REMARK  Name = BDB020473
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.017  -1.063  -0.852  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1        2.134  -0.586  -0.113  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        3.431  -0.769  -0.638  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        4.542  -0.293   0.073  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1        4.355   0.360   1.288  0.00  0.00    +0.112 A 
ATOM      6  N   LIG    1        3.124   0.555   1.819  0.00  0.00    -0.251 NA
ATOM      7  C   LIG    1        3.599  -1.426  -1.868  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        2.500  -1.903  -2.581  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        2.062   0.080   1.122  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1        1.215  -1.723  -2.075  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -4.658  -0.891  -1.085  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1       -3.748   0.181  -0.494  0.00  0.00    +0.171 C 
ATOM     13  N   LIG    1       -2.438  -0.354  -0.181  0.00  0.00    -0.318 N 
ATOM     14  C   LIG    1       -1.369  -0.256  -1.030  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1       -0.340  -0.892  -0.368  0.00  0.00    +0.094 A 
ATOM     16  N   LIG    1       -0.763  -1.343   0.860  0.00  0.00    -0.232 NA
ATOM     17  C   LIG    1       -1.506   0.430  -2.324  0.00  0.00    +0.163 C 
ATOM     18  N   LIG    1       -2.476   1.511  -2.196  0.00  0.00    -0.297 N 
ATOM     19  C   LIG    1       -2.414   2.560  -3.199  0.00  0.00    +0.132 C 
ATOM     20  C   LIG    1       -2.029  -0.997   0.951  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1       -3.651   1.363  -1.462  0.00  0.00    +0.238 C 
ATOM     22  O   LIG    1       -4.607   2.133  -1.587  0.00  0.00    -0.273 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -2.907  -1.308   2.195  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -3.253  -0.190   3.143  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -2.274  -1.246   3.561  0.00  0.00    +0.012 C 
ENDBRANCH  20  23
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1        5.505   0.868   2.041  0.00  0.00    +0.222 A 
ATOM     27  N   LIG    1        5.450   1.519   3.221  0.00  0.00    -0.132 NA
ATOM     28  N   LIG    1        6.751   1.738   3.437  0.00  0.00    -0.176 N 
ATOM     29  H   LIG    1        7.085   2.221   4.267  0.00  0.00    +0.214 HD
ATOM     30  N   LIG    1        7.591   1.289   2.499  0.00  0.00    -0.048 NA
ATOM     31  N   LIG    1        6.805   0.725   1.593  0.00  0.00    -0.106 NA
ENDBRANCH   5  26
TORSDOF 3