REMARK  Name = BDB050346
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.762  -2.313   0.985  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.802  -1.709   0.810  0.00  0.00    +0.245 C 
ATOM      3  C   LIG    1       -1.974  -0.318   0.330  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -3.365  -0.097   0.300  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1       -3.897   1.115  -0.104  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -3.011   2.115  -0.484  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.620   1.892  -0.454  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -4.113  -1.307   0.749  0.00  0.00    +0.140 C 
ATOM      9  C   LIG    1       -1.054   0.665  -0.045  0.00  0.00    +0.011 A 
ATOM     10  N   LIG    1       -3.055  -2.232   1.035  0.00  0.00    -0.307 N 
ATOM     11  H   LIG    1       -3.175  -3.178   1.370  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        0.418   0.527  -0.047  0.00  0.00    +0.048 A 
ATOM     13  N   LIG    1        1.099  -0.615   0.328  0.00  0.00    -0.354 N 
ATOM     14  H   LIG    1        0.657  -1.473   0.643  0.00  0.00    +0.166 HD
ATOM     15  C   LIG    1        2.461  -0.457   0.226  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1        2.685   0.835  -0.233  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        4.011   1.266  -0.429  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        5.063   0.383  -0.157  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.807  -0.908   0.303  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        3.498  -1.354   0.504  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        1.409   1.437  -0.399  0.00  0.00    +0.036 A 
ENDBRANCH   9  12
TORSDOF 1