T12
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O56 | N54 | sing | 1.25Å | 1.43Å | |
| N54 | O55 | doub | 1.25Å | 1.41Å | |
| N54 | C13 | sing | 1.42Å | 1.42Å | |
| C13 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | H12 | sing | 1.09Å | 1.08Å | |
| C11 | C10 | doub | 1.40Å | 1.42Å | Aromatic |
| C11 | H11 | sing | 1.09Å | 1.08Å | |
| C10 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | H10 | sing | 1.09Å | 1.08Å | |
| C14 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | H14 | sing | 1.09Å | 1.08Å | |
| C15 | C51 | sing | 1.47Å | 1.51Å | |
| C51 | N50 | sing | 1.42Å | 1.31Å | |
| C51 | O53 | doub | 1.23Å | 1.31Å | |
| N50 | C21 | sing | 1.37Å | 1.34Å | |
| N50 | HN50 | sing | 1.04Å | 1.00Å | |
| C21 | N20 | sing | 1.37Å | 1.32Å | Aromatic |
| C21 | N22 | doub | 1.31Å | 1.35Å | Aromatic |
| N22 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.41Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.42Å | 1.41Å | Aromatic |
| C4 | H4 | sing | 1.09Å | 1.08Å | |
| C5 | O23 | sing | 1.33Å | 1.24Å | |
| C5 | C6 | doub | 1.41Å | 1.35Å | Aromatic |
| O23 | C24 | sing | 1.37Å | 1.44Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | O26 | doub | 1.23Å | 1.31Å | |
| C25 | C31 | sing | 1.53Å | 1.51Å | |
| C25 | C27 | sing | 1.54Å | 1.53Å | |
| C25 | C35 | sing | 1.53Å | 1.53Å | |
| C35 | H351 | sing | 1.10Å | 1.10Å | |
| C35 | H352 | sing | 1.10Å | 1.10Å | |
| C35 | H353 | sing | 1.10Å | 1.10Å | |
| C31 | H311 | sing | 1.10Å | 1.10Å | |
| C31 | H312 | sing | 1.10Å | 1.10Å | |
| C31 | H313 | sing | 1.10Å | 1.10Å | |
| C27 | H271 | sing | 1.10Å | 1.10Å | |
| C27 | H272 | sing | 1.10Å | 1.10Å | |
| C27 | H273 | sing | 1.10Å | 1.10Å | |
| C6 | C1 | sing | 1.40Å | 1.38Å | Aromatic |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| C2 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | N20 | sing | 1.37Å | 1.32Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| N20 | C39 | sing | 1.45Å | 1.44Å | |
| C39 | C40 | sing | 1.53Å | 1.54Å | |
| C39 | H391 | sing | 1.10Å | 1.10Å | |
| C39 | H392 | sing | 1.10Å | 1.10Å | |
| C40 | C43 | sing | 1.52Å | 1.52Å | |
| C40 | H401 | sing | 1.10Å | 1.10Å | |
| C40 | H402 | sing | 1.10Å | 1.10Å | |
| C43 | O46 | sing | 1.42Å | 1.45Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| O46 | HO46 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O56 | N54 | O55 | 119.5° | 122.0° |
