REMARK  Name = BDB044022
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.545  -2.795   0.621  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        2.054  -1.697   0.390  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1        2.873  -0.497   0.169  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1        2.198   0.697  -0.086  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        2.949   1.854  -0.299  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        4.347   1.813  -0.257  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        5.007   0.611  -0.001  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1        0.796   0.777  -0.136  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        0.098  -0.298   0.062  0.00  0.00    +0.141 A 
ATOM     10  C   LIG    1        4.270  -0.553   0.214  0.00  0.00    +0.015 A 
ATOM     11  N   LIG    1        0.696  -1.513   0.320  0.00  0.00    -0.306 N 
ATOM     12  H   LIG    1        0.170  -2.357   0.476  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -1.399  -0.239   0.014  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1       -2.003   1.004  -0.250  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1       -3.395   1.135  -0.310  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1       -4.199   0.010  -0.104  0.00  0.00    +0.126 A 
ATOM     17  C   LIG    1       -3.617  -1.236   0.159  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1       -2.222  -1.358   0.218  0.00  0.00    +0.014 A 
BRANCH  16  19
ATOM     19  N   LIG    1       -5.661   0.136  -0.165  0.00  0.00    +0.056 N 
ATOM     20  O   LIG    1       -6.334  -0.888   0.024  0.00  0.00    -0.126 OA
ATOM     21  O   LIG    1       -6.135   1.256  -0.400  0.00  0.00    -0.126 OA
ENDBRANCH  16  19
ENDBRANCH   9  13
TORSDOF 2