REMARK  Name = BDB020514
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.285  -0.481  -1.581  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1        1.011  -0.247  -1.042  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1        2.139  -0.727  -1.734  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1        3.393  -0.558  -1.287  0.00  0.00    -0.246 NA
ATOM      5  C   LIG    1        3.602   0.096  -0.116  0.00  0.00    +0.083 A 
ATOM      6  C   LIG    1        2.570   0.634   0.641  0.00  0.00    +0.044 A 
ATOM      7  C   LIG    1        1.957  -1.409  -2.929  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.690  -1.631  -3.469  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        1.266   0.443   0.163  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1       -0.431  -1.166  -2.795  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -4.367  -0.439   2.357  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1       -4.575  -0.327   0.850  0.00  0.00    +0.171 C 
ATOM     13  N   LIG    1       -3.361   0.088   0.173  0.00  0.00    -0.318 N 
ATOM     14  C   LIG    1       -2.474  -0.801  -0.369  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1       -1.480  -0.013  -0.908  0.00  0.00    +0.094 A 
ATOM     16  N   LIG    1       -1.755   1.318  -0.704  0.00  0.00    -0.232 NA
ATOM     17  C   LIG    1       -2.716  -2.249  -0.256  0.00  0.00    +0.163 C 
ATOM     18  N   LIG    1       -4.151  -2.492  -0.340  0.00  0.00    -0.297 N 
ATOM     19  C   LIG    1       -4.564  -3.829  -0.728  0.00  0.00    +0.132 C 
ATOM     20  C   LIG    1       -2.901   1.352  -0.059  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1       -5.074  -1.670   0.307  0.00  0.00    +0.238 C 
ATOM     22  O   LIG    1       -6.249  -2.003   0.477  0.00  0.00    -0.273 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.604   2.674   0.362  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -3.362   3.216   1.746  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -2.771   3.914   0.557  0.00  0.00    +0.012 C 
ENDBRANCH  20  23
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1        5.000   0.203   0.254  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        5.999   0.594  -0.615  0.00  0.00    +0.118 A 
ATOM     28  N   LIG    1        7.162   0.549   0.094  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        8.486   0.860  -0.387  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        6.995   0.165   1.373  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        5.683  -0.079   1.457  0.00  0.00    +0.144 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1        2.805   1.397   1.908  0.00  0.00    +0.374 C 
ATOM     33  F   LIG    1        3.143   0.582   2.946  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1        1.704   2.081   2.338  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4