REMARK  Name = BDB056289
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.056  -0.255  -1.336  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.631  -1.587  -1.406  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        0.483  -1.997  -0.672  0.00  0.00    +0.014 A 
ATOM      4  C   LIG    1        1.187  -1.065   0.098  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        0.769   0.269   0.164  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -0.349   0.676  -0.566  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -2.054   1.189  -2.850  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.223   0.216  -2.118  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1       -3.443  -0.443  -1.975  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1       -3.760  -1.380  -0.900  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1       -5.253  -1.406  -0.553  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1       -5.836   0.023  -0.568  0.00  0.00    +0.060 C 
ATOM     13  C   LIG    1       -5.657   0.625  -1.988  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -4.560  -0.042  -2.812  0.00  0.00    +0.109 C 
BRANCH  12  15
ATOM     15  N   LIG    1       -7.259   0.110  -0.144  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1       -7.574  -0.558   1.130  0.00  0.00    +0.084 C 
ATOM     17  C   LIG    1       -6.977   0.143   2.352  0.00  0.00    +0.015 C 
ATOM     18  C   LIG    1       -7.425   1.599   2.420  0.00  0.00    +0.002 C 
ATOM     19  C   LIG    1       -7.204   2.313   1.088  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1       -7.764   1.499  -0.084  0.00  0.00    +0.084 C 
ENDBRANCH  12  15
ENDBRANCH   1   8
BRANCH   4  21
ATOM     21  C   LIG    1        2.358  -1.521   0.877  0.00  0.00    +0.247 C 
ATOM     22  N   LIG    1        3.608  -0.972   0.585  0.00  0.00    -0.297 N 
ATOM     23  C   LIG    1        4.754  -1.454   1.342  0.00  0.00    +0.109 C 
ATOM     24  C   LIG    1        5.830  -0.387   1.540  0.00  0.00    +0.038 C 
ATOM     25  C   LIG    1        6.044   0.512   0.302  0.00  0.00    +0.060 C 
ATOM     26  C   LIG    1        5.375  -0.080  -0.944  0.00  0.00    +0.038 C 
ATOM     27  C   LIG    1        3.885  -0.287  -0.681  0.00  0.00    +0.109 C 
ATOM     28  O   LIG    1        2.164  -2.375   1.738  0.00  0.00    -0.270 OA
BRANCH  25  29
ATOM     29  N   LIG    1        7.430   0.908   0.034  0.00  0.00    -0.299 NA
ATOM     30  C   LIG    1        8.080   1.643   1.115  0.00  0.00    +0.085 C 
ATOM     31  C   LIG    1        9.500   1.753   0.599  0.00  0.00    +0.017 C 
ATOM     32  C   LIG    1        9.740   0.425  -0.104  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1        8.352  -0.152  -0.368  0.00  0.00    +0.085 C 
ENDBRANCH  25  29
ENDBRANCH   4  21
TORSDOF 4