REMARK  Name = BDB023657
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.765   0.849   0.510  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1        2.215  -0.379  -0.200  0.00  0.00    +0.071 C 
ATOM      3  N   LIG    1        1.643  -0.046  -1.474  0.00  0.00    -0.312 N 
ATOM      4  H   LIG    1        2.165   0.090  -2.333  0.00  0.00    +0.149 HD
ATOM      5  C   LIG    1        0.271  -0.180  -1.510  0.00  0.00    +0.221 C 
ATOM      6  O   LIG    1       -0.411  -0.065  -2.513  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -0.213  -0.459  -0.101  0.00  0.00    +0.066 C 
ATOM      8  C   LIG    1       -0.694   0.842   0.551  0.00  0.00    +0.132 C 
ATOM      9  N   LIG    1       -2.186   0.752   0.601  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1       -2.601  -0.441  -0.178  0.00  0.00    +0.117 C 
ATOM     11  C   LIG    1       -1.417  -1.386  -0.050  0.00  0.00    +0.037 C 
ATOM     12  C   LIG    1        1.055  -1.050   0.537  0.00  0.00    +0.039 C 
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -2.982   1.807   0.819  0.00  0.00    +0.169 C 
ATOM     14  N   LIG    1       -3.664   2.722   1.014  0.00  0.00    -0.174 NA
ENDBRANCH   9  13
TORSDOF 1