REMARK  Name = BDB019742
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.276  -0.912  -0.022  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1        2.570  -1.038   0.509  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        3.429  -2.066   0.081  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1        2.975  -2.942  -0.906  0.00  0.00    +0.163 A 
ATOM      5  F   LIG    1        3.777  -3.920  -1.352  0.00  0.00    -0.202 F 
ATOM      6  C   LIG    1        1.699  -2.807  -1.444  0.00  0.00    +0.159 A 
ATOM      7  F   LIG    1        1.282  -3.651  -2.398  0.00  0.00    -0.202 F 
ATOM      8  C   LIG    1        0.843  -1.800  -1.013  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   1  11
ATOM      9  N   LIG    1       -0.949  -0.051   0.451  0.00  0.00    -0.305 N 
ATOM     10  H   LIG    1       -1.290  -0.987   0.287  0.00  0.00    +0.150 HD
ATOM     11  C   LIG    1        0.407   0.193   0.465  0.00  0.00    +0.245 C 
ATOM     12  O   LIG    1        0.903   1.238   0.865  0.00  0.00    -0.270 OA
BRANCH   9  13
ATOM     13  C   LIG    1       -1.901   0.916   0.973  0.00  0.00    +0.101 C 
ATOM     14  C   LIG    1       -1.950   0.877   2.503  0.00  0.00    +0.033 C 
BRANCH  13  17
ATOM     15  C   LIG    1       -5.323  -0.588   0.088  0.00  0.00    +0.124 A 
ATOM     16  C   LIG    1       -4.098  -0.365   0.722  0.00  0.00    +0.051 A 
ATOM     17  C   LIG    1       -3.251   0.680   0.321  0.00  0.00    -0.021 A 
ATOM     18  C   LIG    1       -3.651   1.492  -0.756  0.00  0.00    +0.051 A 
ATOM     19  C   LIG    1       -4.874   1.278  -1.395  0.00  0.00    +0.124 A 
ATOM     20  C   LIG    1       -5.705   0.238  -0.967  0.00  0.00    +0.091 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -7.310  -1.889  -0.002  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -6.040  -1.640   0.589  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
BRANCH  19  23
ATOM     23  O   LIG    1       -5.367   2.004  -2.446  0.00  0.00    -0.495 OA
ATOM     24  C   LIG    1       -4.571   3.086  -2.913  0.00  0.00    +0.277 C 
ENDBRANCH  19  23
ENDBRANCH  13  17
ENDBRANCH   9  13
ENDBRANCH   1  11
BRANCH   3  25
ATOM     25  C   LIG    1        4.819  -2.203   0.644  0.00  0.00    +0.142 C 
BRANCH  25  26
ATOM     26  N   LIG    1        5.738  -1.305  -0.029  0.00  0.00    -0.313 N 
ATOM     27  H   LIG    1        5.718  -1.389  -1.037  0.00  0.00    +0.149 HD
BRANCH  26  28
ATOM     28  C   LIG    1        5.932  -0.041   0.406  0.00  0.00    +0.176 C 
ATOM     29  N   LIG    1        6.625   0.739  -0.464  0.00  0.00    -0.316 N 
ATOM     30  H   LIG    1        7.410   0.266  -0.895  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1        6.969   1.955   0.246  0.00  0.00    +0.127 C 
ATOM     32  C   LIG    1        6.023   1.889   1.448  0.00  0.00    +0.163 C 
ATOM     33  N   LIG    1        5.563   0.476   1.538  0.00  0.00    -0.255 NA
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8