REMARK  Name = BDB019886
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.520   0.427   1.201  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1        0.727   0.194   0.614  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.845  -0.705  -0.453  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -0.281  -1.402  -0.913  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.536  -1.181  -0.328  0.00  0.00    -0.029 A 
ATOM      6  C   LIG    1       -1.646  -0.252   0.720  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1       -1.295   3.072   3.494  0.00  0.00    -0.271 N 
ATOM      8  N   LIG    1       -0.445   2.427   4.312  0.00  0.00    -0.167 NA
ATOM      9  C   LIG    1       -0.034   1.358   3.597  0.00  0.00    +0.173 A 
ATOM     10  C   LIG    1       -0.646   1.350   2.308  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1       -1.459   2.462   2.287  0.00  0.00    +0.117 A 
BRANCH   9  12
ATOM     12  C   LIG    1        0.928   0.335   4.139  0.00  0.00    +0.437 C 
ATOM     13  F   LIG    1        1.101   0.412   5.486  0.00  0.00    -0.164 F 
ATOM     14  F   LIG    1        0.514  -0.938   3.882  0.00  0.00    -0.164 F 
ATOM     15  F   LIG    1        2.163   0.458   3.581  0.00  0.00    -0.164 F 
ENDBRANCH   9  12
BRANCH   7  17
ATOM     16  C   LIG    1       -1.056   5.512   3.739  0.00  0.00    +0.029 C 
ATOM     17  C   LIG    1       -1.938   4.293   3.942  0.00  0.00    +0.140 C 
ENDBRANCH   7  17
ENDBRANCH   1  10
BRANCH   3  18
ATOM     18  C   LIG    1        2.190  -0.913  -1.052  0.00  0.00    +0.244 C 
ATOM     19  N   LIG    1        2.221  -1.198  -2.402  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1        1.371  -1.131  -2.944  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1        3.195  -0.795  -0.362  0.00  0.00    -0.270 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.470  -1.380  -3.115  0.00  0.00    +0.110 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.985  -0.132  -3.822  0.00  0.00    +0.034 C 
ATOM     24  C   LIG    1        4.292   1.063  -2.936  0.00  0.00    +0.165 C 
ATOM     25  O   LIG    1        4.327   2.203  -3.816  0.00  0.00    -0.379 OA
ATOM     26  C   LIG    1        3.681   1.848  -5.047  0.00  0.00    +0.160 C 
ATOM     27  C   LIG    1        3.047   0.487  -4.838  0.00  0.00    +0.035 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   3  18
BRANCH   5  28
ATOM     28  C   LIG    1       -2.757  -1.942  -0.796  0.00  0.00    +0.144 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -3.301  -2.770   0.263  0.00  0.00    -0.278 N 
ATOM     30  C   LIG    1       -4.577  -3.237   0.186  0.00  0.00    +0.278 C 
ATOM     31  N   LIG    1       -5.553  -2.817  -0.523  0.00  0.00    -0.253 NA
ATOM     32  H   LIG    1       -6.345  -3.434  -0.307  0.00  0.00    +0.191 HD
ATOM     33  O   LIG    1       -4.755  -4.325   0.981  0.00  0.00    -0.464 OA
ATOM     34  C   LIG    1       -3.523  -4.540   1.690  0.00  0.00    +0.251 C 
ATOM     35  C   LIG    1       -2.475  -3.768   0.905  0.00  0.00    +0.151 C 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 8