REMARK  Name = BDB046993
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.286   0.974  -1.309  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -4.228   0.876  -0.689  0.00  0.00    +0.246 C 
ATOM      3  C   LIG    1       -3.752  -0.453  -0.229  0.00  0.00    +0.061 A 
ATOM      4  C   LIG    1       -2.428  -0.771   0.151  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -2.084  -2.072   0.546  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -3.067  -3.080   0.575  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -4.375  -2.782   0.200  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.699  -2.080   0.842  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1       -0.201  -0.814   0.625  0.00  0.00    +0.020 A 
ATOM     10  N   LIG    1       -1.263  -0.022   0.229  0.00  0.00    -0.342 N 
ATOM     11  C   LIG    1       -1.181   1.398  -0.072  0.00  0.00    +0.141 C 
ATOM     12  C   LIG    1       -2.384   2.173   0.437  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1       -4.705  -1.492  -0.199  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -3.530   2.022  -0.427  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1       -4.026   2.853  -0.728  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  16
ATOM     16  C   LIG    1        1.217  -0.345   0.775  0.00  0.00    +0.058 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.931  -0.252  -0.577  0.00  0.00    +0.041 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.348   0.243  -0.424  0.00  0.00    -0.047 A 
ATOM     19  C   LIG    1        3.640   1.610  -0.528  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        4.949   2.067  -0.366  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.976   1.165  -0.096  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        5.695  -0.196   0.014  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.387  -0.655  -0.147  0.00  0.00    +0.003 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   9  16
TORSDOF 3