REMARK  Name = BDB038488
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.520  -0.817   0.500  0.00  0.00    +0.007 A 
ATOM      2  C   LIG    1       -0.308  -0.559  -0.152  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        0.869  -0.482   0.586  0.00  0.00    +0.130 A 
ATOM      4  N   LIG    1        0.874  -0.637   1.927  0.00  0.00    -0.220 NA
ATOM      5  C   LIG    1       -0.310  -0.863   2.533  0.00  0.00    +0.132 A 
ATOM      6 CL   LIG    1       -0.206  -1.052   4.235  0.00  0.00    -0.062 Cl
ATOM      7  C   LIG    1       -1.519  -0.974   1.881  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1        2.116  -0.244  -0.021  0.00  0.00    -0.248 N 
ATOM      9  C   LIG    1        2.395  -0.140  -1.376  0.00  0.00    +0.253 C 
ATOM     10  O   LIG    1        1.671  -0.245  -2.349  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        3.836   0.123  -1.486  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1        4.595   0.313  -2.625  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        5.960   0.546  -2.457  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        6.527   0.581  -1.168  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        5.742   0.384  -0.016  0.00  0.00    +0.060 A 
ATOM     16  C   LIG    1        4.381   0.154  -0.205  0.00  0.00    -0.006 A 
ATOM     17  C   LIG    1        3.303  -0.089   0.805  0.00  0.00    +0.151 C 
BRANCH  15  18
ATOM     18  C   LIG    1        6.340   0.418   1.365  0.00  0.00    +0.418 C 
ATOM     19  F   LIG    1        7.682   0.642   1.373  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        5.791   1.391   2.141  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        6.150  -0.750   2.037  0.00  0.00    -0.166 F 
ENDBRANCH  15  18
ENDBRANCH   3   8
BRANCH   1  23
ATOM     22  C   LIG    1       -3.925  -0.147  -0.220  0.00  0.00    +0.064 A 
ATOM     23  C   LIG    1       -2.767  -0.913  -0.258  0.00  0.00    +0.079 A 
ATOM     24  N   LIG    1       -3.010  -1.870  -1.222  0.00  0.00    -0.266 N 
ATOM     25  C   LIG    1       -2.132  -2.939  -1.647  0.00  0.00    +0.173 C 
ATOM     26  N   LIG    1       -4.226  -1.768  -1.794  0.00  0.00    -0.179 NA
ATOM     27  C   LIG    1       -4.775  -0.719  -1.183  0.00  0.00    +0.146 A 
BRANCH  22  30
ATOM     28  C   LIG    1       -6.502   1.810   0.013  0.00  0.00    +0.152 C 
ATOM     29  N   LIG    1       -5.288   1.889   0.775  0.00  0.00    -0.316 N 
ATOM     30  C   LIG    1       -4.177   1.087   0.702  0.00  0.00    +0.167 A 
ATOM     31  N   LIG    1       -3.297   1.533   1.579  0.00  0.00    -0.129 NA
ATOM     32  N   LIG    1       -3.832   2.616   2.231  0.00  0.00    -0.138 NA
ATOM     33  C   LIG    1       -5.027   2.820   1.735  0.00  0.00    +0.225 A 
ENDBRANCH  22  30
ENDBRANCH   1  23
TORSDOF 4