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. Cu-Phthalocyanine
  5. Cyclohexanehexone
  6. Cyclosporin
  7. Diazepam
  8. Diclofenac
  9. Dieldrin
  10. Diethylmalonate
  11. Digitonine
  12. Digitoxine
  13. Digoxin
  14. DinitrobenzAc no form.ch.s
  15. DinitrobenzAc form.ch.
  16. DNA-fragment B-(AGCT)4
  17. EDTA
  18. Erythromycin
  19. Ethane
  20. EthylacetoAcetate
  21. Ferrocene
  22. FluoroaceticAcid
  23. Fluorobenzene
  24. FormicAcid
  25. GlutaricAcid
  26. Griseofulvin
  27. Hexane
  28. Ibuprofen
  29. Indigo
  30. Km
  31. Lactulose
  32. Luminol
  33. Maitotoxin
  34. MalonicAcid
  35. Mesitylene
  36. Methadone
  37. NeoSurugatoxin
  38. Nicotine
  39. Ninhydrin
  1. NitricAcid no formal charges
  2. NitricAcid1 formal charges
  3. Oseltamivir
  4. OxalicAcid
  5. Paraquat++
  6. Pentane
  7. PheGlyHisIle Tetrapeptide
  8. Phenazine
  9. Phenylbutazone
  10. Phenylhydrazine
  11. PhosphoricAcid
  12. PhthalicAcidAnhydride
  13. PicolinicAcid
  14. Pilocarpine
  15. Polyproline Decapeptide
  16. Progesteron
  17. Propane
  18. Propranolol
  19. PyrophosphoricAcid
  20. Rattusin
  21. Riboflavin
  22. Saccharose
  23. Santonine
  24. Sodium Metal fcc
  25. Sodium Metal bcc
  26. Solanidine
  27. Strychnine
  28. SubericAcid
  29. SuccinicAcid
  30. SulfanilicAcid
  31. SulfuricAcid
  32. Taxol
  33. Testosteron
  34. R-Thalidomide
  35. S-Thalidomide
  36. Toluene
  37. Triptycene
  38. Tropine
  39. Urotropine
  1. Vancomycine
  2. Vanilline
  3. Violanthrone
  4. VitaminA
  5. VitaminB6
  6. VitaminD3
  7. VitaminK1
  8. Warfarin
  9. Xanthophyll