REMARK  Name = BDB020563
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.264  -1.468  -0.302  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1        1.397  -0.611  -0.362  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        2.689  -1.178  -0.326  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        3.816  -0.343  -0.372  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        3.647   1.035  -0.447  0.00  0.00    +0.075 A 
ATOM      6  N   LIG    1        2.427   1.611  -0.480  0.00  0.00    -0.254 NA
ATOM      7  C   LIG    1        2.834  -2.572  -0.244  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        1.720  -3.408  -0.199  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.348   0.790  -0.445  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1        0.441  -2.859  -0.229  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -5.366  -1.513   0.400  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1       -4.413  -0.426   0.886  0.00  0.00    +0.171 C 
ATOM     13  N   LIG    1       -3.151  -0.468   0.172  0.00  0.00    -0.318 N 
ATOM     14  C   LIG    1       -2.058  -1.149   0.635  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1       -1.088  -0.942  -0.322  0.00  0.00    +0.094 A 
ATOM     16  N   LIG    1       -1.564  -0.125  -1.320  0.00  0.00    -0.232 NA
ATOM     17  C   LIG    1       -2.121  -1.873   1.916  0.00  0.00    +0.163 C 
ATOM     18  N   LIG    1       -3.005  -1.155   2.826  0.00  0.00    -0.297 N 
ATOM     19  C   LIG    1       -2.835  -1.422   4.243  0.00  0.00    +0.132 C 
ATOM     20  C   LIG    1       -2.809   0.151  -0.995  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1       -4.198  -0.578   2.394  0.00  0.00    +0.238 C 
ATOM     22  O   LIG    1       -5.080  -0.221   3.179  0.00  0.00    -0.273 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.727   1.076  -1.843  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -4.669   0.453  -2.839  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -3.465   1.208  -3.321  0.00  0.00    +0.012 C 
ENDBRANCH  20  23
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1        4.765   1.962  -0.492  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        6.111   1.649  -0.479  0.00  0.00    +0.118 A 
ATOM     28  N   LIG    1        6.782   2.838  -0.537  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        8.211   3.029  -0.551  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        5.974   3.910  -0.584  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        4.749   3.375  -0.560  0.00  0.00    +0.144 A 
ENDBRANCH   5  26
TORSDOF 3