File: 1DWD_ligand.pdb

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rdkit 202009.4-1
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HETATM 2362  S   MID H   1      29.341  12.438  27.058  1.00 24.09           S  
HETATM 2363  O1S MID H   1      28.363  11.839  26.182  1.00 25.99           O  
HETATM 2364  O2S MID H   1      29.062  12.809  28.435  1.00 29.33           O  
HETATM 2365  C1  MID H   1      31.727  11.439  27.937  1.00 15.97           C  
HETATM 2366  C2  MID H   1      30.640  11.263  27.135  1.00 19.26           C  
HETATM 2367  C3  MID H   1      30.507  10.148  26.315  1.00 19.50           C  
HETATM 2368  C4  MID H   1      31.464   9.171  26.300  1.00 19.62           C  
HETATM 2369  C5  MID H   1      33.568   8.267  27.118  1.00 19.55           C  
HETATM 2370  C6  MID H   1      34.690   8.415  27.878  1.00 20.84           C  
HETATM 2371  C7  MID H   1      34.852   9.585  28.681  1.00 22.06           C  
HETATM 2372  C8  MID H   1      33.893  10.593  28.702  1.00 19.05           C  
HETATM 2373  C9  MID H   1      32.741  10.453  27.920  1.00 17.09           C  
HETATM 2374  C10 MID H   1      32.582   9.285  27.133  1.00 18.24           C  
HETATM 2375  N   MID H   1      29.985  13.739  26.306  1.00 23.25           N  
HETATM 2376  CA  MID H   1      30.046  13.740  24.883  1.00 20.01           C  
HETATM 2377  C   MID H   1      31.408  14.033  24.473  1.00 19.97           C  
HETATM 2378  O   MID H   1      32.378  14.117  25.235  1.00 22.60           O  
HETATM 2379  N1  MID H   1      31.506  14.248  23.138  1.00 17.28           N  
HETATM 2380  CA1 MID H   1      32.793  14.539  22.486  1.00 12.67           C  
HETATM 2381  CB  MID H   1      32.978  13.472  21.462  1.00 16.44           C  
HETATM 2382  O1  MID H   1      32.744  13.595  20.255  1.00 20.52           O  
HETATM 2383  CB1 MID H   1      32.722  15.891  21.790  1.00  6.47           C  
HETATM 2384  CG  MID H   1      32.676  16.947  22.807  1.00  6.00           C  
HETATM 2385  CD1 MID H   1      33.838  17.468  23.309  1.00  7.87           C  
HETATM 2386  CD2 MID H   1      31.463  17.355  23.295  1.00  7.63           C  
HETATM 2387  CE1 MID H   1      33.780  18.485  24.280  1.00  9.10           C  
HETATM 2388  CE2 MID H   1      31.382  18.362  24.260  1.00  9.72           C  
HETATM 2389  CZ  MID H   1      32.545  18.928  24.748  1.00  8.97           C  
HETATM 2390  CF  MID H   1      32.475  19.965  25.786  1.00  8.79           C  
HETATM 2391  NG1 MID H   1      31.296  20.429  26.237  1.00  6.31           N  
HETATM 2392  NG2 MID H   1      33.531  20.749  26.044  1.00 11.59           N  
HETATM 2393  N11 MID H   1      33.473  12.286  22.011  1.00 14.67           N  
HETATM 2394  C21 MID H   1      33.756  12.198  23.456  1.00 15.23           C  
HETATM 2395  C31 MID H   1      33.051  10.991  24.086  1.00 14.07           C  
HETATM 2396  C41 MID H   1      33.331   9.715  23.265  1.00 13.89           C  
HETATM 2397  C51 MID H   1      32.940   9.920  21.771  1.00 12.40           C  
HETATM 2398  C61 MID H   1      33.690  11.116  21.167  1.00 12.35           C  
CONECT 2362 2363 2364 2366 2375                                                 
CONECT 2363 2362                                                                
CONECT 2364 2362                                                                
CONECT 2365 2366 2373                                                           
CONECT 2366 2362 2365 2367                                                      
CONECT 2367 2366 2368                                                           
CONECT 2368 2367 2374                                                           
CONECT 2369 2370 2374                                                           
CONECT 2370 2369 2371                                                           
CONECT 2371 2370 2372                                                           
CONECT 2372 2371 2373                                                           
CONECT 2373 2365 2372 2374                                                      
CONECT 2374 2368 2369 2373                                                      
CONECT 2375 2362 2376                                                           
CONECT 2376 2375 2377                                                           
CONECT 2377 2376 2378 2379                                                      
CONECT 2378 2377                                                                
CONECT 2379 2377 2380                                                           
CONECT 2380 2379 2381 2383                                                      
CONECT 2381 2380 2382 2393                                                      
CONECT 2382 2381                                                                
CONECT 2383 2380 2384                                                           
CONECT 2384 2383 2385 2386                                                      
CONECT 2385 2384 2387                                                           
CONECT 2386 2384 2388                                                           
CONECT 2387 2385 2389                                                           
CONECT 2388 2386 2389                                                           
CONECT 2389 2387 2388 2390                                                      
CONECT 2390 2389 2391 2392                                                      
CONECT 2391 2390                                                                
CONECT 2392 2390                                                                
CONECT 2393 2381 2394 2398                                                      
CONECT 2394 2393 2395                                                           
CONECT 2395 2394 2396                                                           
CONECT 2396 2395 2397                                                           
CONECT 2397 2396 2398                                                           
CONECT 2398 2393 2397                                                           
END