REMARK  Name = BDB028332
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.579   1.614   1.643  0.00  0.00    +0.077 A 
ATOM      2  N   LIG    1        0.971   2.678   2.428  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1        2.208   3.421   2.346  0.00  0.00    +0.173 C 
ATOM      4  N   LIG    1        0.083   2.997   3.389  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1       -0.878   2.086   3.250  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1       -0.637   1.204   2.174  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1       -1.428   0.082   1.708  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -1.817  -0.009   0.362  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -2.577  -1.099  -0.083  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -2.970  -2.076   0.826  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -3.820  -3.188   0.369  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -4.181  -3.164  -0.954  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -4.775  -3.919  -1.287  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -3.794  -2.240  -1.876  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -4.194  -4.068   1.137  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -2.590  -1.992   2.172  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -3.021  -1.267  -1.490  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -1.817  -0.915   2.610  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -2.590  -0.258  -2.553  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.601   0.798  -2.662  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -4.484   0.359  -2.940  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -3.782   1.210  -1.747  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6   7
BRANCH   1  27
ATOM     23  C   LIG    1        2.848   0.097  -1.660  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1        2.828  -0.635  -0.456  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        3.584  -1.938  -0.331  0.00  0.00    +0.049 C 
ATOM     26  C   LIG    1        2.088  -0.140   0.647  0.00  0.00    +0.067 A 
ATOM     27  C   LIG    1        1.379   1.072   0.541  0.00  0.00    +0.018 A 
ATOM     28  C   LIG    1        1.409   1.777  -0.667  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1        2.135   1.294  -1.755  0.00  0.00    +0.046 A 
BRANCH  23  31
ATOM     30  C   LIG    1        3.726   0.320  -3.873  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        3.579  -0.444  -2.684  0.00  0.00    -0.495 OA
ENDBRANCH  23  31
BRANCH  26  32
ATOM     32  C   LIG    1        2.067  -0.879   1.883  0.00  0.00    +0.100 C 
ATOM     33  N   LIG    1        2.066  -1.488   2.873  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH   1  27
TORSDOF 6