REMARK  Name = BDB042623
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.437  -2.367   0.159  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -1.046  -2.117  -0.983  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        0.261  -2.375  -1.379  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1        0.904  -1.755  -2.540  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1        1.657  -0.485  -2.111  0.00  0.00    +0.127 C 
ATOM      6  N   LIG    1        2.554  -0.716  -0.964  0.00  0.00    -0.296 N 
ATOM      7  C   LIG    1        3.651   0.131  -0.844  0.00  0.00    +0.245 C 
ATOM      8  O   LIG    1        3.892   0.981  -1.712  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1        1.971  -1.490   0.149  0.00  0.00    +0.127 C 
ATOM     10  C   LIG    1        1.226  -2.743  -0.343  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        4.579   0.056   0.389  0.00  0.00    +0.204 C 
ATOM     12  O   LIG    1        4.962  -1.239   0.861  0.00  0.00    -0.367 OA
ATOM     13  C   LIG    1        5.071  -1.187   2.293  0.00  0.00    +0.161 C 
ATOM     14  C   LIG    1        4.872   0.255   2.708  0.00  0.00    +0.031 C 
ATOM     15  C   LIG    1        4.022   0.803   1.589  0.00  0.00    +0.043 C 
ENDBRANCH   7  11
BRANCH   2  16
ATOM     16  C   LIG    1       -1.984  -1.524  -2.025  0.00  0.00    +0.102 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.392  -1.251  -1.483  0.00  0.00    +0.062 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.467   0.005  -0.643  0.00  0.00    +0.020 A 
ATOM     19  N   LIG    1       -2.863  -0.035   0.595  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1       -2.394  -0.895   0.891  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1       -2.814   1.009   1.491  0.00  0.00    +0.257 A 
ATOM     22  O   LIG    1       -2.234   0.925   2.567  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1       -3.499   2.257   1.075  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1       -4.130   2.298  -0.179  0.00  0.00    -0.011 A 
ATOM     25  C   LIG    1       -4.780   3.472  -0.580  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1       -4.795   4.583   0.267  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1       -4.163   4.520   1.506  0.00  0.00    +0.124 A 
ATOM     28  F   LIG    1       -4.184   5.592   2.308  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -3.513   3.367   1.923  0.00  0.00    +0.052 A 
ATOM     30  C   LIG    1       -4.096   1.119  -1.049  0.00  0.00    +0.030 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 4