REMARK  Name = BDB052411
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.188  -2.257  -0.791  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1        2.458  -1.812  -0.266  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1        2.742  -0.632   0.353  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        1.888   0.502   0.643  0.00  0.00    +0.097 A 
ATOM      5  C   LIG    1        2.411   1.504   1.443  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1        3.778   1.389   2.070  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1        4.774   0.494   1.285  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        1.546   2.541   1.682  0.00  0.00    +0.120 A 
ATOM      9  N   LIG    1        0.302   2.599   1.168  0.00  0.00    -0.222 NA
ATOM     10  C   LIG    1       -0.106   1.579   0.393  0.00  0.00    +0.220 A 
ATOM     11  N   LIG    1        0.662   0.517   0.105  0.00  0.00    -0.212 NA
ATOM     12  C   LIG    1        4.088  -0.679   0.667  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        4.548  -1.940   0.193  0.00  0.00    +0.151 A 
ATOM     14  N   LIG    1        3.530  -2.626  -0.365  0.00  0.00    -0.166 NA
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1        5.903  -2.510   0.245  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1        6.402  -3.220  -0.624  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1        6.614  -2.238   1.388  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1        7.450  -2.799   1.488  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        6.104  -2.024   2.232  0.00  0.00    +0.145 HD
ENDBRANCH  13  15
BRANCH  10  20
ATOM     20  N   LIG    1       -1.363   1.558  -0.204  0.00  0.00    -0.283 N 
ATOM     21  H   LIG    1       -1.450   0.674  -0.688  0.00  0.00    +0.155 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.575   2.218   0.057  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1       -3.678   2.041  -0.816  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1       -4.886   2.724  -0.567  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1       -5.008   3.591   0.515  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.922   3.795   1.354  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -2.719   3.123   1.119  0.00  0.00    +0.023 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -3.607   1.161  -2.055  0.00  0.00    +0.072 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.416  -0.322  -1.808  0.00  0.00    -0.043 A 
ATOM     30  C   LIG    1       -2.533  -1.052  -2.619  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -2.348  -2.421  -2.418  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.050  -3.078  -1.410  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.943  -2.369  -0.609  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.131  -1.000  -0.811  0.00  0.00    +0.004 A 
ENDBRANCH  28  29
ENDBRANCH  23  28
ENDBRANCH  20  22
ENDBRANCH  10  20
TORSDOF 5