REMARK  Name = BDB050426
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.939  -0.800   0.488  0.00  0.00    +0.022 A 
ATOM      2  C   LIG    1        1.932  -2.046  -0.119  0.00  0.00    -0.022 A 
ATOM      3  C   LIG    1        3.077  -2.989  -0.248  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1        0.600  -2.275  -0.598  0.00  0.00    +0.003 A 
ATOM      5  C   LIG    1       -0.164  -1.155  -0.273  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1       -1.529  -1.036  -0.597  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -2.116  -2.118  -1.277  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -1.378  -3.250  -1.613  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.023  -3.340  -1.280  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1        0.672  -0.282   0.387  0.00  0.00    -0.357 N 
ATOM     11  H   LIG    1        0.373   0.613   0.752  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -2.287   0.166  -0.238  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -2.908   0.297   1.016  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1       -2.849  -0.799   2.044  0.00  0.00    +0.066 C 
ATOM     15  N   LIG    1       -3.594   1.408   1.396  0.00  0.00    -0.237 NA
ATOM     16  C   LIG    1       -3.701   2.424   0.531  0.00  0.00    +0.117 A 
ATOM     17  C   LIG    1       -3.131   2.381  -0.733  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1       -2.409   1.249  -1.132  0.00  0.00    -0.038 A 
ATOM     19  C   LIG    1       -1.788   1.219  -2.503  0.00  0.00    +0.044 C 
BRANCH  16  20
ATOM     20  N   LIG    1       -4.428   3.547   0.937  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1       -3.842   4.374   0.881  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1       -5.222   3.676   0.319  0.00  0.00    +0.144 HD
ENDBRANCH  16  20
ENDBRANCH   6  12
BRANCH   1  23
ATOM     23  C   LIG    1        3.034  -0.042   1.167  0.00  0.00    +0.081 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.853   0.790   0.177  0.00  0.00    +0.165 C 
BRANCH  24  26
ATOM     25  C   LIG    1        4.592   2.628   1.496  0.00  0.00    +0.194 C 
ATOM     26  O   LIG    1        4.957   1.437   0.813  0.00  0.00    -0.383 OA
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 5