REMARK  Name = BDB047631
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.560   2.370   2.040  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -4.119   1.240   1.104  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -2.733   0.914   1.411  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -2.186   1.733   1.674  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.010   0.096   0.530  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1       -2.539  -0.851  -0.367  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -1.655  -1.588  -1.181  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1       -0.267  -1.451  -1.083  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1        0.269  -0.571  -0.159  0.00  0.00    +0.123 A 
ATOM     10  N   LIG    1       -3.897  -1.164  -0.571  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.110  -1.805  -1.325  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -5.027  -0.821   0.097  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.105  -1.262  -0.316  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.603   0.174   0.641  0.00  0.00    +0.070 A 
ATOM     15  C   LIG    1       -4.974   0.013   1.336  0.00  0.00    +0.118 C 
ENDROOT
BRANCH   9  16
ATOM     16  O   LIG    1        1.593  -0.342   0.081  0.00  0.00    -0.484 OA
BRANCH  16  17
ATOM     17  C   LIG    1        2.581  -0.940  -0.767  0.00  0.00    +0.200 C 
ATOM     18  C   LIG    1        2.952  -2.328  -0.243  0.00  0.00    +0.057 C 
BRANCH  17  19
ATOM     19  C   LIG    1        3.812  -0.044  -0.767  0.00  0.00    -0.008 A 
ATOM     20  C   LIG    1        4.509   0.195  -1.962  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        5.652   0.998  -1.971  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        6.114   1.569  -0.788  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.436   1.338   0.407  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.294   0.535   0.418  0.00  0.00    +0.007 A 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   9  16
TORSDOF 3