REMARK  Name = BDB020517
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.483  -0.202   0.091  0.00  0.00    +0.075 A 
ATOM      2  N   LIG    1        2.489   0.704   0.215  0.00  0.00    -0.254 NA
ATOM      3  C   LIG    1        1.246   0.317  -0.164  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1        0.905  -0.958  -0.647  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1        1.968  -1.881  -0.748  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        1.717  -3.180  -1.221  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        0.433  -3.569  -1.598  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.623  -2.667  -1.498  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -0.404  -1.368  -1.016  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        3.262  -1.493  -0.374  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -1.535  -0.465  -0.916  0.00  0.00    +0.094 A 
ATOM     12  C   LIG    1       -2.656  -0.643  -0.133  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1       -3.123  -1.671   0.812  0.00  0.00    +0.163 C 
ATOM     14  N   LIG    1       -4.575  -1.771   0.714  0.00  0.00    -0.297 N 
ATOM     15  C   LIG    1       -5.382  -0.638   0.605  0.00  0.00    +0.238 C 
ATOM     16  C   LIG    1       -4.701   0.693   0.272  0.00  0.00    +0.171 C 
ATOM     17  C   LIG    1       -4.568   1.524   1.544  0.00  0.00    +0.041 C 
ATOM     18  O   LIG    1       -6.600  -0.675   0.796  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1       -5.176  -3.010   1.175  0.00  0.00    +0.132 C 
ATOM     20  N   LIG    1       -3.413   0.475  -0.360  0.00  0.00    -0.318 N 
ATOM     21  C   LIG    1       -2.755   1.267  -1.254  0.00  0.00    +0.114 A 
ATOM     22  N   LIG    1       -1.604   0.727  -1.595  0.00  0.00    -0.232 NA
BRANCH  21  23
ATOM     23  C   LIG    1       -3.259   2.625  -1.820  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -2.990   3.884  -1.038  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -2.251   3.628  -2.318  0.00  0.00    +0.012 C 
ENDBRANCH  21  23
ENDBRANCH   9  11
BRANCH   1  28
ATOM     26  C   LIG    1        6.522  -0.952  -1.091  0.00  0.00    +0.068 C 
ATOM     27  C   LIG    1        6.114  -0.065   0.026  0.00  0.00    +0.069 A 
ATOM     28  C   LIG    1        4.805   0.244   0.497  0.00  0.00    +0.041 A 
ATOM     29  C   LIG    1        5.019   1.165   1.504  0.00  0.00    +0.118 A 
ATOM     30  N   LIG    1        6.365   1.331   1.597  0.00  0.00    -0.274 N 
ATOM     31  C   LIG    1        7.071   2.201   2.504  0.00  0.00    +0.172 C 
ATOM     32  N   LIG    1        7.060   0.582   0.725  0.00  0.00    -0.176 NA
ENDBRANCH   1  28
TORSDOF 3