REMARK  Name = BDB017040
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.423   0.129  -0.489  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        0.719  -0.102  -1.652  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1       -0.522  -0.322  -1.284  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1       -0.663  -0.252   0.072  0.00  0.00    -0.329 N 
ATOM      5  C   LIG    1        0.574   0.031   0.597  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.870  -0.459   0.854  0.00  0.00    +0.119 C 
ATOM      7  C   LIG    1       -3.088   0.181   0.249  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1       -3.944  -0.788  -0.288  0.00  0.00    -0.007 A 
ATOM      9  C   LIG    1       -5.117  -0.418  -0.915  0.00  0.00    +0.127 A 
ATOM     10  C   LIG    1       -5.453   0.930  -0.997  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1       -4.598   1.903  -0.456  0.00  0.00    +0.003 A 
ATOM     12  F   LIG    1       -5.926  -1.343  -1.444  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -3.377  -2.162  -0.138  0.00  0.00    +0.041 C 
ATOM     14  C   LIG    1       -3.404   1.531   0.171  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1       -2.303  -1.939   0.940  0.00  0.00    +0.034 C 
ENDBRANCH   4   6
BRANCH   1  18
ATOM     16  C   LIG    1        4.968   0.513   0.654  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1        3.607   0.209   0.696  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1        2.850   0.431  -0.445  0.00  0.00    +0.091 A 
ATOM     19  N   LIG    1        3.396   0.938  -1.580  0.00  0.00    -0.253 NA
ATOM     20  C   LIG    1        4.707   1.250  -1.581  0.00  0.00    +0.112 A 
ATOM     21  C   LIG    1        5.536   1.060  -0.494  0.00  0.00    +0.035 A 
BRANCH  16  23
ATOM     22  O   LIG    1        5.353   0.499   2.991  0.00  0.00    -0.245 OA
ATOM     23  C   LIG    1        5.771   0.275   1.869  0.00  0.00    +0.337 C 
BRANCH  23  24
ATOM     24  O   LIG    1        6.984  -0.254   1.610  0.00  0.00    -0.477 OA
ATOM     25  H   LIG    1        7.117  -0.555   0.692  0.00  0.00    +0.295 HD
ENDBRANCH  23  24
ENDBRANCH  16  23
ENDBRANCH   1  18
TORSDOF 4