REMARK  Name = BDB029976
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.691  -1.010   0.059  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.451  -1.083  -0.549  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.218  -0.477  -1.341  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.881  -1.458   1.190  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        5.152   0.303  -0.732  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        4.063  -0.293  -0.078  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        2.799  -0.361  -0.691  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        2.631   0.175  -1.967  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        1.431   0.128  -2.570  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        3.706   0.768  -2.627  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        3.501   1.428  -4.205  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        4.958   0.832  -2.016  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        8.995   0.038   2.402  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        8.158   0.273   1.255  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        6.825  -0.013   1.151  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        6.469   0.387  -0.121  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        7.564   0.907  -0.777  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        8.561   0.825   0.075  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -0.725  -1.422   0.376  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.367  -1.718   1.300  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.814  -0.120   0.593  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -1.495   0.480   1.868  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.805   0.643  -0.638  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.356  -1.016   0.728  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.500  -0.056   0.992  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1       -5.916  -0.688   0.944  0.00  0.00    +0.027 C 
ATOM     27  C   LIG    1       -6.416   0.644   0.335  0.00  0.00    +0.075 C 
ATOM     28  C   LIG    1       -4.971   0.858  -0.173  0.00  0.00    +0.027 C 
BRANCH  27  29
ATOM     29  N   LIG    1       -7.418   0.504  -0.731  0.00  0.00    -0.297 N 
ATOM     30  H   LIG    1       -7.129   0.397  -1.694  0.00  0.00    +0.151 HD
ATOM     31  C   LIG    1       -8.692   0.091  -0.470  0.00  0.00    +0.297 C 
ATOM     32  O   LIG    1       -9.142  -0.184   0.631  0.00  0.00    -0.253 OA
ATOM     33  N   LIG    1       -9.449   0.005  -1.595  0.00  0.00    -0.313 N 
ATOM     34  H   LIG    1      -10.420  -0.194  -1.384  0.00  0.00    +0.146 HD
ATOM     35  H   LIG    1       -9.327   0.751  -2.265  0.00  0.00    +0.146 HD
ENDBRANCH  27  29
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 7