REMARK  Name = BDB008453
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.914  -0.148  -0.368  0.00  0.00    -0.289 NA
ATOM      2  C   LIG    1       -1.367   0.889   0.527  0.00  0.00    +0.139 C 
ATOM      3  C   LIG    1        0.116   0.871   0.409  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        0.870  -0.211   0.017  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        0.240  -1.450  -0.319  0.00  0.00    +0.085 A 
ATOM      6  N   LIG    1        0.858  -2.523  -0.701  0.00  0.00    -0.174 NA
ATOM      7  N   LIG    1        2.199  -2.690  -0.885  0.00  0.00    -0.242 N 
ATOM      8  H   LIG    1        2.428  -3.628  -1.205  0.00  0.00    +0.192 HD
ATOM      9  C   LIG    1        3.345  -1.931  -0.746  0.00  0.00    +0.272 A 
ATOM     10  C   LIG    1        3.379  -0.527  -0.301  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        4.602   0.160  -0.190  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        4.648   1.494   0.224  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1        3.478   2.191   0.540  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1        2.269   1.497   0.427  0.00  0.00    +0.048 A 
ATOM     15  O   LIG    1        4.423  -2.474  -1.013  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        2.212   0.161   0.017  0.00  0.00    +0.021 A 
ATOM     17  N   LIG    1        0.970   1.910   0.657  0.00  0.00    -0.356 N 
ATOM     18  H   LIG    1        0.706   2.841   0.951  0.00  0.00    +0.166 HD
ATOM     19  C   LIG    1       -1.292  -1.485  -0.133  0.00  0.00    +0.143 C 
ENDROOT
BRANCH   1  21
ATOM     20  C   LIG    1       -4.055  -0.463   0.965  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1       -3.387  -0.227  -0.394  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1       -3.988   1.015  -1.064  0.00  0.00    +0.024 C 
ENDBRANCH   1  21
TORSDOF 1