REMARK  Name = BDB052413
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.187  -0.360  -1.272  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1       -3.324  -0.146  -0.210  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -3.505  -0.059   1.268  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -2.349   0.718   1.940  0.00  0.00    +0.043 C 
ATOM      5  C   LIG    1       -0.992   0.435   1.355  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -0.814   0.088   0.026  0.00  0.00    +0.099 A 
ATOM      7  N   LIG    1        0.390  -0.107  -0.547  0.00  0.00    -0.212 NA
ATOM      8  C   LIG    1        1.468   0.057   0.229  0.00  0.00    +0.220 A 
ATOM      9  N   LIG    1        1.395   0.404   1.525  0.00  0.00    -0.222 NA
ATOM     10  C   LIG    1        0.175   0.593   2.059  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1       -2.017  -0.100  -0.787  0.00  0.00    +0.115 A 
ATOM     12  N   LIG    1       -2.062  -0.258  -2.113  0.00  0.00    -0.171 NA
ATOM     13  N   LIG    1       -3.365  -0.436  -2.371  0.00  0.00    -0.272 N 
ATOM     14  H   LIG    1       -3.655  -0.612  -3.329  0.00  0.00    +0.189 HD
ENDROOT
BRANCH   1  18
ATOM     15  N   LIG    1       -6.393  -0.234  -0.364  0.00  0.00    -0.324 N 
ATOM     16  H   LIG    1       -7.387  -0.241  -0.553  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1       -6.070   0.387   0.358  0.00  0.00    +0.145 HD
ATOM     18  C   LIG    1       -5.602  -0.546  -1.427  0.00  0.00    +0.260 C 
ATOM     19  O   LIG    1       -6.116  -0.933  -2.472  0.00  0.00    -0.269 OA
ENDBRANCH   1  18
BRANCH   8  20
ATOM     20  N   LIG    1        2.682  -0.159  -0.415  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1        2.493  -0.398  -1.378  0.00  0.00    +0.155 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.022  -0.101  -0.022  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        5.013  -0.387  -0.976  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        6.372  -0.349  -0.652  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        6.768  -0.023   0.641  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.804   0.263   1.602  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.445   0.224   1.271  0.00  0.00    +0.023 A 
ENDBRANCH  20  22
ENDBRANCH   8  20
TORSDOF 3