REMARK  Name = BDB028182
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.890   0.414  -0.825  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -1.907  -0.305  -0.174  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -3.199   0.229  -0.058  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -3.477   1.475  -0.614  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -4.842   2.018  -0.526  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -5.769   1.221   0.098  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -6.717   1.577   0.168  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -5.530   0.010   0.668  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -5.124   3.115  -0.995  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -2.475   2.201  -1.265  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -4.321  -0.471   0.622  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -1.188   1.672  -1.367  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  16
ATOM     13  N   LIG    1        2.633  -0.334  -1.062  0.00  0.00    -0.271 N 
ATOM     14  N   LIG    1        2.207  -1.609  -1.079  0.00  0.00    -0.179 NA
ATOM     15  C   LIG    1        0.879  -1.497  -0.995  0.00  0.00    +0.142 A 
ATOM     16  C   LIG    1        0.444  -0.151  -0.935  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        1.615   0.576  -0.985  0.00  0.00    +0.116 A 
BRANCH  13  18
ATOM     18  C   LIG    1        4.053  -0.041  -1.147  0.00  0.00    +0.146 C 
BRANCH  18  20
ATOM     19  C   LIG    1        6.114   0.828  -0.010  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1        4.686   0.321   0.206  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1        4.699  -0.868   1.169  0.00  0.00    +0.009 C 
ENDBRANCH  18  20
ENDBRANCH  13  18
ENDBRANCH   1  16
BRANCH  11  22
ATOM     22  C   LIG    1       -4.090  -1.828   1.283  0.00  0.00    +0.136 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.385  -2.894   0.323  0.00  0.00    -0.325 NA
ATOM     24  H   LIG    1       -3.862  -2.753  -0.539  0.00  0.00    +0.119 HD
ATOM     25  H   LIG    1       -5.371  -2.818   0.062  0.00  0.00    +0.119 HD
ENDBRANCH  22  23
ENDBRANCH  11  22
TORSDOF 5