REMARK  Name = BDB056148
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.743  -1.196   0.816  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.708  -0.506   1.460  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1       -0.556  -1.183   1.864  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -0.433  -2.557   1.674  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -1.459  -3.249   1.037  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -2.606  -2.571   0.607  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.993  -0.875  -0.259  0.00  0.00    +0.266 C 
ATOM      8  N   LIG    1       -3.872  -0.441   0.428  0.00  0.00    -0.280 N 
ATOM      9  H   LIG    1       -3.838   0.540   0.662  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -5.149  -2.017  -0.676  0.00  0.00    -0.268 OA
BRANCH   7  16
ATOM     11  C   LIG    1       -7.876   3.328  -0.334  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -7.290   1.982  -0.533  0.00  0.00    +0.061 A 
ATOM     13  N   LIG    1       -7.900   1.093  -1.319  0.00  0.00    -0.176 NA
ATOM     14  N   LIG    1       -7.115  -0.001  -1.260  0.00  0.00    -0.262 N 
ATOM     15  C   LIG    1       -7.509  -1.174  -2.009  0.00  0.00    +0.173 C 
ATOM     16  C   LIG    1       -5.995   0.158  -0.472  0.00  0.00    +0.124 A 
ATOM     17  C   LIG    1       -6.103   1.452   0.017  0.00  0.00    +0.057 A 
ENDBRANCH   7  16
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  O   LIG    1        0.423  -0.472   2.513  0.00  0.00    -0.454 OA
BRANCH  18  19
ATOM     19  C   LIG    1        1.635  -0.283   1.876  0.00  0.00    +0.145 A 
ATOM     20  C   LIG    1        1.897  -0.413   0.558  0.00  0.00    +0.139 A 
ATOM     21  N   LIG    1        3.185  -0.153   0.100  0.00  0.00    -0.301 N 
ATOM     22  C   LIG    1        4.231   0.248   0.918  0.00  0.00    +0.140 A 
ATOM     23  N   LIG    1        5.335   0.423   0.224  0.00  0.00    -0.213 NA
ATOM     24  C   LIG    1        5.020   0.137  -1.066  0.00  0.00    +0.144 A 
ATOM     25  C   LIG    1        3.951   0.400   2.304  0.00  0.00    +0.050 A 
ATOM     26  C   LIG    1        3.693  -0.222  -1.172  0.00  0.00    +0.136 A 
ATOM     27  C   LIG    1        2.709   0.150   2.763  0.00  0.00    +0.051 A 
BRANCH  24  28
ATOM     28  N   LIG    1        5.859   0.183  -2.144  0.00  0.00    -0.269 N 
ATOM     29  H   LIG    1        5.433  -0.068  -3.026  0.00  0.00    +0.156 HD
ATOM     30  C   LIG    1        7.178   0.494  -2.336  0.00  0.00    +0.221 C 
ATOM     31  O   LIG    1        7.579   0.414  -3.502  0.00  0.00    -0.275 OA
BRANCH  30  32
ATOM     32  C   LIG    1        8.183   0.915  -1.326  0.00  0.00    +0.075 C 
ATOM     33  C   LIG    1        7.924   1.822  -0.159  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1        8.297   0.378   0.071  0.00  0.00    +0.013 C 
ENDBRANCH  30  32
ENDBRANCH  24  28
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 6