| O56 | N54 | C13 | 121.6° | 119.0° |
| O55 | N54 | C13 | 118.9° | 119.0° |
| N54 | C13 | C14 | 119.9° | 120.1° |
| N54 | C13 | C12 | 120.0° | 119.9° |
| C14 | C13 | C12 | 120.1° | 120.0° |
| C13 | C14 | C15 | 119.3° | 119.3° |
| C13 | C14 | H14 | 120.3° | 120.1° |
| C13 | C12 | C11 | 121.6° | 120.0° |
| C13 | C12 | H12 | 119.2° | 120.7° |
| C11 | C12 | H12 | 119.2° | 119.3° |
| C12 | C11 | C10 | 117.8° | 120.0° |
| C12 | C11 | H11 | 121.1° | 120.0° |
| C10 | C11 | H11 | 121.1° | 120.0° |
| C11 | C10 | C15 | 121.4° | 119.3° |
| C11 | C10 | H10 | 119.3° | 119.4° |
| C15 | C10 | H10 | 119.3° | 121.3° |
| C10 | C15 | C14 | 119.8° | 121.4° |
| C10 | C15 | C51 | 121.0° | 119.3° |
| C15 | C14 | H14 | 120.3° | 120.6° |
| C14 | C15 | C51 | 119.2° | 119.4° |
| C15 | C51 | N50 | 119.4° | 115.8° |
| C15 | C51 | O53 | 119.7° | 121.0° |
| N50 | C51 | O53 | 120.6° | 123.2° |
| C51 | N50 | C21 | 123.2° | 129.2° |
| C51 | N50 | HN50 | 118.4° | 115.5° |
| C21 | N50 | HN50 | 118.4° | 115.4° |
| N50 | C21 | N20 | 120.5° | 121.5° |
| N50 | C21 | N22 | 126.4° | 126.6° |
| N20 | C21 | N22 | 113.1° | 112.0° |
| C21 | N20 | C2 | 108.8° | 107.8° |
| C21 | N20 | C39 | 127.7° | 126.5° |
| C21 | N22 | C3 | 102.6° | 105.1° |
| N22 | C3 | C4 | 133.1° | 130.0° |
| N22 | C3 | C2 | 109.8° | 110.8° |
| C4 | C3 | C2 | 117.1° | 119.1° |
| C3 | C4 | C5 | 119.0° | 119.6° |
| C3 | C4 | H4 | 120.5° | 120.7° |
| C3 | C2 | C1 | 122.7° | 123.4° |
| C3 | C2 | N20 | 105.7° | 104.3° |
| C5 | C4 | H4 | 120.5° | 119.7° |
| C4 | C5 | O23 | 121.0° | 120.5° |
| C4 | C5 | C6 | 123.7° | 118.8° |
| O23 | C5 | C6 | 115.3° | 120.7° |
| C5 | O23 | C24 | 126.9° | 114.4° |
| C5 | C6 | C1 | 118.1° | 122.4° |
| C5 | C6 | H6 | 121.0° | 118.7° |
| O23 | C24 | C25 | 120.1° | 110.0° |
| O23 | C24 | O26 | 116.6° | 126.2° |
| C25 | C24 | O26 | 123.3° | 123.8° |
| C24 | C25 | C31 | 109.4° | 109.5° |
| C24 | C25 | C27 | 111.5° | 109.5° |
| C24 | C25 | C35 | 106.9° | 109.5° |
| C31 | C25 | C27 | 106.8° | 108.9° |
| C31 | C25 | C35 | 110.4° | 110.5° |
| C25 | C31 | H311 | 109.5° | 111.6° |
| C25 | C31 | H312 | 109.5° | 111.2° |
| C25 | C31 | H313 | 109.5° | 111.0° |
| C27 | C25 | C35 | 111.8° | 108.9° |
| C25 | C27 | H271 | 109.5° | 111.3° |
| C25 | C27 | H272 | 109.4° | 111.3° |
| C25 | C27 | H273 | 109.5° | 111.2° |
