REMARK  Name = BDB056723
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.164   1.315   0.219  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -0.117  -0.074  -0.048  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1       -1.295  -0.720   0.247  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -1.097  -2.016  -0.218  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1       -2.122  -2.966  -0.086  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -3.328  -2.579   0.512  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -3.508  -1.269   0.957  0.00  0.00    +0.132 A 
ATOM      8  N   LIG    1        0.155  -2.159  -0.760  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1       -2.489  -0.312   0.858  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1        0.739  -0.981  -0.637  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1       -4.691  -0.970   1.593  0.00  0.00    -0.438 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -5.542  -0.065   0.958  0.00  0.00    +0.220 A 
ATOM     13  N   LIG    1       -5.243   0.429  -0.266  0.00  0.00    -0.221 NA
ATOM     14  C   LIG    1       -6.142   1.275  -0.817  0.00  0.00    +0.114 A 
ATOM     15  C   LIG    1       -7.324   1.658  -0.201  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -7.605   1.139   1.059  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1       -6.700   0.260   1.651  0.00  0.00    +0.067 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  18
ATOM     18  C   LIG    1        2.123  -0.658  -1.098  0.00  0.00    +0.303 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.837  -0.138   0.024  0.00  0.00    -0.484 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.141   0.221  -0.174  0.00  0.00    +0.122 A 
ATOM     21  C   LIG    1        4.862   0.075  -1.359  0.00  0.00    +0.060 A 
ATOM     22  C   LIG    1        6.201   0.491  -1.407  0.00  0.00    +0.062 A 
ATOM     23  C   LIG    1        6.811   1.079  -0.295  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1        6.091   1.220   0.888  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        4.765   0.785   0.946  0.00  0.00    +0.046 A 
BRANCH  22  26
ATOM     26  C   LIG    1        6.989   0.348  -2.649  0.00  0.00    +0.337 C 
ATOM     27  O   LIG    1        7.694   1.234  -3.096  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1        6.865  -0.876  -3.206  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1        6.422  -1.538  -2.643  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  22  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  10  18
TORSDOF 7