REMARK  Name = BDB049929
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.343  -0.308   0.699  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1        0.713   0.268   0.031  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        0.663   1.153  -0.457  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        1.798  -0.561   0.126  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.350  -1.611   0.920  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        2.238  -2.639   1.271  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        3.564  -2.573   0.823  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        3.993  -1.511   0.023  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.109  -0.490  -0.360  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.026  -1.450   1.248  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        3.586   0.607  -1.227  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        4.747   0.989  -1.207  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        2.676   1.142  -2.100  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        3.084   1.759  -2.793  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        1.906   0.568  -2.419  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
BRANCH   1  16
ATOM     16  C   LIG    1       -1.706   0.376   0.767  0.00  0.00    +0.074 C 
ATOM     17  C   LIG    1       -2.781  -0.659   1.174  0.00  0.00    +0.036 C 
ATOM     18  C   LIG    1       -1.605   1.419   1.911  0.00  0.00    +0.036 C 
BRANCH  16  20
ATOM     19  C   LIG    1       -2.268   0.070  -1.628  0.00  0.00    +0.105 C 
ATOM     20  N   LIG    1       -1.982   1.033  -0.554  0.00  0.00    -0.297 NA
ATOM     21  C   LIG    1       -3.052   2.034  -0.520  0.00  0.00    +0.105 C 
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 3