REMARK  Name = BDB042468
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.696  -1.274   0.130  0.00  0.00    +0.054 C 
ENDROOT
BRANCH   1  11
ATOM      2  O   LIG    1       -6.061  -2.091  -1.512  0.00  0.00    -0.267 OA
ATOM      3  C   LIG    1       -5.345  -1.358  -0.840  0.00  0.00    +0.257 A 
ATOM      4  C   LIG    1       -5.879  -0.154  -0.159  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -5.001   0.639   0.598  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1       -5.494   1.777   1.247  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -6.846   2.111   1.135  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1       -7.698   1.310   0.379  0.00  0.00    +0.124 A 
ATOM      9  F   LIG    1       -8.992   1.641   0.280  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -3.588   0.266   0.698  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -3.136  -0.827   0.061  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -7.231   0.177  -0.272  0.00  0.00    +0.052 A 
ATOM     13  N   LIG    1       -4.000  -1.607  -0.675  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1       -3.658  -2.438  -1.143  0.00  0.00    +0.169 HD
ENDBRANCH   1  11
BRANCH   1  15
ATOM     15  C   LIG    1       -0.952  -1.010  -1.185  0.00  0.00    +0.021 C 
BRANCH  15  16
ATOM     16  C   LIG    1        0.504  -1.497  -1.148  0.00  0.00    +0.085 C 
BRANCH  16  17
ATOM     17  N   LIG    1        1.302  -0.863  -0.093  0.00  0.00    -0.299 NA
ATOM     18  C   LIG    1        2.526  -1.648   0.182  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1        3.583  -0.894   1.021  0.00  0.00    +0.123 C 
ATOM     20  N   LIG    1        3.978   0.350   0.362  0.00  0.00    -0.297 N 
ATOM     21  C   LIG    1        3.110   0.869  -0.690  0.00  0.00    +0.123 C 
ATOM     22  C   LIG    1        1.627   0.556  -0.376  0.00  0.00    +0.103 C 
BRANCH  20  23
ATOM     23  C   LIG    1        5.309   0.705   0.347  0.00  0.00    +0.218 A 
ATOM     24  N   LIG    1        5.722   1.631  -0.537  0.00  0.00    -0.223 NA
ATOM     25  C   LIG    1        7.023   1.980  -0.520  0.00  0.00    +0.116 A 
ATOM     26  C   LIG    1        7.940   1.444   0.344  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        7.437   0.510   1.210  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1        6.146   0.130   1.229  0.00  0.00    -0.223 NA
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5