REMARK  Name = BDB042438
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.791   2.020  -0.134  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.196   0.926  -1.129  0.00  0.00    +0.054 C 
BRANCH   2  10
ATOM      3  C   LIG    1       -4.238  -3.017   0.758  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -5.115  -1.961   0.139  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1       -4.586  -0.789  -0.447  0.00  0.00    -0.005 A 
ATOM      6  C   LIG    1       -5.466   0.160  -1.009  0.00  0.00    +0.082 A 
ATOM      7  C   LIG    1       -4.908   1.390  -1.624  0.00  0.00    +0.259 A 
ATOM      8  N   LIG    1       -3.537   1.518  -1.596  0.00  0.00    -0.326 N 
ATOM      9  H   LIG    1       -3.184   2.367  -2.024  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -2.668   0.607  -1.048  0.00  0.00    +0.020 A 
ATOM     11  O   LIG    1       -5.601   2.261  -2.136  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1       -6.843  -0.057  -0.986  0.00  0.00    +0.136 A 
ATOM     13  F   LIG    1       -7.705   0.824  -1.510  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -7.364  -1.210  -0.410  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -3.139  -0.520  -0.493  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1       -6.508  -2.156   0.149  0.00  0.00    +0.007 A 
ENDBRANCH   2  10
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        0.715   2.326  -0.158  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.486   1.685   0.921  0.00  0.00    -0.299 NA
ATOM     19  C   LIG    1        1.511   0.206   0.819  0.00  0.00    +0.103 C 
ATOM     20  C   LIG    1        2.411  -0.469   1.885  0.00  0.00    +0.122 C 
ATOM     21  N   LIG    1        3.781   0.084   1.900  0.00  0.00    -0.313 N 
ATOM     22  C   LIG    1        3.765   1.557   2.009  0.00  0.00    +0.122 C 
ATOM     23  C   LIG    1        2.880   2.195   0.911  0.00  0.00    +0.103 C 
BRANCH  21  24
ATOM     24  C   LIG    1        4.646  -0.439   0.930  0.00  0.00    +0.121 A 
ATOM     25  N   LIG    1        4.165  -1.261  -0.030  0.00  0.00    -0.239 NA
ATOM     26  C   LIG    1        5.027  -1.772  -0.944  0.00  0.00    +0.131 A 
ATOM     27  C   LIG    1        6.384  -1.513  -0.955  0.00  0.00    +0.070 A 
ATOM     28  C   LIG    1        6.887  -0.683   0.038  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1        6.012  -0.150   0.987  0.00  0.00    +0.045 A 
BRANCH  27  30
ATOM     30  C   LIG    1        7.230  -2.089  -1.950  0.00  0.00    +0.101 C 
ATOM     31  N   LIG    1        7.915  -2.555  -2.763  0.00  0.00    -0.191 NA
ENDBRANCH  27  30
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6