REMARK  Name = BDB018802
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.301   1.850  -0.124  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1       -0.172   1.027  -0.177  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1       -0.108  -0.411  -0.593  0.00  0.00    +0.057 C 
ATOM      4  C   LIG    1        1.396  -0.692  -0.568  0.00  0.00    +0.118 C 
ATOM      5  N   LIG    1        2.060   0.473   0.038  0.00  0.00    -0.269 N 
ATOM      6  C   LIG    1        3.416   0.593   0.314  0.00  0.00    +0.241 C 
ATOM      7  O   LIG    1        3.937   1.607   0.786  0.00  0.00    -0.273 OA
ATOM      8  C   LIG    1        1.096   1.491   0.197  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1        1.272   2.790   0.640  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        0.161   3.633   0.700  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -1.107   3.169   0.321  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1       -4.575  -0.061  -0.161  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1       -3.300   0.388   0.216  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1       -2.637   1.385  -0.516  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1       -3.290   1.939  -1.628  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -4.568   1.513  -1.998  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -5.213   0.517  -1.264  0.00  0.00    +0.013 A 
BRANCH  12  21
ATOM     18  C   LIG    1       -6.758  -3.034   0.696  0.00  0.00    +0.128 C 
ATOM     19  N   LIG    1       -6.166  -1.905   0.021  0.00  0.00    -0.314 N 
ATOM     20  H   LIG    1       -6.221  -1.881  -0.987  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1       -5.215  -1.131   0.656  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1       -4.864  -1.314   1.816  0.00  0.00    -0.270 OA
ENDBRANCH  12  21
ENDBRANCH   1  14
BRANCH   6  23
ATOM     23  C   LIG    1        4.270  -0.662   0.066  0.00  0.00    +0.170 C 
ATOM     24  N   LIG    1        5.702  -0.358  -0.271  0.00  0.00    -0.258 N 
ATOM     25  C   LIG    1        6.560  -0.860   0.823  0.00  0.00    +0.117 C 
ATOM     26  C   LIG    1        5.760  -2.015   1.397  0.00  0.00    +0.022 C 
ATOM     27  C   LIG    1        4.334  -1.497   1.353  0.00  0.00    +0.034 C 
BRANCH  24  28
ATOM     28  C   LIG    1        6.090   0.526  -1.198  0.00  0.00    +0.170 C 
ATOM     29  N   LIG    1        6.428   1.259  -2.028  0.00  0.00    -0.174 NA
ENDBRANCH  24  28
ENDBRANCH   6  23
TORSDOF 4