REMARK  Name = BDB056521
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.281   2.057  -2.298  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        1.505   2.086  -1.343  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        0.230   1.538  -1.413  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1       -0.747   1.573  -0.320  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1       -2.186   1.302  -0.778  0.00  0.00    +0.126 C 
ATOM      6  N   LIG    1       -2.316   0.064  -1.556  0.00  0.00    -0.298 N 
ATOM      7  C   LIG    1       -3.478  -0.696  -1.675  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1       -3.528  -1.691  -2.406  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -1.140  -0.342  -2.340  0.00  0.00    +0.126 C 
ATOM     10  C   LIG    1       -0.165   0.810  -2.625  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -4.678  -0.288  -0.810  0.00  0.00    +0.075 C 
ATOM     12  C   LIG    1       -4.499  -0.823   0.616  0.00  0.00    +0.013 C 
ATOM     13  C   LIG    1       -5.198  -2.177   0.593  0.00  0.00    +0.001 C 
ATOM     14  C   LIG    1       -6.426  -1.938  -0.264  0.00  0.00    +0.001 C 
ATOM     15  C   LIG    1       -6.010  -0.887  -1.294  0.00  0.00    +0.013 C 
ENDBRANCH   7  11
BRANCH   2  16
ATOM     16  C   LIG    1        1.870   2.801  -0.049  0.00  0.00    +0.103 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.375   2.978   0.126  0.00  0.00    +0.083 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.020   1.776   0.783  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1        5.228   2.026   1.390  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        5.608   2.959   1.420  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1        5.910   1.086   2.120  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1        6.904   1.370   2.784  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        5.343  -0.274   2.087  0.00  0.00    +0.065 A 
ATOM     24  C   LIG    1        4.150  -0.459   1.377  0.00  0.00    +0.078 A 
ATOM     25  C   LIG    1        3.616  -1.750   1.292  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        4.251  -2.826   1.922  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.429  -2.622   2.644  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        5.985  -1.342   2.726  0.00  0.00    +0.015 A 
ATOM     29  N   LIG    1        3.470   0.603   0.753  0.00  0.00    -0.234 NA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 4