REMARK  Name = BDB056522
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.264   1.895  -1.287  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.397   1.020  -1.321  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -0.876   1.227  -0.819  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1       -1.222   2.561  -0.312  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1       -2.724   2.850  -0.391  0.00  0.00    +0.127 C 
ATOM      6  N   LIG    1       -3.532   1.830   0.283  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -4.865   2.146   0.578  0.00  0.00    +0.282 C 
ATOM      8  O   LIG    1       -5.352   3.199   0.165  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1       -2.972   0.475   0.331  0.00  0.00    +0.127 C 
ATOM     10  C   LIG    1       -1.938   0.213  -0.777  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -5.630   1.213   1.389  0.00  0.00    +0.189 A 
ATOM     12  O   LIG    1       -6.968   1.080   1.122  0.00  0.00    -0.458 OA
ATOM     13  C   LIG    1       -7.476   0.185   2.005  0.00  0.00    +0.196 A 
ATOM     14  C   LIG    1       -6.495  -0.262   2.855  0.00  0.00    +0.042 A 
ATOM     15  C   LIG    1       -5.307   0.406   2.468  0.00  0.00    +0.054 A 
ENDBRANCH   7  11
BRANCH   2  16
ATOM     16  C   LIG    1        0.697  -0.353  -1.904  0.00  0.00    +0.103 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.057  -0.405  -2.596  0.00  0.00    +0.083 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.168  -0.625  -1.594  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1        3.536   0.462  -0.849  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        3.030   1.341  -0.947  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1        4.495   0.415   0.131  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1        4.773   1.380   0.832  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        5.164  -0.886   0.296  0.00  0.00    +0.065 A 
ATOM     24  C   LIG    1        4.732  -1.940  -0.515  0.00  0.00    +0.078 A 
ATOM     25  C   LIG    1        5.349  -3.185  -0.374  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        6.373  -3.371   0.560  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        6.792  -2.309   1.364  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.186  -1.060   1.235  0.00  0.00    +0.015 A 
ATOM     29  N   LIG    1        3.704  -1.794  -1.463  0.00  0.00    -0.234 NA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 4