REMARK  Name = BDB054825
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.074   0.774   0.357  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.269   1.470   1.545  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.503   2.518   1.865  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.269   1.080   2.430  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.098   0.001   2.110  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.944  -0.682   0.892  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.915  -0.293   0.021  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        0.564   1.569  -1.710  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.956   1.190  -0.609  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        2.297   1.078  -0.262  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1        3.316   1.441  -1.250  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        4.387   0.347  -1.412  0.00  0.00    +0.124 C 
ATOM     13  N   LIG    1        5.004  -0.023  -0.119  0.00  0.00    -0.326 N 
ATOM     14  C   LIG    1        4.323   0.439   1.101  0.00  0.00    +0.124 C 
ATOM     15  C   LIG    1        2.790   0.390   0.939  0.00  0.00    +0.127 C 
BRANCH  13  16
ATOM     16  C   LIG    1        6.307  -0.499  -0.094  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        6.892  -1.170  -1.177  0.00  0.00    +0.133 A 
ATOM     18  N   LIG    1        8.157  -1.666  -1.227  0.00  0.00    -0.261 NA
ATOM     19  C   LIG    1        8.907  -1.499  -0.124  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1        8.449  -0.865   1.015  0.00  0.00    +0.021 A 
ATOM     21  C   LIG    1        7.142  -0.368   1.022  0.00  0.00    +0.026 A 
ENDBRANCH  13  16
ENDBRANCH   1   9
BRANCH   6  22
ATOM     22  C   LIG    1       -2.852  -1.836   0.528  0.00  0.00    +0.094 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.336  -1.521   0.673  0.00  0.00    +0.087 A 
ATOM     24  C   LIG    1       -4.986  -0.574  -0.300  0.00  0.00    +0.059 A 
ATOM     25  N   LIG    1       -4.279   0.025  -1.331  0.00  0.00    -0.342 N 
ATOM     26  H   LIG    1       -3.388  -0.390  -1.583  0.00  0.00    +0.146 HD
ATOM     27  C   LIG    1       -4.960   0.737  -2.403  0.00  0.00    +0.102 C 
ATOM     28  C   LIG    1       -6.130   1.524  -1.821  0.00  0.00    +0.023 C 
ATOM     29  C   LIG    1       -7.053   0.620  -0.992  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1       -6.291  -0.328  -0.107  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1       -7.024  -0.988   0.995  0.00  0.00    +0.270 A 
ATOM     32  O   LIG    1       -8.222  -0.799   1.179  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -6.288  -1.824   1.792  0.00  0.00    -0.243 N 
ATOM     34  H   LIG    1       -6.775  -2.286   2.552  0.00  0.00    +0.192 HD
ATOM     35  N   LIG    1       -4.963  -2.102   1.654  0.00  0.00    -0.174 NA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 4