REMARK  Name = BDB020561
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.142  -0.346  -1.421  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1        1.137  -0.211  -0.808  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1        2.275  -0.693  -1.479  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1        3.511  -0.619  -0.961  0.00  0.00    -0.246 NA
ATOM      5  C   LIG    1        3.700  -0.055   0.262  0.00  0.00    +0.083 A 
ATOM      6  C   LIG    1        2.657   0.484   1.001  0.00  0.00    +0.044 A 
ATOM      7  C   LIG    1        2.126  -1.280  -2.727  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.881  -1.403  -3.341  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        1.367   0.378   0.454  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1       -0.252  -0.935  -2.689  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -5.719   0.118  -0.520  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1       -4.664  -0.138   0.551  0.00  0.00    +0.171 C 
ATOM     13  N   LIG    1       -3.342   0.250   0.097  0.00  0.00    -0.318 N 
ATOM     14  C   LIG    1       -2.471  -0.628  -0.489  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1       -1.353   0.126  -0.772  0.00  0.00    +0.094 A 
ATOM     16  N   LIG    1       -1.520   1.418  -0.329  0.00  0.00    -0.232 NA
ATOM     17  C   LIG    1       -2.851  -2.039  -0.671  0.00  0.00    +0.163 C 
ATOM     18  N   LIG    1       -3.705  -2.449   0.438  0.00  0.00    -0.297 N 
ATOM     19  C   LIG    1       -3.791  -3.875   0.701  0.00  0.00    +0.132 C 
ATOM     20  C   LIG    1       -2.728   1.465   0.193  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1       -4.695  -1.614   0.954  0.00  0.00    +0.238 C 
ATOM     22  O   LIG    1       -5.595  -2.031   1.687  0.00  0.00    -0.273 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.330   2.746   0.835  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -2.840   4.094   0.375  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -4.216   3.631  -0.002  0.00  0.00    +0.012 C 
ENDBRANCH  20  23
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1        5.085  -0.086   0.703  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        6.163   0.129  -0.133  0.00  0.00    +0.118 A 
ATOM     28  N   LIG    1        7.281  -0.018   0.632  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        8.651   0.117   0.203  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        7.016  -0.334   1.912  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        5.680  -0.384   1.950  0.00  0.00    +0.144 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1        2.834   1.158   2.326  0.00  0.00    +0.374 C 
ATOM     33  F   LIG    1        3.889   2.017   2.371  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1        3.019   0.271   3.343  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4