REMARK  Name = BDB029274
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.923  -1.555  -0.391  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        1.499  -2.195   0.942  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.019  -2.127   0.861  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -0.233  -2.398  -0.623  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.769  -1.587  -1.278  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1        4.972   2.082   0.604  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1        3.729   1.542   0.246  0.00  0.00    +0.058 A 
ATOM      8  C   LIG    1        2.436   2.045  -0.059  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        1.619   0.966  -0.323  0.00  0.00    +0.091 A 
ATOM     10  N   LIG    1        2.373  -0.177  -0.219  0.00  0.00    -0.303 N 
ATOM     11  C   LIG    1        3.656   0.159   0.147  0.00  0.00    +0.148 A 
ATOM     12  N   LIG    1        4.654  -0.709   0.376  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1        5.793  -0.077   0.707  0.00  0.00    +0.225 A 
ATOM     14  N   LIG    1        6.003   1.247   0.838  0.00  0.00    -0.220 NA
BRANCH   6  15
ATOM     15  N   LIG    1        5.205   3.441   0.756  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1        4.399   3.987   1.023  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1        6.058   3.603   1.278  0.00  0.00    +0.144 HD
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  O   LIG    1        1.916  -3.570   1.015  0.00  0.00    -0.385 OA
ATOM     19  H   LIG    1        1.182  -4.065   1.430  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1       -0.632  -3.093   1.706  0.00  0.00    -0.386 OA
ATOM     21  H   LIG    1       -0.530  -2.782   2.625  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   4  22
ATOM     22  C   LIG    1       -1.672  -2.162  -1.125  0.00  0.00    +0.176 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.176  -0.735  -1.014  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -3.061  -0.382   0.019  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -3.511   0.926   0.095  0.00  0.00    -0.044 A 
ATOM     26  C   LIG    1       -4.418   1.530   1.122  0.00  0.00    +0.036 C 
ATOM     27  C   LIG    1       -4.841   2.828   0.420  0.00  0.00    +0.009 C 
ATOM     28  C   LIG    1       -3.681   3.228  -0.503  0.00  0.00    +0.036 C 
ATOM     29  C   LIG    1       -3.094   1.889  -0.828  0.00  0.00    -0.044 A 
ATOM     30  C   LIG    1       -2.218   1.568  -1.848  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -1.766   0.250  -1.940  0.00  0.00    +0.006 A 
ENDBRANCH  22  23
BRANCH  22  32
ATOM     32  O   LIG    1       -1.790  -2.616  -2.481  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1       -2.523  -2.124  -2.889  0.00  0.00    +0.210 HD
ENDBRANCH  22  32
ENDBRANCH   4  22
TORSDOF 7