| C25 | C35 | H351 | 109.5° | 111.0° |
| C25 | C35 | H352 | 109.5° | 111.7° |
| C25 | C35 | H353 | 109.5° | 111.3° |
| H351 | C35 | H352 | 109.4° | 107.2° |
| H351 | C35 | H353 | 109.5° | 108.0° |
| H352 | C35 | H353 | 109.5° | 107.5° |
| H311 | C31 | H312 | 109.4° | 107.5° |
| H311 | C31 | H313 | 109.5° | 107.2° |
| H312 | C31 | H313 | 109.5° | 108.0° |
| H271 | C27 | H272 | 109.4° | 107.7° |
| H271 | C27 | H273 | 109.4° | 107.4° |
| H272 | C27 | H273 | 109.5° | 107.8° |
| C1 | C6 | H6 | 121.0° | 118.9° |
| C6 | C1 | C2 | 119.4° | 116.7° |
| C6 | C1 | H1 | 120.3° | 121.2° |
| C1 | C2 | N20 | 131.5° | 132.3° |
| C2 | C1 | H1 | 120.3° | 122.1° |
| C2 | N20 | C39 | 123.5° | 125.7° |
| N20 | C39 | C40 | 118.1° | 113.8° |
| N20 | C39 | H391 | 106.7° | 108.4° |
| N20 | C39 | H392 | 104.7° | 106.8° |
| C40 | C39 | H391 | 106.7° | 110.8° |
| C40 | C39 | H392 | 104.7° | 109.9° |
| C39 | C40 | C43 | 110.6° | 113.3° |
| C39 | C40 | H401 | 109.1° | 108.9° |
| C39 | C40 | H402 | 108.8° | 110.8° |
| H391 | C39 | H392 | 116.5° | 106.9° |
| C43 | C40 | H401 | 109.1° | 108.7° |
| C43 | C40 | H402 | 108.9° | 109.2° |
| C40 | C43 | O46 | 106.2° | 108.7° |
| C40 | C43 | H431 | 110.6° | 111.4° |
| C40 | C43 | H432 | 111.3° | 110.9° |
| H401 | C40 | H402 | 110.3° | 105.6° |
| O46 | C43 | H431 | 110.6° | 108.2° |
| O46 | C43 | H432 | 111.3° | 108.4° |
| C43 | O46 | HO46 | 109.5° | 106.8° |
| H431 | C43 | H432 | 106.9° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O56 | N54 | O55 | C13 | 179.1° | 179.9° |
| O56 | N54 | C13 | C14 | 167.8° | 179.9° |
| O56 | N54 | C13 | C12 | 12.0° | 0.1° |
| O55 | N54 | C13 | C14 | 13.1° | 0.1° |
| O55 | N54 | C13 | C12 | 167.1° | 179.9° |
| N54 | C13 | C14 | C12 | 179.9° | 180.0° |
| N54 | C13 | C12 | C11 | 179.7° | 180.0° |
| N54 | C13 | C12 | H12 | 0.3° | 0.1° |
| N54 | C13 | C14 | C15 | 178.9° | 180.0° |
| N54 | C13 | C14 | H14 | 1.2° | 0.0° |
| C14 | C13 | C12 | C11 | 0.4° | 0.0° |
| C14 | C13 | C12 | H12 | 179.6° | 179.9° |
| C13 | C14 | C15 | C10 | 1.3° | 0.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C51 | 179.2° | 180.0° |
| C13 | C12 | C11 | H12 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 0.4° | 0.0° |
| C13 | C12 | C11 | H11 | 179.6° | 180.0° |
| C12 | C13 | C14 | C15 | 1.3° | 0.0° |
| C12 | C13 | C14 | H14 | 178.7° | 180.0° |
| C12 | C11 | C10 | H11 | 180.0° | 180.0° |
