REMARK  Name = BDB046619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.054   0.423  -0.261  0.00  0.00    +0.131 C 
ATOM      2  C   LIG    1       -0.258  -0.892   0.522  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        0.597  -1.980   0.009  0.00  0.00    -0.335 N 
ATOM      4  H   LIG    1        0.427  -2.847   0.518  0.00  0.00    +0.147 HD
ATOM      5  C   LIG    1        1.960  -1.654  -0.041  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        2.397  -0.352  -0.300  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        3.747  -0.067  -0.466  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        4.699  -1.083  -0.367  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        4.280  -2.392  -0.133  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        4.142   1.310  -0.795  0.00  0.00    +0.273 A 
ATOM     11  O   LIG    1        5.320   1.623  -0.919  0.00  0.00    -0.266 OA
ATOM     12  N   LIG    1        3.114   2.204  -0.976  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        3.365   3.162  -1.199  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        1.786   1.946  -0.816  0.00  0.00    -0.174 NA
ATOM     15  C   LIG    1        2.918  -2.675   0.007  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        1.427   0.745  -0.455  0.00  0.00    +0.083 A 
ENDROOT
BRANCH   1  19
ATOM     17  C   LIG    1       -1.631   2.752  -1.548  0.00  0.00    +0.150 C 
ATOM     18  N   LIG    1       -1.402   2.587  -0.134  0.00  0.00    -0.337 N 
ATOM     19  C   LIG    1       -0.701   1.571   0.476  0.00  0.00    +0.121 A 
ATOM     20  N   LIG    1       -0.692   1.745   1.788  0.00  0.00    -0.240 NA
ATOM     21  C   LIG    1       -1.393   2.897   2.021  0.00  0.00    +0.130 A 
ATOM     22  C   LIG    1       -1.849   3.434   0.843  0.00  0.00    +0.106 A 
ENDBRANCH   1  19
BRANCH   2  23
ATOM     23  C   LIG    1       -1.709  -1.367   0.446  0.00  0.00    -0.026 A 
ATOM     24  C   LIG    1       -2.220  -1.989  -0.706  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -3.553  -2.398  -0.763  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.396  -2.184   0.325  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.906  -1.561   1.472  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.573  -1.154   1.532  0.00  0.00    +0.005 A 
ENDBRANCH   2  23
TORSDOF 2