REMARK  Name = BDB017039
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.419  -0.511   0.193  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        1.484  -1.745   0.808  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        0.248  -2.191   0.829  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1       -0.618  -1.302   0.256  0.00  0.00    -0.329 N 
ATOM      5  C   LIG    1        0.116  -0.225  -0.158  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -2.046  -1.508   0.113  0.00  0.00    +0.119 C 
ATOM      7  C   LIG    1       -2.888  -0.384   0.656  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1       -3.989  -0.153  -0.184  0.00  0.00    -0.042 A 
ATOM      9  C   LIG    1       -4.944   0.803   0.125  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -4.782   1.543   1.298  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1       -3.687   1.305   2.135  0.00  0.00    +0.124 A 
ATOM     12  F   LIG    1       -3.560   2.019   3.261  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -3.980  -1.090  -1.353  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -2.734   0.337   1.832  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1       -2.522  -1.569  -1.354  0.00  0.00    +0.034 C 
ENDBRANCH   4   6
BRANCH   1  18
ATOM     16  C   LIG    1        4.906   0.813   0.130  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1        3.833  -0.043   0.377  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1        2.571   0.349  -0.044  0.00  0.00    +0.091 A 
ATOM     19  N   LIG    1        2.341   1.526  -0.685  0.00  0.00    -0.253 NA
ATOM     20  C   LIG    1        3.399   2.333  -0.908  0.00  0.00    +0.112 A 
ATOM     21  C   LIG    1        4.690   2.025  -0.524  0.00  0.00    +0.035 A 
BRANCH  16  23
ATOM     22  O   LIG    1        7.268   1.178   0.357  0.00  0.00    -0.245 OA
ATOM     23  C   LIG    1        6.288   0.481   0.542  0.00  0.00    +0.337 C 
BRANCH  23  24
ATOM     24  O   LIG    1        6.377  -0.706   1.165  0.00  0.00    -0.477 OA
ATOM     25  H   LIG    1        7.329  -0.796   1.379  0.00  0.00    +0.295 HD
ENDBRANCH  23  24
ENDBRANCH  16  23
ENDBRANCH   1  18
TORSDOF 4