REMARK  Name = BDB016944
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.198  -0.200  -2.105  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1        0.518  -0.756  -3.327  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1        1.770  -0.627  -4.034  0.00  0.00    +0.150 C 
ATOM      4  C   LIG    1       -0.546  -1.492  -3.758  0.00  0.00    +0.200 A 
ATOM      5  N   LIG    1       -1.532  -1.459  -2.895  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -1.090  -0.666  -1.850  0.00  0.00    +0.115 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        2.557   0.960   0.584  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        1.693   0.151  -0.165  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        1.108   0.643  -1.337  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        1.406   1.943  -1.765  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1        2.290   2.741  -1.036  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        2.868   2.249   0.134  0.00  0.00    +0.013 A 
BRANCH   7  16
ATOM     13  C   LIG    1        2.898  -0.895   3.861  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        2.450  -0.455   2.564  0.00  0.00    -0.314 N 
ATOM     15  H   LIG    1        1.478  -0.599   2.325  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        3.172   0.482   1.852  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1        4.243   0.944   2.230  0.00  0.00    -0.270 OA
ENDBRANCH   7  16
ENDBRANCH   1   9
BRANCH   6  18
ATOM     18  C   LIG    1       -1.928  -0.392  -0.682  0.00  0.00    +0.092 A 
ATOM     19  N   LIG    1       -1.455   0.460   0.265  0.00  0.00    -0.253 NA
ATOM     20  C   LIG    1       -2.233   0.727   1.335  0.00  0.00    +0.112 A 
ATOM     21  C   LIG    1       -3.490   0.188   1.517  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1       -3.962  -0.677   0.532  0.00  0.00    +0.062 A 
ATOM     23  C   LIG    1       -3.176  -0.989  -0.574  0.00  0.00    +0.045 A 
BRANCH  22  24
ATOM     24  C   LIG    1       -5.289  -1.307   0.660  0.00  0.00    +0.337 C 
ATOM     25  O   LIG    1       -5.481  -2.497   0.500  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -6.258  -0.414   0.950  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1       -5.989   0.521   0.872  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH   6  18
TORSDOF 5