| C12 | C11 | C10 | C15 | 0.4° | 0.0° |
| C12 | C11 | C10 | H10 | 179.6° | 179.9° |
| H12 | C12 | C11 | C10 | 179.6° | 179.9° |
| H12 | C12 | C11 | H11 | 0.4° | 0.0° |
| C11 | C10 | C15 | H10 | 180.0° | 179.9° |
| C11 | C10 | C15 | C14 | 0.5° | 0.0° |
| C11 | C10 | C15 | C51 | 178.3° | 180.0° |
| H11 | C11 | C10 | C15 | 179.6° | 180.0° |
| H11 | C11 | C10 | H10 | 0.4° | 0.0° |
| C10 | C15 | C14 | C51 | 177.9° | 180.0° |
| C10 | C15 | C14 | H14 | 178.7° | 180.0° |
| C10 | C15 | C51 | N50 | 167.6° | 153.0° |
| C10 | C15 | C51 | O53 | 6.4° | 28.7° |
| H10 | C10 | C15 | C14 | 179.6° | 179.9° |
| H10 | C10 | C15 | C51 | 1.7° | 0.1° |
| C14 | C15 | C51 | N50 | 10.3° | 27.0° |
| C14 | C15 | C51 | O53 | 175.7° | 151.3° |
| H14 | C14 | C15 | C51 | 0.8° | 0.0° |
| C15 | C51 | N50 | O53 | 173.9° | 178.2° |
| C15 | C51 | N50 | C21 | 162.4° | 178.2° |
| C15 | C51 | N50 | HN50 | 17.6° | 1.8° |
| C51 | N50 | C21 | HN50 | 180.0° | 180.0° |
| C51 | N50 | C21 | N20 | 179.3° | 180.0° |
| C51 | N50 | C21 | N22 | 0.7° | 0.1° |
| O53 | C51 | N50 | C21 | 11.6° | 0.0° |
| O53 | C51 | N50 | HN50 | 168.4° | 180.0° |
| N50 | C21 | N20 | N22 | 178.7° | 179.9° |
| N50 | C21 | N22 | C3 | 180.0° | 179.9° |
| N50 | C21 | N20 | C2 | 179.7° | 180.0° |
| N50 | C21 | N20 | C39 | 1.2° | 0.1° |
| HN50 | N50 | C21 | N20 | 0.7° | 0.0° |
| HN50 | N50 | C21 | N22 | 179.3° | 179.9° |
| N20 | C21 | N22 | C3 | 1.4° | 0.1° |
| C21 | N20 | C2 | C3 | 1.1° | 0.0° |
| C21 | N20 | C2 | C1 | 178.6° | 180.0° |
| C21 | N20 | C2 | C39 | 178.5° | 180.0° |
| C21 | N20 | C39 | C40 | 66.2° | 90.0° |
| C21 | N20 | C39 | H391 | 53.8° | 33.8° |
| C21 | N20 | C39 | H392 | 177.9° | 148.6° |
| C21 | N22 | C3 | C4 | 178.6° | 180.0° |
| C21 | N22 | C3 | C2 | 0.7° | 0.0° |
| N22 | C21 | N20 | C2 | 1.6° | 0.1° |
| N22 | C21 | N20 | C39 | 179.9° | 179.9° |
| N22 | C3 | C4 | C2 | 177.7° | 180.0° |
| N22 | C3 | C4 | C5 | 177.6° | 180.0° |
| N22 | C3 | C4 | H4 | 2.4° | 0.0° |
| N22 | C3 | C2 | C1 | 178.0° | 180.0° |
| N22 | C3 | C2 | N20 | 0.2° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | O23 | 179.8° | 180.0° |
| C3 | C4 | C5 | C6 | 1.2° | 0.1° |
| C4 | C3 | C2 | C1 | 0.2° | 0.0° |
| C4 | C3 | C2 | N20 | 178.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C2 | C3 | C4 | H4 | 179.9° | 180.0° |
| C3 | C2 | C1 | C6 | 1.3° | 0.1° |
| C3 | C2 | C1 | N20 | 177.2° | 179.9° |
