REMARK  Name = BDB041049
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.423  -0.581  -0.218  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1       -0.773  -1.499  -0.455  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.447   0.364  -0.054  0.00  0.00    +0.135 A 
ATOM      4  C   LIG    1       -2.802  -0.007  -0.187  0.00  0.00    +0.059 A 
ATOM      5  C   LIG    1       -3.750   0.991  -0.023  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -4.991   0.440  -0.186  0.00  0.00    -0.346 N 
ATOM      7  H   LIG    1       -5.851   0.964  -0.114  0.00  0.00    +0.167 HD
ATOM      8  C   LIG    1       -4.870  -0.900  -0.454  0.00  0.00    +0.085 A 
ATOM      9  N   LIG    1       -3.525   2.283   0.249  0.00  0.00    -0.218 NA
ATOM     10  C   LIG    1       -2.212   2.534   0.352  0.00  0.00    +0.225 A 
ATOM     11  C   LIG    1       -3.525  -1.206  -0.461  0.00  0.00    +0.032 A 
ATOM     12  N   LIG    1       -1.186   1.670   0.217  0.00  0.00    -0.220 NA
ENDBRANCH   1   3
BRANCH   1  16
ATOM     13  C   LIG    1        3.791  -0.471   0.106  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1        3.138  -1.606  -0.374  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        1.742  -1.618  -0.467  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        0.972  -0.511  -0.070  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        1.649   0.611   0.422  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.046   0.634   0.521  0.00  0.00    +0.017 A 
BRANCH  13  20
ATOM     19  O   LIG    1        5.909  -1.464   0.526  0.00  0.00    -0.245 OA
ATOM     20  C   LIG    1        5.269  -0.485   0.188  0.00  0.00    +0.337 C 
BRANCH  20  21
ATOM     21  O   LIG    1        5.829   0.681  -0.199  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1        5.206   1.314  -0.603  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  13  20
ENDBRANCH   1  16
TORSDOF 4