Recent studies

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   coordinates is not yet consistently optimized, see Specifications.
Some pictures (rabbit ear lone pairs, exceptions Crambin and others)
Testset-He
Testset σ/π  (sigma/pi lone pairs)

New Molecules
Benzodiazepines
Hydrocarbons
Kinase-Inhibitors
Neuro-Leptica
Toxines
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  1. DiaminoStilbenedisulfAc.
  2. AceticAcid
  3. AdipicAcid
  4. Adrenalin
  5. AlaCysAspGluPheGlyHisIle
  6. Alizarin
  7. Allantoin
  8. Anthraquinone
  9. Aspirin
  10. ATP
  11. Azobenzene
  12. Azoxybenzene N=O
  13. Azoxybenzene1 (N+)-(O-)
  14. BenzenephosphonicAcid
  15. BenzenesulfonicAcid
  16. Benzenesulfonamide
  17. Biotin
  18. Bis(benzene)chromium
  19. BisphenolA
  20. Butane
  21. C640
  22. Caffeine
  23. Cantharidin
  24. Chinaldine
  25. Chinine
  26. Chloramphenicol
  27. Chloranil
  28. 4ChlorophenylSulfoxide
  29. Cholesterol
  30. Cinchonine
  31. CoenzymeA
  1. Cortisone
  2. Coumarin
  3. Crambin Protein, 46 aminoac.
  4. Creatinine
  5. Cu-Phthalocyanine
  6. Cyclohexanehexone
  7. Cyclosporin
  8. Diazepam
  9. Diclofenac
  10. Dieldrin
  11. Diethylmalonate
  12. Digitonine
  13. Digitoxine
  14. Digoxin
  15. DinitrobenzAc no form.ch.s
  16. DinitrobenzAc form.ch.
  17. DNA-fragment B-(AGCT)4
  18. EDTA
  19. Erythromycin
  20. Ethane
  21. EthylacetoAcetate
  22. Ferrocene
  23. FluoroaceticAcid
  24. Fluorobenzene
  25. FormicAcid
  26. GlutaricAcid
  27. Griseofulvin
  28. Hexane
  29. Ibuprofen
  30. Indigo
  31. Km
  32. Lactulose
  33. Luminol
  34. Maitotoxin
  35. MalonicAcid
  36. Mesitylene
  37. Methadone
  38. NeoSurugatoxin
  39. Nicotine
  1. Ninhydrin
  2. NitricAcid no formal charges
  3. NitricAcid1 formal charges
  4. Oseltamivir
  5. OxalicAcid
  6. Paraquat++
  7. Pentane
  8. PheGlyHisIle Tetrapeptide
  9. Phenazine
  10. Phenylbutazone
  11. Phenylhydrazine
  12. PhosphoricAcid
  13. PhthalicAcidAnhydride
  14. PicolinicAcid
  15. Pilocarpine
  16. Polyproline Decapeptide
  17. Progesteron
  18. Propane
  19. Propranolol
  20. PyrophosphoricAcid
  21. Rattusin
  22. Riboflavin
  23. Saccharose
  24. Santonine
  25. Sodium Metal fcc
  26. Sodium Metal bcc
  27. Solanidine
  28. Strychnine
  29. SubericAcid
  30. SuccinicAcid
  31. SulfanilicAcid
  32. SulfuricAcid
  33. Taxol
  34. Testosteron
  35. R-Thalidomide
  36. S-Thalidomide
  37. Toluene
  38. Triptycene
  39. Tropine
  1. Urotropine
  2. Vancomycine
  3. Vanilline
  4. Violanthrone
  5. VitaminA
  6. VitaminB6
  7. VitaminD3
  8. VitaminK1
  9. Warfarin
  10. Xanthophyll