  0.00    +0.117 A 
ATOM     24  N   LIG    1       -2.327   3.373  -0.114  0.00  0.00    -0.241 NA
ATOM     25  C   LIG    1       -2.688   2.823  -1.293  0.00  0.00    +0.113 A 
ATOM     26  C   LIG    1       -2.605   1.471  -1.573  0.00  0.00    +0.028 A 
BRANCH  23  27
ATOM     27  N   LIG    1       -1.499   3.126   2.048  0.00  0.00    -0.343 N 
ATOM     28  H   LIG    1       -0.549   2.873   2.297  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1       -1.602   4.131   1.929  0.00  0.00    +0.144 HD
ENDBRANCH  23  27
ENDBRANCH   6  21
TORSDOF 3