REMARK  Name = BDB042446
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.626   2.321   0.142  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.020   2.927  -0.087  0.00  0.00    +0.054 C 
BRANCH   2  10
ATOM      3  C   LIG    1       -3.247  -2.140   1.234  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -4.458  -1.457   0.655  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1       -4.432  -0.111   0.222  0.00  0.00    -0.005 A 
ATOM      6  C   LIG    1       -5.601   0.463  -0.316  0.00  0.00    +0.082 A 
ATOM      7  C   LIG    1       -5.567   1.872  -0.774  0.00  0.00    +0.259 A 
ATOM      8  N   LIG    1       -4.363   2.528  -0.643  0.00  0.00    -0.326 N 
ATOM      9  H   LIG    1       -4.375   3.489  -0.966  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -3.210   1.989  -0.121  0.00  0.00    +0.020 A 
ATOM     11  O   LIG    1       -6.537   2.449  -1.250  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1       -6.772  -0.286  -0.415  0.00  0.00    +0.136 A 
ATOM     13  F   LIG    1       -7.900   0.231  -0.920  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -6.801  -1.609   0.013  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -3.217   0.717   0.311  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1       -5.652  -2.191   0.544  0.00  0.00    +0.007 A 
ENDBRANCH   2  10
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -0.143   1.490  -1.059  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.152   0.818  -0.909  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1        2.261   1.718  -0.592  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1        3.607   0.990  -0.760  0.00  0.00    +0.052 C 
ATOM     21  C   LIG    1        3.621  -0.379  -0.118  0.00  0.00    -0.024 C 
ATOM     22  C   LIG    1        2.453  -0.946   0.245  0.00  0.00    -0.006 C 
ATOM     23  C   LIG    1        1.109  -0.316   0.020  0.00  0.00    +0.112 C 
BRANCH  21  24
ATOM     24  C   LIG    1        4.917  -1.058   0.117  0.00  0.00    +0.067 A 
ATOM     25  N   LIG    1        4.909  -2.078   1.014  0.00  0.00    -0.254 NA
ATOM     26  C   LIG    1        6.075  -2.721   1.265  0.00  0.00    +0.130 A 
ATOM     27  C   LIG    1        7.278  -2.398   0.661  0.00  0.00    +0.070 A 
ATOM     28  C   LIG    1        7.281  -1.352  -0.257  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1        6.090  -0.675  -0.531  0.00  0.00    +0.029 A 
BRANCH  27  30
ATOM     30  C   LIG    1        8.468  -3.120   0.976  0.00  0.00    +0.101 C 
ATOM     31  N   LIG    1        9.437  -3.705   1.232  0.00  0.00    -0.191 NA
ENDBRANCH  27  30
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6