REMARK  Name = BDB046278
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.741  -1.452  -0.550  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -1.499  -0.352  -0.347  0.00  0.00    -0.230 NA
ATOM      3  C   LIG    1       -2.813  -0.531  -0.055  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1       -3.396  -1.794   0.038  0.00  0.00    +0.068 A 
ATOM      5  N   LIG    1       -4.755  -1.928   0.342  0.00  0.00    -0.320 N 
ATOM      6  H   LIG    1       -5.180  -2.844   0.411  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -5.593  -0.859   0.565  0.00  0.00    +0.257 A 
ATOM      8  C   LIG    1       -5.005   0.507   0.473  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -5.827   1.621   0.693  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -5.294   2.906   0.612  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.945   3.079   0.311  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.125   1.968   0.091  0.00  0.00    +0.011 A 
ATOM     13  O   LIG    1       -6.779  -1.030   0.829  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -2.607  -2.915  -0.174  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -3.639   0.661   0.168  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1       -1.256  -2.741  -0.474  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  19
ATOM     17  O   LIG    1        1.596  -3.255  -0.995  0.00  0.00    -0.274 OA
ATOM     18  C   LIG    1        1.643  -2.029  -1.029  0.00  0.00    +0.232 C 
ATOM     19  N   LIG    1        0.587  -1.167  -0.843  0.00  0.00    -0.269 N 
ATOM     20  H   LIG    1        0.818  -0.178  -0.835  0.00  0.00    +0.156 HD
BRANCH  18  21
ATOM     21  C   LIG    1        2.946  -1.292  -1.373  0.00  0.00    +0.180 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.037   0.019  -0.679  0.00  0.00    -0.294 NA
ATOM     23  C   LIG    1        3.237  -0.174   0.775  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1        3.825   1.065   1.447  0.00  0.00    +0.015 C 
ATOM     25  C   LIG    1        5.213   1.387   0.895  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1        5.396   0.888  -0.537  0.00  0.00    +0.015 C 
ATOM     27  C   LIG    1        4.069   0.874  -1.292  0.00  0.00    +0.085 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   1  19
TORSDOF 3