REMARK  Name = BDB017824
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.800  -1.160  -1.985  0.00  0.00    +0.103 C 
ATOM      2  C   LIG    1       -0.686  -1.440  -1.841  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.257  -2.407  -2.689  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1       -2.612  -2.728  -2.575  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -3.410  -2.090  -1.621  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -2.860  -1.141  -0.751  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -0.361  -3.132  -3.658  0.00  0.00    +0.035 C 
ATOM      8  C   LIG    1        0.586  -2.168  -4.369  0.00  0.00    +0.007 C 
ATOM      9  C   LIG    1       -1.495  -0.837  -0.863  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        1.189  -1.079  -3.473  0.00  0.00    +0.027 C 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -3.655  -0.463   0.266  0.00  0.00    +0.089 A 
ATOM     12  N   LIG    1       -3.179   0.634   0.983  0.00  0.00    -0.232 NA
ATOM     13  C   LIG    1       -4.161   0.940   1.789  0.00  0.00    +0.110 A 
ATOM     14  C   LIG    1       -4.421   1.937   2.843  0.00  0.00    +0.076 C 
ATOM     15  C   LIG    1       -5.664   1.329   3.543  0.00  0.00    +0.029 C 
ATOM     16  C   LIG    1       -6.325   0.400   2.507  0.00  0.00    +0.123 C 
ATOM     17  N   LIG    1       -5.222   0.110   1.618  0.00  0.00    -0.334 N 
ATOM     18  C   LIG    1       -4.942  -0.798   0.668  0.00  0.00    +0.115 A 
ENDBRANCH   6  11
BRANCH   1  20
ATOM     19  C   LIG    1        2.483   0.268  -0.858  0.00  0.00    +0.218 C 
ATOM     20  N   LIG    1        1.200   0.069  -1.316  0.00  0.00    -0.308 N 
ATOM     21  H   LIG    1        0.580   0.863  -1.403  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        3.368  -0.572  -0.989  0.00  0.00    -0.275 OA
BRANCH  19  27
ATOM     23  C   LIG    1        6.685   0.417   0.754  0.00  0.00    +0.109 C 
ATOM     24  C   LIG    1        5.699   0.653   1.870  0.00  0.00    +0.212 C 
ATOM     25  N   LIG    1        4.445   1.147   1.519  0.00  0.00    -0.301 N 
ATOM     26  C   LIG    1        4.169   1.797   0.232  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        2.716   1.647  -0.238  0.00  0.00    +0.092 C 
ATOM     28  C   LIG    1        1.736   1.973   0.897  0.00  0.00    +0.016 C 
ATOM     29  C   LIG    1        2.062   1.187   2.163  0.00  0.00    +0.020 C 
ATOM     30  C   LIG    1        3.503   1.422   2.599  0.00  0.00    +0.108 C 
ATOM     31  O   LIG    1        6.017   0.406   3.034  0.00  0.00    -0.276 OA
ENDBRANCH  19  27
ENDBRANCH   1  20
TORSDOF 3