REMARK  Name = BDB049840
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.225  -0.724   0.441  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -3.123  -0.044   1.001  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -3.290   0.618   2.215  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -2.063   1.164   2.478  0.00  0.00    -0.334 N 
ATOM      5  H   LIG    1       -1.806   1.729   3.277  0.00  0.00    +0.168 HD
ATOM      6  C   LIG    1       -1.198   0.837   1.459  0.00  0.00    +0.195 A 
ATOM      7  C   LIG    1       -4.496   0.653   2.918  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -5.579  -0.025   2.350  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -1.821   0.105   0.550  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1       -5.450  -0.701   1.135  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        0.184   1.298   1.449  0.00  0.00    +0.282 C 
ATOM     12  N   LIG    1        1.029   0.906   0.423  0.00  0.00    -0.293 N 
ATOM     13  C   LIG    1        0.739  -0.020  -0.665  0.00  0.00    +0.127 C 
ATOM     14  C   LIG    1        2.090  -0.271  -1.361  0.00  0.00    +0.076 C 
ATOM     15  C   LIG    1        2.862   1.028  -1.062  0.00  0.00    +0.025 C 
ATOM     16  C   LIG    1        4.383   0.877  -1.158  0.00  0.00    +0.008 C 
ATOM     17  C   LIG    1        4.741  -0.347  -1.991  0.00  0.00    +0.015 C 
ATOM     18  C   LIG    1        4.122  -1.618  -1.398  0.00  0.00    +0.081 C 
ATOM     19  N   LIG    1        2.785  -1.447  -0.820  0.00  0.00    -0.311 NA
ATOM     20  H   LIG    1        2.864  -1.354   0.194  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1        2.380   1.427   0.332  0.00  0.00    +0.113 C 
ATOM     22  O   LIG    1        0.596   2.041   2.344  0.00  0.00    -0.267 OA
ENDBRANCH   6  11
BRANCH   1  26
ATOM     23  N   LIG    1       -2.932  -1.462  -1.483  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -2.121  -1.003  -1.077  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -2.839  -1.979  -2.345  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1       -4.137  -1.455  -0.844  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1       -5.105  -2.038  -1.319  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 2