I05
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F96 | C76 | sing | 1.35Å | 1.33Å | |
| C76 | C75 | doub | 1.38Å | 1.36Å | Aromatic |
| C76 | C71 | sing | 1.40Å | 1.36Å | Aromatic |
| C75 | O95 | sing | 1.36Å | 1.37Å | |
| C75 | C74 | sing | 1.39Å | 1.39Å | Aromatic |
| O95 | C97 | sing | 1.43Å | 1.42Å | |
| C97 | H971 | sing | 1.09Å | 1.11Å | |
| C97 | H972 | sing | 1.09Å | 1.11Å | |
| C97 | H973 | sing | 1.09Å | 1.11Å | |
| C74 | C73 | doub | 1.38Å | 1.39Å | Aromatic |
| C74 | H74 | sing | 1.08Å | 1.10Å | |
| C73 | C72 | sing | 1.39Å | 1.41Å | Aromatic |
| C73 | H73 | sing | 1.08Å | 1.10Å | |
| C72 | O92 | sing | 1.36Å | 1.34Å | |
| C72 | C71 | doub | 1.40Å | 1.39Å | Aromatic |
| O92 | H92 | sing | 0.97Å | 0.95Å | |
| C71 | C61 | sing | 1.47Å | 1.50Å | |
| C61 | O62 | doub | 1.22Å | 1.22Å | |
| C61 | C54 | sing | 1.48Å | 1.47Å | |
| C54 | C55 | sing | 1.40Å | 1.37Å | Aromatic |
| C54 | C53 | doub | 1.40Å | 1.38Å | Aromatic |
| C55 | C56 | doub | 1.38Å | 1.41Å | Aromatic |
| C55 | H55 | sing | 1.08Å | 1.10Å | |
| C56 | C51 | sing | 1.38Å | 1.39Å | Aromatic |
| C56 | H56 | sing | 1.08Å | 1.10Å | |
| C53 | C52 | sing | 1.38Å | 1.39Å | Aromatic |
| C53 | H53 | sing | 1.08Å | 1.10Å | |
| C52 | C51 | doub | 1.38Å | 1.40Å | Aromatic |
| C52 | H52 | sing | 1.08Å | 1.10Å | |
| C51 | C42 | sing | 1.51Å | 1.53Å | |
| C42 | O41 | sing | 1.43Å | 1.41Å | |
| C42 | H421 | sing | 1.09Å | 1.11Å | |
| C42 | H422 | sing | 1.09Å | 1.12Å | |
| O41 | C37 | sing | 1.43Å | 1.42Å | |
| C37 | C36 | sing | 1.56Å | 1.51Å | |
| C37 | C31 | sing | 1.51Å | 1.54Å | |
| C37 | H37 | sing | 1.09Å | 1.12Å | |
| C36 | C35 | sing | 1.46Å | 1.52Å | |
| C36 | H361 | sing | 1.09Å | 1.11Å | |
| C36 | H362 | sing | 1.09Å | 1.12Å | |
| C35 | C34 | sing | 1.53Å | 1.51Å | |
| C35 | H351 | sing | 1.09Å | 1.12Å | |
| C35 | H352 | sing | 1.09Å | 1.12Å | |
| C34 | N33 | sing | 1.44Å | 1.44Å | |
| C34 | H341 | sing | 1.09Å | 1.12Å | |
| C34 | H342 | sing | 1.09Å | 1.12Å | |
| N33 | C32 | sing | 1.48Å | 1.44Å | |
| N33 | H33 | sing | 1.01Å | 1.02Å | |
| C32 | C31 | sing | 1.54Å | 1.54Å | |
| C32 | H321 | sing | 1.09Å | 1.11Å | |
| C32 | H322 | sing | 1.09Å | 1.11Å | |
| C31 | N23 | sing | 1.46Å | 1.46Å | |
| C31 | H31 | sing | 1.09Å | 1.12Å | |
| N23 | C21 | sing | 1.35Å | 1.33Å | |
| N23 | H23 | sing | 0.97Å | 1.02Å | |
| C21 | O22 | doub | 1.22Å | 1.23Å | |
| C21 | C14 | sing | 1.48Å | 1.51Å | |
| C14 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C12 | N11 | sing | 1.32Å | 1.32Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| N11 | C16 | doub | 1.32Å | 1.33Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F96 | C76 | C75 | 118.9° | 120.1° |
| F96 | C76 | C71 | 117.9° | 120.1° |
| C75 | C76 | C71 | 123.2° | 119.8° |
| C76 | C75 | O95 | 115.2° | 119.9° |
| C76 | C75 | C74 | 119.3° | 120.2° |
| C76 | C71 | C72 | 119.1° | 119.6° |
| C76 | C71 | C61 | 112.7° | 120.2° |
| O95 | C75 | C74 | 125.5° | 119.9° |
| C75 | O95 | C97 | 120.4° | 106.8° |
| C75 | C74 | C73 | 119.2° | 120.4° |
| C75 | C74 | H74 | 120.4° | 119.8° |
| O95 | C97 | H971 | 108.3° | 109.5° |
