REMARK  Name = BDB056254
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.851  -1.118   0.441  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.322  -0.391   1.511  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.125   0.324   1.355  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        0.548   0.288   0.108  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        1.744   1.004  -0.049  0.00  0.00    +0.021 A 
ATOM      6  C   LIG    1        2.276   1.731   1.022  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1        1.603   1.788   2.243  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        0.010  -0.465  -0.949  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        0.413   1.079   2.410  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -1.181  -1.173  -0.782  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1       -3.044  -3.102   0.440  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -3.104  -1.886   0.600  0.00  0.00    +0.247 C 
ATOM     13  N   LIG    1       -4.276  -1.197   0.903  0.00  0.00    -0.297 N 
ATOM     14  C   LIG    1       -4.407   0.262   0.877  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1       -5.859   0.726   0.740  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -6.588  -0.132  -0.306  0.00  0.00    +0.060 C 
ATOM     17  C   LIG    1       -6.556  -1.632   0.074  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -5.499  -1.952   1.130  0.00  0.00    +0.109 C 
BRANCH  16  19
ATOM     19  N   LIG    1       -7.913   0.414  -0.627  0.00  0.00    -0.299 NA
ATOM     20  C   LIG    1       -8.868   0.509   0.475  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1      -10.231   0.622  -0.203  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1       -9.964   0.409  -1.686  0.00  0.00    +0.017 C 
ATOM     23  C   LIG    1       -8.603  -0.260  -1.724  0.00  0.00    +0.085 C 
ENDBRANCH  16  19
ENDBRANCH   1  12
BRANCH   6  24
ATOM     24  C   LIG    1        3.526   2.506   0.859  0.00  0.00    +0.247 C 
ATOM     25  N   LIG    1        4.671   1.855   0.404  0.00  0.00    -0.297 N 
ATOM     26  C   LIG    1        5.842   2.676   0.110  0.00  0.00    +0.109 C 
ATOM     27  C   LIG    1        6.854   1.928  -0.745  0.00  0.00    +0.038 C 
ATOM     28  C   LIG    1        7.367   0.676  -0.006  0.00  0.00    +0.060 C 
ATOM     29  C   LIG    1        6.252  -0.009   0.815  0.00  0.00    +0.038 C 
ATOM     30  C   LIG    1        4.849   0.400   0.375  0.00  0.00    +0.109 C 
ATOM     31  O   LIG    1        3.493   3.704   1.129  0.00  0.00    -0.270 OA
BRANCH  28  32
ATOM     32  N   LIG    1        8.127  -0.176  -0.933  0.00  0.00    -0.299 NA
ATOM     33  C   LIG    1        7.356  -0.934  -1.915  0.00  0.00    +0.085 C 
ATOM     34  C   LIG    1        8.376  -1.911  -2.486  0.00  0.00    +0.017 C 
ATOM     35  C   LIG    1        9.487  -1.992  -1.445  0.00  0.00    +0.017 C 
ATOM     36  C   LIG    1        8.998  -1.151  -0.278  0.00  0.00    +0.085 C 
ENDBRANCH  28  32
ENDBRANCH   6  24
TORSDOF 4