REMARK  Name = BDB049789
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.314   0.004   0.254  0.00  0.00    -0.306 N 
ATOM      2  H   LIG    1       -1.443  -0.972   0.469  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -2.407   0.843   0.085  0.00  0.00    +0.280 C 
ATOM      4  O   LIG    1       -2.264   2.055  -0.054  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -3.704   0.179   0.097  0.00  0.00    +0.195 A 
ATOM      6  N   LIG    1       -3.949  -1.141  -0.202  0.00  0.00    -0.334 N 
ATOM      7  H   LIG    1       -3.259  -1.812  -0.501  0.00  0.00    +0.168 HD
ATOM      8  C   LIG    1       -5.295  -1.380  -0.088  0.00  0.00    +0.067 A 
ATOM      9  C   LIG    1       -5.839  -0.151   0.271  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -7.231  -0.049   0.465  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1       -8.016  -1.203   0.287  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -7.436  -2.421  -0.076  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -6.057  -2.536  -0.274  0.00  0.00    +0.028 A 
ATOM     14  N   LIG    1       -4.840   0.798   0.371  0.00  0.00    -0.223 NA
BRANCH  10  15
ATOM     15  C   LIG    1       -7.884   1.226   0.845  0.00  0.00    +0.244 C 
ATOM     16  O   LIG    1       -9.095   1.295   1.021  0.00  0.00    -0.270 OA
ATOM     17  N   LIG    1       -7.087   2.324   0.990  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1       -6.082   2.276   0.826  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -7.505   3.210   1.229  0.00  0.00    +0.145 HD
ENDBRANCH  10  15
ENDBRANCH   3   5
BRANCH   1  23
ATOM     20  N   LIG    1        2.856   0.158  -0.560  0.00  0.00    -0.302 NA
ATOM     21  C   LIG    1        1.989   1.098  -1.293  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1        0.527   0.660  -1.242  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1        0.053   0.515   0.204  0.00  0.00    +0.076 C 
ATOM     24  C   LIG    1        1.001  -0.402   0.976  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1        2.449   0.072   0.851  0.00  0.00    +0.086 C 
BRANCH  20  26
ATOM     26  C   LIG    1        4.266   0.572  -0.704  0.00  0.00    +0.084 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.255  -0.505  -0.229  0.00  0.00    +0.018 C 
BRANCH  27  29
ATOM     28  C   LIG    1        7.233   1.083   0.057  0.00  0.00    +0.007 C 
ATOM     29  C   LIG    1        6.718  -0.195  -0.607  0.00  0.00    -0.016 C 
ATOM     30  C   LIG    1        7.614  -1.375  -0.223  0.00  0.00    +0.007 C 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  20  26
ENDBRANCH   1  23
TORSDOF 6