| C3 | C2 | C1 | H1 | 178.7° | 180.0° |
| C3 | C2 | N20 | C39 | 179.6° | 180.0° |
| C4 | C5 | O23 | C6 | 178.7° | 179.9° |
| C4 | C5 | O23 | C24 | 84.7° | 90.0° |
| C4 | C5 | C6 | C1 | 2.2° | 0.1° |
| C4 | C5 | C6 | H6 | 177.8° | 180.0° |
| H4 | C4 | C5 | O23 | 0.2° | 0.1° |
| H4 | C4 | C5 | C6 | 178.8° | 180.0° |
| C5 | O23 | C24 | C25 | 169.8° | 179.9° |
| C5 | O23 | C24 | O26 | 7.4° | 0.6° |
| O23 | C5 | C6 | C1 | 179.1° | 180.0° |
| O23 | C5 | C6 | H6 | 0.9° | 0.1° |
| C6 | C5 | O23 | C24 | 94.0° | 89.9° |
| C5 | C6 | C1 | H6 | 180.0° | 179.9° |
| C5 | C6 | C1 | C2 | 2.2° | 0.1° |
| C5 | C6 | C1 | H1 | 177.8° | 179.9° |
| O23 | C24 | C25 | O26 | 177.0° | 179.5° |
| O23 | C24 | C25 | C31 | 87.1° | 178.7° |
| O23 | C24 | C25 | C27 | 30.8° | 59.4° |
| O23 | C24 | C25 | C35 | 153.3° | 60.0° |
| C24 | C25 | C31 | C27 | 120.9° | 119.7° |
| C24 | C25 | C31 | C35 | 117.4° | 120.7° |
| C24 | C25 | C27 | C35 | 119.6° | 119.7° |
| C24 | C25 | C35 | H351 | 158.8° | 56.1° |
| C24 | C25 | C35 | H352 | 81.2° | 63.4° |
| C24 | C25 | C35 | H353 | 38.8° | 176.5° |
| C24 | C25 | C31 | H311 | 143.2° | 63.6° |
| C24 | C25 | C31 | H312 | 96.8° | 176.4° |
| C24 | C25 | C31 | H313 | 23.3° | 56.0° |
| C24 | C25 | C27 | H271 | 73.8° | 59.9° |
| C24 | C25 | C27 | H272 | 166.2° | 179.9° |
| C24 | C25 | C27 | H273 | 46.2° | 59.8° |
| O26 | C24 | C25 | C31 | 89.9° | 0.8° |
| O26 | C24 | C25 | C27 | 152.2° | 120.1° |
| O26 | C24 | C25 | C35 | 29.7° | 120.5° |
| C31 | C25 | C27 | C35 | 120.9° | 120.5° |
| C31 | C25 | C35 | H351 | 39.9° | 176.8° |
| C31 | C25 | C35 | H352 | 159.9° | 57.3° |
| C31 | C25 | C35 | H353 | 80.1° | 62.8° |
| C25 | C31 | H311 | H312 | 120.0° | 122.2° |
| C25 | C31 | H311 | H313 | 120.0° | 121.8° |
| C25 | C31 | H312 | H313 | 120.0° | 122.1° |
| C31 | C25 | C27 | H271 | 166.7° | 179.7° |
| C31 | C25 | C27 | H272 | 46.7° | 60.2° |
| C31 | C25 | C27 | H273 | 73.3° | 60.0° |
| C27 | C25 | C35 | H351 | 78.9° | 63.6° |
| C27 | C25 | C35 | H352 | 41.1° | 176.8° |
| C27 | C25 | C35 | H353 | 161.1° | 56.7° |
| C27 | C25 | C31 | H311 | 22.4° | 176.7° |
| C27 | C25 | C31 | H312 | 142.4° | 56.6° |
| C27 | C25 | C31 | H313 | 97.6° | 63.7° |
| C25 | C27 | H271 | H272 | 120.0° | 122.2° |
| C25 | C27 | H271 | H273 | 120.0° | 122.0° |
| C25 | C27 | H272 | H273 | 120.0° | 122.2° |
| C25 | C35 | H351 | H352 | 120.0° | 122.2° |
