REMARK  Name = BDB029871
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.142   1.327   0.298  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -0.641   2.022   1.198  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.330   2.254   2.143  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.326   0.870  -0.744  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        4.068   1.918   3.406  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1        3.487   1.384   2.131  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1        2.136   1.594   1.832  0.00  0.00    +0.138 A 
ATOM      8  F   LIG    1        1.382   2.254   2.726  0.00  0.00    -0.204 F 
ATOM      9  C   LIG    1        1.576   1.128   0.642  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1        2.394   0.443  -0.269  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        3.757   0.229  -0.004  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        4.292   0.710   1.201  0.00  0.00    +0.016 A 
BRANCH  11  13
ATOM     13  C   LIG    1        4.568  -0.484  -0.981  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        4.040  -1.041  -2.126  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        5.054  -1.588  -2.756  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        6.217  -1.410  -2.069  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1        7.513  -1.883  -2.479  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        5.929  -0.707  -0.932  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  N   LIG    1       -2.122   2.074   0.952  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -2.401   2.043  -0.034  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.103   1.171   1.995  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -2.489   1.268   3.306  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -4.463   1.609   1.783  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -2.881  -0.515   1.424  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.825  -1.068   0.347  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1       -3.779  -0.344  -1.010  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -5.068   0.395  -1.347  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -6.292  -0.520  -1.316  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -6.193  -1.654  -0.296  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -5.256  -1.312   0.857  0.00  0.00    +0.005 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6