REMARK  Name = BDB019726
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.756  -2.733   0.566  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        1.852  -1.859   0.631  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        2.979  -2.065  -0.186  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1        2.985  -3.154  -1.060  0.00  0.00    +0.128 A 
ATOM      5  F   LIG    1        4.043  -3.373  -1.853  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1        1.911  -4.036  -1.122  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        0.797  -3.829  -0.306  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  10
ATOM      8  N   LIG    1       -0.728  -1.270   1.836  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1       -0.256  -0.498   1.389  0.00  0.00    +0.149 HD
ATOM     10  C   LIG    1       -0.455  -2.555   1.417  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1       -1.162  -3.520   1.683  0.00  0.00    -0.270 OA
BRANCH   8  12
ATOM     12  C   LIG    1       -1.952  -0.954   2.539  0.00  0.00    +0.140 C 
BRANCH  12  16
ATOM     13  C   LIG    1       -4.828   0.700  -0.235  0.00  0.00    +0.162 A 
ATOM     14  C   LIG    1       -4.051   1.559   0.568  0.00  0.00    +0.162 A 
ATOM     15  C   LIG    1       -3.126   1.018   1.470  0.00  0.00    +0.054 A 
ATOM     16  C   LIG    1       -2.971  -0.371   1.592  0.00  0.00    -0.027 A 
ATOM     17  C   LIG    1       -3.745  -1.214   0.787  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1       -4.667  -0.684  -0.118  0.00  0.00    +0.050 A 
BRANCH  13  20
ATOM     19  C   LIG    1       -6.529   0.472  -1.897  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1       -5.706   1.309  -1.097  0.00  0.00    -0.491 OA
ENDBRANCH  13  20
BRANCH  14  21
ATOM     21  O   LIG    1       -4.261   2.905   0.389  0.00  0.00    -0.491 OA
ATOM     22  C   LIG    1       -3.607   3.800   1.276  0.00  0.00    +0.277 C 
ENDBRANCH  14  21
ENDBRANCH  12  16
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   3  23
ATOM     23  C   LIG    1        4.147  -1.115  -0.135  0.00  0.00    +0.142 C 
BRANCH  23  24
ATOM     24  N   LIG    1        3.869   0.047  -0.957  0.00  0.00    -0.313 N 
ATOM     25  H   LIG    1        2.893   0.307  -1.007  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1        4.701   1.109  -0.932  0.00  0.00    +0.176 C 
ATOM     27  N   LIG    1        4.246   2.180  -1.633  0.00  0.00    -0.316 N 
ATOM     28  H   LIG    1        3.825   1.924  -2.518  0.00  0.00    +0.149 HD
ATOM     29  C   LIG    1        5.356   3.106  -1.743  0.00  0.00    +0.127 C 
ATOM     30  C   LIG    1        6.301   2.586  -0.656  0.00  0.00    +0.163 C 
ATOM     31  N   LIG    1        5.857   1.199  -0.347  0.00  0.00    -0.255 NA
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 8