REMARK  Name = BDB004656
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.037   0.383  -0.139  0.00  0.00    +0.134 A 
ATOM      2  C   LIG    1       -1.327   0.664   0.363  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -2.322   0.960  -0.590  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1       -3.616   1.257  -0.111  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -3.907   1.247   1.268  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -2.926   0.938   2.194  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1       -2.027   0.953  -1.909  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1       -0.776   0.652  -2.275  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1       -1.645   0.647   1.745  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        0.230   0.368  -1.455  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -4.765   1.598  -1.007  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -5.876   1.857  -0.556  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -4.558   1.619  -2.354  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -3.646   1.399  -2.745  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -5.329   1.840  -2.967  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1        1.019   0.129   0.780  0.00  0.00    -0.299 N 
ATOM     17  H   LIG    1        1.085   0.913   1.421  0.00  0.00    +0.154 HD
BRANCH  16  20
ATOM     18  C   LIG    1        3.774  -1.949  -0.679  0.00  0.00    +0.026 A 
ATOM     19  C   LIG    1        2.515  -1.365  -0.499  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1        2.291  -0.431   0.521  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        3.351  -0.145   1.397  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        4.610  -0.725   1.222  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        4.824  -1.623   0.179  0.00  0.00    +0.017 A 
BRANCH  18  25
ATOM     24  C   LIG    1        4.157  -3.678  -2.626  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1        3.983  -2.889  -1.738  0.00  0.00    -0.070 C 
ENDBRANCH  18  25
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 4