REMARK  Name = BDB028391
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.525  -0.060  -1.043  0.00  0.00    +0.002 A 
ATOM      2  C   LIG    1        1.209  -0.320  -0.631  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        0.174  -0.472  -1.566  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1        0.526  -0.338  -2.909  0.00  0.00    +0.119 A 
ATOM      5  N   LIG    1        1.776  -0.075  -3.354  0.00  0.00    -0.262 NA
ATOM      6  C   LIG    1        2.740   0.052  -2.416  0.00  0.00    +0.119 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.207  -0.758  -1.152  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1       -1.873   0.074  -0.232  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -3.192  -0.199   0.164  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -3.851  -1.306  -0.360  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -5.234  -1.584   0.057  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -5.781  -0.704   0.958  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -6.736  -0.880   1.257  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -5.166   0.386   1.490  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -5.852  -2.547  -0.382  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -3.207  -2.146  -1.273  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -3.940   0.645   1.130  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -1.895  -1.871  -1.664  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -3.237   1.869   1.725  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -4.111   2.574   2.669  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -4.426   1.894   3.366  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -4.976   2.807   2.174  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3   7
BRANCH   1  25
ATOM     23  C   LIG    1        5.283   1.558   0.977  0.00  0.00    +0.052 A 
ATOM     24  C   LIG    1        4.232   1.358   0.071  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        3.625   0.094  -0.078  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.104  -0.976   0.709  0.00  0.00    +0.060 A 
ATOM     27  C   LIG    1        5.158  -0.771   1.614  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1        5.744   0.490   1.747  0.00  0.00    +0.020 A 
BRANCH  23  30
ATOM     29  N   LIG    1        6.362   3.905   1.218  0.00  0.00    -0.191 NA
ATOM     30  C   LIG    1        5.880   2.855   1.111  0.00  0.00    +0.099 C 
ENDBRANCH  23  30
BRANCH  26  31
ATOM     31  C   LIG    1        3.546  -2.297   0.607  0.00  0.00    +0.100 C 
ATOM     32  N   LIG    1        3.095  -3.364   0.546  0.00  0.00    -0.191 NA
ENDBRANCH  26  31
ENDBRANCH   1  25
TORSDOF 6