REMARK  Name = BDB019573
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.409   0.838  -0.842  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -1.358   1.710  -0.422  0.00  0.00    -0.242 NA
ATOM      3  C   LIG    1       -2.601   1.234  -0.186  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -2.932  -0.104  -0.406  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -1.952  -1.000  -0.848  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -0.662  -0.510  -1.072  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.579   2.239   0.265  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1       -4.379   2.099   1.419  0.00  0.00    +0.053 A 
ATOM      9 CL   LIG    1       -4.256   0.731   2.476  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -5.297   3.091   1.785  0.00  0.00    +0.059 A 
ATOM     11  C   LIG    1       -5.417   4.235   1.011  0.00  0.00    +0.125 A 
ATOM     12  F   LIG    1       -6.296   5.182   1.365  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -4.635   4.417  -0.119  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -3.721   3.427  -0.485  0.00  0.00    +0.014 A 
ENDBRANCH   3   7
BRANCH   1  17
ATOM     15  N   LIG    1        2.016   0.565  -0.830  0.00  0.00    -0.302 N 
ATOM     16  H   LIG    1        1.886  -0.327  -0.361  0.00  0.00    +0.150 HD
ATOM     17  C   LIG    1        0.959   1.415  -1.070  0.00  0.00    +0.263 C 
ATOM     18  O   LIG    1        1.111   2.574  -1.442  0.00  0.00    -0.269 OA
BRANCH  15  20
ATOM     19  C   LIG    1        3.858   1.023  -2.386  0.00  0.00    +0.034 C 
ATOM     20  C   LIG    1        3.409   0.983  -0.927  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.277   0.016  -0.129  0.00  0.00    +0.061 A 
ATOM     22  N   LIG    1        3.758  -1.221   0.123  0.00  0.00    -0.258 NA
ATOM     23  C   LIG    1        4.520  -2.081   0.833  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1        5.785  -1.776   1.306  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        6.302  -0.513   1.039  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        5.542   0.399   0.312  0.00  0.00    +0.025 A 
ENDBRANCH  20  21
ENDBRANCH  15  20
ENDBRANCH   1  17
BRANCH   5  27
ATOM     27  C   LIG    1       -2.278  -2.455  -1.064  0.00  0.00    +0.158 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -1.657  -3.293  -0.053  0.00  0.00    -0.332 N 
ATOM     29  C   LIG    1       -0.594  -4.127  -0.250  0.00  0.00    +0.199 A 
ATOM     30  N   LIG    1       -0.273  -4.764   0.854  0.00  0.00    -0.244 NA
ATOM     31  C   LIG    1       -1.170  -4.329   1.795  0.00  0.00    +0.130 A 
ATOM     32  C   LIG    1       -2.047  -3.420   1.252  0.00  0.00    +0.107 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 6