REMARK  Name = BDB057982
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.783   0.954  -0.839  0.00  0.00    -0.038 A 
ATOM      2  C   LIG    1       -2.985  -0.214  -0.084  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1       -1.875  -0.925   0.407  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -0.546  -0.515   0.164  0.00  0.00    -0.025 A 
ATOM      5  C   LIG    1        0.632  -1.340   0.729  0.00  0.00    +0.031 C 
ATOM      6  C   LIG    1        1.947  -0.707   0.341  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        2.125   0.439  -0.406  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        1.004   1.195  -0.926  0.00  0.00    +0.196 C 
ATOM      9  O   LIG    1        1.139   2.213  -1.595  0.00  0.00    -0.287 OA
ATOM     10  C   LIG    1        3.526   0.665  -0.526  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.168  -0.366   0.163  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1        5.563  -0.461   0.254  0.00  0.00    +0.045 A 
ATOM     13  C   LIG    1        6.328   0.530  -0.380  0.00  0.00    +0.054 A 
ATOM     14  C   LIG    1        5.711   1.572  -1.076  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1        4.315   1.649  -1.155  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1        3.188  -1.184   0.680  0.00  0.00    -0.357 N 
ATOM     17  H   LIG    1        3.371  -2.014   1.230  0.00  0.00    +0.166 HD
ATOM     18  C   LIG    1        0.582  -2.773   0.157  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1        0.538  -1.388   2.269  0.00  0.00    +0.022 C 
ATOM     20  C   LIG    1       -0.356   0.658  -0.601  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1       -1.464   1.375  -1.085  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   2  22
ATOM     22  C   LIG    1       -4.309  -0.729   0.221  0.00  0.00    +0.086 A 
ATOM     23  N   LIG    1       -5.153  -1.290  -0.700  0.00  0.00    -0.257 N 
ATOM     24  H   LIG    1       -5.021  -1.416  -1.696  0.00  0.00    +0.191 HD
ATOM     25  N   LIG    1       -6.293  -1.714  -0.136  0.00  0.00    -0.068 NA
ATOM     26  N   LIG    1       -6.216  -1.454   1.161  0.00  0.00    -0.138 NA
ATOM     27  C   LIG    1       -5.010  -0.859   1.401  0.00  0.00    +0.164 A 
ENDBRANCH   2  22
BRANCH   1  29
ATOM     28  C   LIG    1       -4.391   2.814  -0.299  0.00  0.00    +0.009 C 
ATOM     29  C   LIG    1       -3.913   1.822  -1.350  0.00  0.00    +0.032 C 
ENDBRANCH   1  29
BRANCH  13  30
ATOM     30  C   LIG    1        7.760   0.469  -0.310  0.00  0.00    +0.099 C 
ATOM     31  N   LIG    1        8.917   0.411  -0.249  0.00  0.00    -0.191 NA
ENDBRANCH  13  30
TORSDOF 3