REMARK  Name = BDB056271
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.666  -2.154  -1.302  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.410  -1.744  -2.099  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        1.714  -1.844  -1.611  0.00  0.00    +0.014 A 
ATOM      4  C   LIG    1        1.939  -2.349  -0.323  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        0.867  -2.805   0.453  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -0.438  -2.708  -0.036  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.318  -2.498   0.203  0.00  0.00    +0.247 C 
ATOM      8  N   LIG    1        4.213  -1.427   0.070  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1        5.581  -1.677   0.513  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1        6.572  -0.733  -0.160  0.00  0.00    +0.027 C 
ATOM     11  C   LIG    1        6.194   0.744   0.031  0.00  0.00    -0.013 C 
ATOM     12  C   LIG    1        7.145   1.664  -0.742  0.00  0.00    +0.088 C 
ATOM     13  N   LIG    1        6.956   2.954  -0.084  0.00  0.00    -0.315 NA
ATOM     14  H   LIG    1        7.717   3.593  -0.306  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1        6.917   2.668   1.349  0.00  0.00    +0.081 C 
ATOM     16  C   LIG    1        6.403   1.234   1.477  0.00  0.00    +0.023 C 
ATOM     17  C   LIG    1        4.731   0.948  -0.434  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1        3.760  -0.041   0.208  0.00  0.00    +0.108 C 
ATOM     19  O   LIG    1        3.621  -3.575   0.710  0.00  0.00    -0.270 OA
ENDBRANCH   4   7
BRANCH   1  21
ATOM     20  O   LIG    1       -2.232  -2.541  -2.971  0.00  0.00    -0.270 OA
ATOM     21  C   LIG    1       -2.037  -2.061  -1.857  0.00  0.00    +0.247 C 
ATOM     22  N   LIG    1       -3.033  -1.443  -1.101  0.00  0.00    -0.297 N 
ATOM     23  C   LIG    1       -2.776  -0.564   0.040  0.00  0.00    +0.109 C 
ATOM     24  C   LIG    1       -3.803   0.560   0.128  0.00  0.00    +0.038 C 
ATOM     25  C   LIG    1       -5.241   0.015   0.289  0.00  0.00    +0.060 C 
ATOM     26  C   LIG    1       -5.421  -1.295  -0.517  0.00  0.00    +0.038 C 
ATOM     27  C   LIG    1       -4.394  -1.450  -1.631  0.00  0.00    +0.109 C 
BRANCH  25  28
ATOM     28  N   LIG    1       -6.244   1.045  -0.061  0.00  0.00    -0.299 NA
ATOM     29  C   LIG    1       -6.067   2.311   0.664  0.00  0.00    +0.085 C 
ATOM     30  C   LIG    1       -7.368   3.049   0.399  0.00  0.00    +0.017 C 
ATOM     31  C   LIG    1       -8.409   1.953   0.232  0.00  0.00    +0.017 C 
ATOM     32  C   LIG    1       -7.625   0.647   0.248  0.00  0.00    +0.085 C 
ENDBRANCH  25  28
ENDBRANCH   1  21
TORSDOF 3