| C25 | C35 | H351 | H353 | 120.0° | 122.3° |
| C25 | C35 | H352 | H353 | 120.0° | 122.3° |
| C35 | C25 | C31 | H311 | 99.4° | 57.1° |
| C35 | C25 | C31 | H312 | 20.6° | 63.0° |
| C35 | C25 | C31 | H313 | 140.7° | 176.7° |
| C35 | C25 | C27 | H271 | 45.8° | 59.8° |
| C35 | C25 | C27 | H272 | 74.2° | 60.3° |
| C35 | C25 | C27 | H273 | 165.8° | 179.5° |
| H351 | C35 | H352 | H353 | 120.0° | 115.9° |
| H311 | C31 | H312 | H313 | 120.0° | 115.4° |
| H271 | C27 | H272 | H273 | 120.0° | 115.6° |
| C6 | C1 | C2 | H1 | 180.0° | 180.0° |
| C6 | C1 | C2 | N20 | 178.4° | 180.0° |
| H6 | C6 | C1 | C2 | 177.8° | 180.0° |
| H6 | C6 | C1 | H1 | 2.2° | 0.0° |
| C1 | C2 | N20 | C39 | 2.9° | 0.0° |
| N20 | C2 | C1 | H1 | 1.5° | 0.0° |
| C2 | N20 | C39 | C40 | 112.0° | 90.0° |
| C2 | N20 | C39 | H391 | 128.0° | 146.2° |
| C2 | N20 | C39 | H392 | 3.9° | 31.4° |
| N20 | C39 | C40 | H391 | 120.0° | 122.5° |
| N20 | C39 | C40 | H392 | 115.9° | 119.7° |
| N20 | C39 | H391 | H392 | 116.5° | 114.8° |
| N20 | C39 | C40 | C43 | 68.1° | 177.5° |
| N20 | C39 | C40 | H401 | 51.9° | 56.4° |
| N20 | C39 | C40 | H402 | 172.4° | 59.3° |
| C40 | C39 | H391 | H392 | 116.5° | 119.7° |
| C39 | C40 | C43 | H401 | 120.0° | 121.2° |
| C39 | C40 | C43 | H402 | 119.5° | 124.0° |
| C39 | C40 | H401 | H402 | 119.5° | 119.0° |
| C39 | C40 | C43 | O46 | 48.6° | 179.1° |
| C39 | C40 | C43 | H431 | 168.6° | 60.0° |
| C39 | C40 | C43 | H432 | 72.6° | 61.8° |
| H391 | C39 | C40 | C43 | 171.9° | 60.0° |
| H391 | C39 | C40 | H401 | 68.1° | 178.9° |
| H391 | C39 | C40 | H402 | 52.4° | 63.2° |
| H392 | C39 | C40 | C43 | 47.8° | 57.9° |
| H392 | C39 | C40 | H401 | 167.8° | 63.3° |
| H392 | C39 | C40 | H402 | 71.7° | 178.9° |
| C43 | C40 | H401 | H402 | 119.6° | 117.1° |
| C40 | C43 | O46 | H431 | 120.0° | 121.1° |
| C40 | C43 | O46 | H432 | 121.3° | 120.7° |
| C40 | C43 | H431 | H432 | 121.3° | 122.8° |
| C40 | C43 | O46 | HO46 | 12.6° | 178.9° |
| H401 | C40 | C43 | O46 | 168.6° | 59.7° |
| H401 | C40 | C43 | H431 | 71.4° | 178.8° |
| H401 | C40 | C43 | H432 | 47.3° | 59.4° |
| H402 | C40 | C43 | O46 | 70.9° | 55.0° |
| H402 | C40 | C43 | H431 | 49.1° | 64.0° |
| H402 | C40 | C43 | H432 | 167.8° | 174.2° |
| O46 | C43 | H431 | H432 | 121.3° | 117.8° |
| H431 | C43 | O46 | HO46 | 107.4° | 60.1° |
| H432 | C43 | O46 | HO46 | 133.9° | 58.2° |
