REMARK  Name = BDB029761
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.634   0.239  -0.836  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1        2.447  -0.269  -0.280  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1        1.223  -0.175  -0.963  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1        1.195   0.434  -2.216  0.00  0.00    +0.154 A 
ATOM      5  F   LIG    1        0.040   0.543  -2.893  0.00  0.00    -0.203 F 
ATOM      6  C   LIG    1        2.367   0.939  -2.779  0.00  0.00    +0.077 A 
ATOM      7 CL   LIG    1        2.334   1.689  -4.331  0.00  0.00    -0.081 Cl
ATOM      8  C   LIG    1        3.581   0.845  -2.097  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        8.339   0.616   0.715  0.00  0.00    +0.150 C 
ATOM     10  N   LIG    1        6.943   0.283   0.591  0.00  0.00    -0.339 N 
ATOM     11  C   LIG    1        6.098   0.680  -0.408  0.00  0.00    +0.115 A 
ATOM     12  C   LIG    1        4.878   0.116  -0.091  0.00  0.00    +0.089 A 
ATOM     13  N   LIG    1        4.981  -0.607   1.076  0.00  0.00    -0.236 NA
ATOM     14  C   LIG    1        6.231  -0.488   1.460  0.00  0.00    +0.199 A 
ENDBRANCH   1  12
BRANCH   3  15
ATOM     15  C   LIG    1        0.005  -0.732  -0.315  0.00  0.00    +0.262 C 
ATOM     16  N   LIG    1       -1.183  -0.683  -1.022  0.00  0.00    -0.228 N 
ATOM     17  H   LIG    1       -1.301  -0.042  -1.812  0.00  0.00    +0.171 HD
ATOM     18  O   LIG    1        0.056  -1.211   0.816  0.00  0.00    -0.269 OA
BRANCH  16  19
ATOM     19  N   LIG    1       -2.454  -0.930  -0.199  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -2.193  -1.236   0.754  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.471   0.442  -0.090  0.00  0.00    +0.047 S 
ATOM     22  O   LIG    1       -3.291   1.183  -1.323  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -3.215   1.045   1.198  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -5.090  -0.341  -0.108  0.00  0.00    +0.149 C 
ATOM     25  C   LIG    1       -5.366  -1.187   1.129  0.00  0.00    +0.028 C 
ATOM     26  C   LIG    1       -5.988  -0.238   2.152  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -6.434   1.004   1.384  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1       -6.218   0.684  -0.090  0.00  0.00    +0.028 C 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH  16  19
ENDBRANCH   3  15
TORSDOF 5