REMARK  Name = BDB031087
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.623   0.156  -0.296  0.00  0.00    +0.005 A 
ATOM      2  C   LIG    1       -4.518  -1.023  -0.520  0.00  0.00    -0.011 A 
ATOM      3  C   LIG    1       -4.084  -2.271  -0.211  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -2.796  -2.502   0.332  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1       -2.007  -1.392   0.580  0.00  0.00    -0.298 N 
ATOM      6  C   LIG    1       -0.832  -1.854   1.147  0.00  0.00    +0.091 A 
ATOM      7  C   LIG    1       -0.959  -3.231   1.124  0.00  0.00    +0.141 A 
ATOM      8  N   LIG    1       -2.182  -3.621   0.648  0.00  0.00    -0.235 NA
ATOM      9  C   LIG    1       -2.412  -0.098   0.260  0.00  0.00    +0.100 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        0.276  -1.039   1.605  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1        1.468  -1.367   1.058  0.00  0.00    -0.231 NA
ATOM     12  C   LIG    1        2.551  -0.665   1.434  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        2.482   0.351   2.380  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1        1.249   0.671   2.943  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        0.121  -0.036   2.551  0.00  0.00    +0.030 A 
BRANCH  12  16
ATOM     16  N   LIG    1        3.747  -1.063   0.834  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1        3.422  -1.802   0.202  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        4.460  -0.011   0.082  0.00  0.00    +0.119 C 
ATOM     19  C   LIG    1        4.927  -0.562  -1.280  0.00  0.00    +0.189 C 
ATOM     20  F   LIG    1        3.835  -0.835  -2.050  0.00  0.00    -0.243 F 
ATOM     21  C   LIG    1        5.794   0.443  -2.022  0.00  0.00    +0.054 C 
ATOM     22  C   LIG    1        6.972   0.879  -1.162  0.00  0.00    +0.084 C 
ATOM     23  N   LIG    1        6.533   1.426   0.122  0.00  0.00    -0.314 NA
ATOM     24  H   LIG    1        5.995   2.280  -0.036  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1        5.710   0.456   0.861  0.00  0.00    +0.106 C 
ENDBRANCH  16  18
ENDBRANCH  12  16
ENDBRANCH   6  10
BRANCH   1  27
ATOM     26  C   LIG    1       -4.894   2.219   0.458  0.00  0.00    +0.046 C 
ATOM     27  C   LIG    1       -4.011   1.609  -0.637  0.00  0.00    +0.087 C 
ATOM     28  C   LIG    1       -4.625   1.836  -2.025  0.00  0.00    +0.046 C 
BRANCH  27  29
ATOM     29  O   LIG    1       -2.813   2.417  -0.638  0.00  0.00    -0.384 OA
ATOM     30  H   LIG    1       -2.272   2.125  -1.393  0.00  0.00    +0.211 HD
ENDBRANCH  27  29
ENDBRANCH   1  27
BRANCH   2  31
ATOM     31  C   LIG    1       -5.912  -0.840  -1.082  0.00  0.00    +0.191 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -6.705  -2.014  -0.942  0.00  0.00    -0.390 OA
ATOM     33  H   LIG    1       -7.571  -1.821  -1.338  0.00  0.00    +0.210 HD
ENDBRANCH  31  32
ENDBRANCH   2  31
TORSDOF 7