REMARK  Name = BDB050431
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.654   0.934   2.424  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -1.389   0.426   1.213  0.00  0.00    -0.038 A 
ATOM      3  C   LIG    1       -0.733  -0.293   0.194  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1       -1.514  -0.725  -0.892  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -0.919  -1.506  -2.031  0.00  0.00    +0.066 C 
ATOM      6  N   LIG    1       -2.845  -0.470  -1.000  0.00  0.00    -0.237 NA
ATOM      7  C   LIG    1       -3.450   0.214  -0.022  0.00  0.00    +0.117 A 
ATOM      8  C   LIG    1       -2.763   0.672   1.093  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1        0.706  -0.566   0.259  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        1.639   0.317  -0.319  0.00  0.00    +0.054 A 
ATOM     11  C   LIG    1        3.017   0.098  -0.276  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        3.638   1.183  -0.953  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        2.646   2.029  -1.390  0.00  0.00    +0.083 A 
ATOM     14  C   LIG    1        3.502  -1.055   0.371  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        2.597  -1.949   0.952  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1        1.444   1.499  -1.005  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1        0.536   1.903  -1.193  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1        1.226  -1.707   0.896  0.00  0.00    +0.010 A 
ENDBRANCH   3   9
BRANCH   7  19
ATOM     19  N   LIG    1       -4.822   0.452  -0.148  0.00  0.00    -0.343 N 
ATOM     20  H   LIG    1       -5.313   0.020   0.628  0.00  0.00    +0.144 HD
ATOM     21  H   LIG    1       -5.000   1.450  -0.124  0.00  0.00    +0.144 HD
ENDBRANCH   7  19
TORSDOF 2