REMARK  Name = BDB029763
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.856   3.042   0.220  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -0.476   3.417   0.168  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.754   3.978   0.973  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.611   3.571   1.036  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.049   0.210  -1.001  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        2.438   1.191  -0.199  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        1.409   2.015  -0.691  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        0.993   1.876  -2.010  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        0.034   2.672  -2.512  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        1.569   0.902  -2.820  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        1.045   0.707  -4.450  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        2.582   0.079  -2.323  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        6.964  -0.789   2.031  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1        5.996  -1.183   0.956  0.00  0.00    -0.047 A 
ATOM     15  C   LIG    1        5.004  -0.293   0.528  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1        4.130  -0.666  -0.496  0.00  0.00    +0.071 A 
ATOM     17  N   LIG    1        4.236  -1.872  -1.109  0.00  0.00    -0.255 NA
ATOM     18  C   LIG    1        5.206  -2.713  -0.691  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1        6.101  -2.418   0.321  0.00  0.00    +0.023 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  N   LIG    1       -1.569   2.487  -0.347  0.00  0.00    -0.112 NA
ATOM     21  H   LIG    1       -1.475   2.262  -1.346  0.00  0.00    +0.171 HD
BRANCH  20  22
ATOM     22  S   LIG    1       -1.859   1.088   0.593  0.00  0.00    +0.045 S 
ATOM     23  O   LIG    1       -1.054   0.042   0.005  0.00  0.00    -0.157 OA
ATOM     24  O   LIG    1       -1.728   1.467   1.983  0.00  0.00    -0.157 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -3.591   0.810   0.221  0.00  0.00    +0.190 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.156  -0.416   0.962  0.00  0.00    +0.016 C 
ATOM     27  C   LIG    1       -3.859  -1.733   0.216  0.00  0.00    +0.033 C 
ATOM     28  C   LIG    1       -4.994  -2.155  -0.717  0.00  0.00    +0.160 C 
ATOM     29  O   LIG    1       -5.678  -1.007  -1.209  0.00  0.00    -0.380 OA
ATOM     30  C   LIG    1       -6.422  -0.340  -0.188  0.00  0.00    +0.160 C 
ATOM     31  C   LIG    1       -5.674  -0.285   1.145  0.00  0.00    +0.033 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 6