REMARK  Name = BDB042653
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.452   0.782  -0.934  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.092   0.850   0.458  0.00  0.00    +0.054 C 
BRANCH   2  11
ATOM      3  O   LIG    1        4.801  -3.037   0.338  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1        4.770  -1.814   0.403  0.00  0.00    +0.258 A 
ATOM      5  C   LIG    1        6.006  -1.011   0.489  0.00  0.00    +0.065 A 
ATOM      6  C   LIG    1        5.902   0.373   0.561  0.00  0.00    +0.078 A 
ATOM      7  N   LIG    1        6.976   1.195   0.642  0.00  0.00    -0.255 NA
ATOM      8  C   LIG    1        8.193   0.601   0.651  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1        8.388  -0.772   0.583  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        4.591   1.014   0.551  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1        3.482   0.263   0.464  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1        7.270  -1.597   0.500  0.00  0.00    +0.017 A 
ATOM     13  N   LIG    1        3.584  -1.110   0.398  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1        2.744  -1.676   0.350  0.00  0.00    +0.169 HD
ENDBRANCH   2  11
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        0.067   1.442  -0.979  0.00  0.00    +0.085 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -0.898   0.829  -0.057  0.00  0.00    -0.299 NA
ATOM     17  C   LIG    1       -2.030   1.749   0.194  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -3.296   1.056   0.750  0.00  0.00    +0.120 C 
ATOM     19  N   LIG    1       -3.798   0.053  -0.203  0.00  0.00    -0.327 N 
ATOM     20  C   LIG    1       -2.807  -0.527  -1.122  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -1.384  -0.494  -0.510  0.00  0.00    +0.103 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -5.132  -0.314  -0.239  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1       -5.990  -0.092   0.854  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1       -7.341  -0.461   0.824  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1       -7.858  -1.063  -0.310  0.00  0.00    +0.124 A 
ATOM     26  F   LIG    1       -9.149  -1.417  -0.344  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1       -7.051  -1.302  -1.409  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1       -5.702  -0.930  -1.369  0.00  0.00    +0.026 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5