REMARK  Name = BDB029805
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.429  -0.022   0.447  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1       -3.245  -0.157  -0.290  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1       -2.099  -0.727   0.290  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1       -2.152  -1.152   1.618  0.00  0.00    +0.154 A 
ATOM      5  F   LIG    1       -1.069  -1.693   2.199  0.00  0.00    -0.203 F 
ATOM      6  C   LIG    1       -3.328  -1.016   2.356  0.00  0.00    +0.077 A 
ATOM      7 CL   LIG    1       -3.395  -1.545   3.994  0.00  0.00    -0.081 Cl
ATOM      8  C   LIG    1       -4.466  -0.454   1.776  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  11
ATOM      9  C   LIG    1       -6.189   2.579   1.415  0.00  0.00    +0.068 C 
ATOM     10  C   LIG    1       -6.391   1.683   0.250  0.00  0.00    +0.068 A 
ATOM     11  C   LIG    1       -5.607   0.567  -0.156  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1       -6.227   0.096  -1.298  0.00  0.00    +0.041 A 
ATOM     13  C   LIG    1       -5.943  -1.040  -2.208  0.00  0.00    +0.065 C 
ATOM     14  N   LIG    1       -7.292   0.930  -1.506  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1       -7.976   0.897  -2.256  0.00  0.00    +0.189 HD
ATOM     16  N   LIG    1       -7.421   1.889  -0.579  0.00  0.00    -0.178 NA
ENDBRANCH   1  11
BRANCH   3  17
ATOM     17  C   LIG    1       -0.877  -0.851  -0.546  0.00  0.00    +0.262 C 
ATOM     18  N   LIG    1        0.253  -1.399   0.034  0.00  0.00    -0.228 N 
ATOM     19  H   LIG    1        0.348  -1.452   1.052  0.00  0.00    +0.171 HD
ATOM     20  O   LIG    1       -0.879  -0.470  -1.716  0.00  0.00    -0.269 OA
BRANCH  18  21
ATOM     21  N   LIG    1        1.566  -1.172  -0.727  0.00  0.00    -0.112 NA
ATOM     22  H   LIG    1        1.363  -0.775  -1.660  0.00  0.00    +0.171 HD
BRANCH  21  23
ATOM     23  S   LIG    1        2.653  -0.136   0.095  0.00  0.00    +0.045 S 
ATOM     24  O   LIG    1        2.427  -0.331   1.512  0.00  0.00    -0.157 OA
ATOM     25  O   LIG    1        2.530   1.163  -0.527  0.00  0.00    -0.157 OA
BRANCH  23  26
ATOM     26  C   LIG    1        4.214  -0.882  -0.370  0.00  0.00    +0.190 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.415  -0.245   0.347  0.00  0.00    +0.016 C 
ATOM     28  C   LIG    1        6.689  -1.086   0.137  0.00  0.00    +0.033 C 
ATOM     29  C   LIG    1        7.536  -0.534  -1.001  0.00  0.00    +0.160 C 
ATOM     30  O   LIG    1        7.971   0.804  -0.769  0.00  0.00    -0.380 OA
ATOM     31  C   LIG    1        7.111   1.596   0.051  0.00  0.00    +0.160 C 
ATOM     32  C   LIG    1        5.647   1.209  -0.101  0.00  0.00    +0.033 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH   3  17
TORSDOF 6