REMARK  Name = BDB029882
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.964   0.378  -0.579  0.00  0.00    +0.003 A 
ATOM      2  C   LIG    1        1.707  -0.247  -0.615  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1        0.547   0.476  -0.931  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1        0.658   1.837  -1.219  0.00  0.00    +0.138 A 
ATOM      5  F   LIG    1       -0.435   2.562  -1.510  0.00  0.00    -0.204 F 
ATOM      6  C   LIG    1        1.898   2.484  -1.205  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1        1.985   3.953  -1.491  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1        3.046   1.747  -0.874  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  11
ATOM      9  N   LIG    1        6.154  -1.054   0.300  0.00  0.00    -0.334 N 
ATOM     10  C   LIG    1        5.408   0.062   0.033  0.00  0.00    +0.115 A 
ATOM     11  C   LIG    1        4.141  -0.410  -0.242  0.00  0.00    +0.089 A 
ATOM     12  N   LIG    1        4.119  -1.784  -0.147  0.00  0.00    -0.236 NA
ATOM     13  C   LIG    1        5.342  -2.141   0.171  0.00  0.00    +0.200 A 
BRANCH   9  14
ATOM     14  C   LIG    1        7.556  -1.082   0.649  0.00  0.00    +0.150 C 
BRANCH  14  15
ATOM     15  C   LIG    1        7.777  -1.042   2.158  0.00  0.00    +0.181 C 
BRANCH  15  17
ATOM     16  C   LIG    1        9.851   0.090   2.437  0.00  0.00    +0.194 C 
ATOM     17  O   LIG    1        9.164  -1.155   2.481  0.00  0.00    -0.381 OA
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH   9  14
ENDBRANCH   1  11
BRANCH   3  18
ATOM     18  C   LIG    1       -0.756  -0.241  -0.939  0.00  0.00    +0.262 C 
ATOM     19  N   LIG    1       -1.878   0.465  -1.338  0.00  0.00    -0.228 N 
ATOM     20  H   LIG    1       -1.878   1.488  -1.338  0.00  0.00    +0.171 HD
ATOM     21  O   LIG    1       -0.835  -1.419  -0.593  0.00  0.00    -0.269 OA
BRANCH  19  22
ATOM     22  N   LIG    1       -3.225  -0.187  -1.001  0.00  0.00    -0.112 NA
ATOM     23  H   LIG    1       -3.060  -1.137  -0.626  0.00  0.00    +0.171 HD
BRANCH  22  24
ATOM     24  S   LIG    1       -4.159   0.710   0.110  0.00  0.00    +0.045 S 
ATOM     25  O   LIG    1       -3.990   0.097   1.407  0.00  0.00    -0.157 OA
ATOM     26  O   LIG    1       -3.840   2.107  -0.108  0.00  0.00    -0.157 OA
BRANCH  24  27
ATOM     27  C   LIG    1       -5.819   0.407  -0.498  0.00  0.00    +0.190 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -6.260  -1.065  -0.442  0.00  0.00    +0.016 C 
ATOM     29  C   LIG    1       -7.351  -1.344  -1.491  0.00  0.00    +0.033 C 
ATOM     30  C   LIG    1       -8.696  -0.756  -1.081  0.00  0.00    +0.160 C 
ATOM     31  O   LIG    1       -9.094  -1.262   0.190  0.00  0.00    -0.380 OA
ATOM     32  C   LIG    1       -8.180  -0.920   1.228  0.00  0.00    +0.160 C 
ATOM     33  C   LIG    1       -6.791  -1.483   0.941  0.00  0.00    +0.033 C 
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  22  24
ENDBRANCH  19  22
ENDBRANCH   3  18
TORSDOF 9