REMARK  Name = BDB029765
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.664   0.342  -0.066  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1       -1.502  -0.424   0.128  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1       -0.259  -0.005  -0.374  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1       -0.186   1.196  -1.077  0.00  0.00    +0.154 A 
ATOM      5  F   LIG    1        0.989   1.627  -1.565  0.00  0.00    -0.203 F 
ATOM      6  C   LIG    1       -1.332   1.964  -1.277  0.00  0.00    +0.077 A 
ATOM      7 CL   LIG    1       -1.244   3.448  -2.150  0.00  0.00    -0.081 Cl
ATOM      8  C   LIG    1       -2.566   1.544  -0.777  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -7.401  -0.061   1.378  0.00  0.00    +0.150 C 
ATOM     10  N   LIG    1       -6.009  -0.311   1.106  0.00  0.00    -0.339 N 
ATOM     11  C   LIG    1       -5.130   0.547   0.506  0.00  0.00    +0.115 A 
ATOM     12  C   LIG    1       -3.930  -0.134   0.471  0.00  0.00    +0.089 A 
ATOM     13  N   LIG    1       -4.078  -1.380   1.038  0.00  0.00    -0.236 NA
ATOM     14  C   LIG    1       -5.335  -1.456   1.410  0.00  0.00    +0.199 A 
ENDBRANCH   1  12
BRANCH   3  15
ATOM     15  C   LIG    1        0.930  -0.865  -0.131  0.00  0.00    +0.262 C 
ATOM     16  N   LIG    1        2.137  -0.471  -0.682  0.00  0.00    -0.228 N 
ATOM     17  H   LIG    1        2.287   0.496  -0.983  0.00  0.00    +0.171 HD
ATOM     18  O   LIG    1        0.841  -1.887   0.546  0.00  0.00    -0.269 OA
BRANCH  16  19
ATOM     19  N   LIG    1        3.382  -1.173  -0.122  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        3.095  -1.961   0.482  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        4.403  -0.136   0.780  0.00  0.00    +0.047 S 
ATOM     22  O   LIG    1        4.263   1.190   0.211  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        4.132  -0.395   2.176  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        6.088  -0.734   0.474  0.00  0.00    +0.150 C 
ATOM     25  C   LIG    1        7.141   0.339   0.410  0.00  0.00    +0.030 C 
ATOM     26  C   LIG    1        6.668  -0.329  -0.855  0.00  0.00    +0.030 C 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH  16  19
ENDBRANCH   3  15
TORSDOF 5