REMARK  Name = BDB057893
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.696  -0.075   0.379  0.00  0.00    +0.131 A 
ATOM      2  N   LIG    1       -2.151  -0.461   1.580  0.00  0.00    -0.128 NA
ATOM      3  N   LIG    1       -0.836  -0.295   1.517  0.00  0.00    -0.065 NA
ATOM      4  N   LIG    1       -0.546   0.137   0.281  0.00  0.00    -0.245 N 
ATOM      5  C   LIG    1       -1.678   0.330  -0.460  0.00  0.00    +0.140 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -6.042   0.453  -1.216  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -4.662   0.527  -1.021  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -4.121  -0.105   0.088  0.00  0.00    +0.093 A 
ATOM      9  N   LIG    1       -4.892  -0.788   0.970  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1       -6.219  -0.869   0.739  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1       -6.843  -0.271  -0.336  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1       -6.038   1.150  -3.478  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -6.611   1.123  -2.404  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -7.788   1.733  -2.163  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -8.046   1.795  -1.224  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1        0.805   0.492  -0.159  0.00  0.00    +0.143 C 
ATOM     17  C   LIG    1        1.923  -0.256   0.585  0.00  0.00    +0.136 C 
ATOM     18  N   LIG    1        2.512  -0.503  -0.736  0.00  0.00    -0.293 N 
ATOM     19  C   LIG    1        3.755  -0.119  -1.198  0.00  0.00    +0.247 C 
ATOM     20  O   LIG    1        3.938   0.311  -2.333  0.00  0.00    -0.270 OA
ATOM     21  C   LIG    1        1.243  -0.256  -1.424  0.00  0.00    +0.136 C 
BRANCH  19  22
ATOM     22  C   LIG    1        4.906  -0.241  -0.263  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        4.975  -1.264   0.691  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        6.077  -1.349   1.545  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        7.115  -0.423   1.440  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        7.060   0.585   0.477  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        5.960   0.674  -0.377  0.00  0.00    +0.013 A 
ENDBRANCH  19  22
ENDBRANCH   4  16
TORSDOF 5