REMARK  Name = BDB051803
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.549  -0.893   2.825  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.507  -0.366   4.108  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.621   0.051   4.724  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.713  -0.230   4.760  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.895  -0.610   4.114  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.870  -1.144   2.811  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.626  -1.316   2.187  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        2.623  -1.858   2.477  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.831  -0.996   2.111  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        2.033  -0.151   1.019  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1        3.224  -0.349   0.192  0.00  0.00    +0.110 C 
ATOM     12  C   LIG    1        2.934   0.006  -1.263  0.00  0.00    +0.050 C 
ATOM     13  C   LIG    1        2.524   1.481  -1.398  0.00  0.00    +0.100 C 
ATOM     14  C   LIG    1        3.745   2.335  -1.732  0.00  0.00    +0.234 C 
ATOM     15  O   LIG    1        4.803   2.396  -1.131  0.00  0.00    -0.274 OA
ATOM     16  N   LIG    1        3.413   3.075  -2.838  0.00  0.00    -0.301 N 
ATOM     17  H   LIG    1        4.044   3.774  -3.204  0.00  0.00    +0.150 HD
ATOM     18  C   LIG    1        2.073   2.884  -3.248  0.00  0.00    +0.189 C 
ATOM     19  N   LIG    1        1.672   1.644  -2.606  0.00  0.00    -0.288 NA
ATOM     20  H   LIG    1        0.684   1.680  -2.368  0.00  0.00    +0.124 HD
ATOM     21  C   LIG    1        1.855   2.041  -0.130  0.00  0.00    +0.050 C 
ATOM     22  C   LIG    1        1.140   0.952   0.656  0.00  0.00    +0.110 C 
ENDBRANCH   1   9
BRANCH   6  23
ATOM     23  C   LIG    1       -3.190  -1.507   2.153  0.00  0.00    +0.090 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.146  -1.839   0.679  0.00  0.00    +0.046 A 
ATOM     25  N   LIG    1       -2.911  -0.868  -0.329  0.00  0.00    -0.296 N 
ATOM     26  C   LIG    1       -2.809  -1.263  -1.665  0.00  0.00    +0.114 A 
ATOM     27  C   LIG    1       -2.481  -0.173  -2.447  0.00  0.00    +0.054 A 
ATOM     28  C   LIG    1       -2.411   0.940  -1.595  0.00  0.00    +0.078 A 
ATOM     29 CL   LIG    1       -2.019   2.513  -2.106  0.00  0.00    -0.080 Cl
ATOM     30  C   LIG    1       -3.011  -2.635  -2.064  0.00  0.00    +0.273 A 
ATOM     31  O   LIG    1       -2.961  -3.037  -3.221  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -3.270  -3.496  -1.019  0.00  0.00    -0.326 N 
ATOM     33  H   LIG    1       -3.402  -4.466  -1.284  0.00  0.00    +0.168 HD
ATOM     34  C   LIG    1       -2.717   0.505  -0.327  0.00  0.00    +0.133 A 
ATOM     35 CL   LIG    1       -2.857   1.470   1.077  0.00  0.00    -0.062 Cl
ATOM     36  C   LIG    1       -3.325  -3.123   0.300  0.00  0.00    +0.108 A 
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 3