REMARK  Name = BDB029762
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.220   0.388   1.131  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -0.020   1.063   1.266  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.204   1.858   0.661  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -1.372  -0.749   1.577  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.642   0.981  -0.377  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1       -3.554   0.394   0.287  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -2.329   1.072   0.416  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -2.201   2.350  -0.126  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -1.041   3.018  -0.022  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -3.277   2.944  -0.783  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -3.123   4.524  -1.453  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -4.492   2.267  -0.909  0.00  0.00    +0.031 A 
BRANCH   5  17
ATOM     13  C   LIG    1       -8.050  -2.613  -0.768  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1       -7.398  -1.329  -0.686  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1       -8.134  -0.206  -0.767  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -7.228   0.769  -0.661  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1       -5.909   0.280  -0.509  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -6.062  -1.092  -0.535  0.00  0.00    +0.116 A 
ENDBRANCH   5  17
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        1.185   0.198   1.665  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        0.859  -0.740   1.952  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        2.336   0.024   0.407  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        2.280   1.239  -0.379  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        2.107  -1.279  -0.175  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.847  -0.003   1.368  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.106  -0.027   0.495  0.00  0.00    +0.016 C 
ATOM     26  C   LIG    1        5.260  -1.345  -0.287  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1        6.719  -1.687  -0.578  0.00  0.00    +0.160 C 
ATOM     28  O   LIG    1        7.479  -0.497  -0.741  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1        7.617   0.237   0.476  0.00  0.00    +0.160 C 
ATOM     30  C   LIG    1        6.358   0.210   1.344  0.00  0.00    +0.033 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6