| O95 | C97 | H972 | 120.4° | 109.5° |
| O95 | C97 | H973 | 108.3° | 109.4° |
| H971 | C97 | H972 | 108.3° | 109.5° |
| H971 | C97 | H973 | 101.6° | 109.5° |
| H972 | C97 | H973 | 108.3° | 109.5° |
| C73 | C74 | H74 | 120.4° | 119.8° |
| C74 | C73 | C72 | 120.4° | 120.2° |
| C74 | C73 | H73 | 119.2° | 119.9° |
| C72 | C73 | H73 | 120.4° | 119.9° |
| C73 | C72 | O92 | 120.5° | 120.1° |
| C73 | C72 | C71 | 118.9° | 119.8° |
| O92 | C72 | C71 | 120.5° | 120.0° |
| C72 | O92 | H92 | 120.5° | 106.8° |
| C72 | C71 | C61 | 128.2° | 120.2° |
| C71 | C61 | O62 | 116.0° | 120.0° |
| C71 | C61 | C54 | 126.8° | 120.0° |
| O62 | C61 | C54 | 117.1° | 120.0° |
| C61 | C54 | C55 | 120.8° | 120.1° |
| C61 | C54 | C53 | 119.4° | 120.2° |
| C55 | C54 | C53 | 119.8° | 119.7° |
| C54 | C55 | C56 | 120.0° | 119.8° |
| C54 | C55 | H55 | 118.7° | 120.1° |
| C54 | C53 | C52 | 120.1° | 119.9° |
| C54 | C53 | H53 | 119.5° | 120.0° |
| C56 | C55 | H55 | 121.3° | 120.1° |
| C55 | C56 | C51 | 121.6° | 120.2° |
| C55 | C56 | H56 | 119.8° | 119.9° |
| C51 | C56 | H56 | 118.6° | 119.9° |
| C56 | C51 | C52 | 117.0° | 120.3° |
| C56 | C51 | C42 | 121.9° | 119.9° |
| C52 | C53 | H53 | 120.4° | 120.0° |
| C53 | C52 | C51 | 121.5° | 120.1° |
| C53 | C52 | H52 | 119.1° | 120.0° |
| C51 | C52 | H52 | 119.4° | 119.9° |
| C52 | C51 | C42 | 121.1° | 119.8° |
| C51 | C42 | O41 | 111.3° | 109.5° |
| C51 | C42 | H421 | 111.5° | 109.5° |
| C51 | C42 | H422 | 111.6° | 109.4° |
| O41 | C42 | H421 | 111.6° | 109.5° |
| O41 | C42 | H422 | 111.5° | 109.5° |
| C42 | O41 | C37 | 117.0° | 106.8° |
| H421 | C42 | H422 | 98.8° | 109.5° |
| O41 | C37 | C36 | 108.7° | 109.6° |
| O41 | C37 | C31 | 109.1° | 109.6° |
| O41 | C37 | H37 | 111.2° | 109.6° |
| C36 | C37 | C31 | 112.1° | 108.8° |
| C36 | C37 | H37 | 108.2° | 109.6° |
| C37 | C36 | C35 | 115.4° | 109.8° |
| C37 | C36 | H361 | 110.1° | 109.5° |
| C37 | C36 | H362 | 110.1° | 109.4° |
| C31 | C37 | H37 | 107.7° | 109.5° |
| C37 | C31 | C32 | 116.1° | 114.6° |
| C37 | C31 | N23 | 111.6° | 108.5° |
| C37 | C31 | H31 | 102.8° | 108.2° |
| C35 | C36 | H361 | 110.1° | 109.4° |
| C35 | C36 | H362 | 110.1° | 109.4° |
| C36 | C35 | C34 | 112.0° | 113.9° |
| C36 | C35 | H351 | 111.3° | 108.6° |
| C36 | C35 | H352 | 111.3° | 108.6° |
| H361 | C36 | H362 | 100.2° | 109.4° |
| C34 | C35 | H351 | 111.2° | 108.6° |
| C34 | C35 | H352 | 111.3° | 108.6° |
| C35 | C34 | N33 | 110.3° | 107.0° |
| C35 | C34 | H341 | 111.9° | 110.0° |
| C35 | C34 | H342 | 111.9° | 110.0° |
| H351 | C35 | H352 | 99.1° | 108.4° |
| N33 | C34 | H341 | 111.9° | 109.9° |
| N33 | C34 | H342 | 111.9° | 110.0° |
| C34 | N33 | C32 | 115.4° | 108.7° |
| C34 | N33 | H33 | 110.0° | 106.7° |
| H341 | C34 | H342 | 98.5° | 110.0° |
| C32 | N33 | H33 | 110.1° | 106.7° |
| N33 | C32 | C31 | 112.4° | 114.0° |
| N33 | C32 | H321 | 111.1° | 108.6° |
| N33 | C32 | H322 | 111.1° | 108.6° |
| C31 | C32 | H321 | 111.1° | 108.6° |
| C31 | C32 | H322 | 111.2° | 108.4° |
| C32 | C31 | N23 | 108.4° | 108.5° |
| C32 | C31 | H31 | 106.4° | 108.5° |
| H321 | C32 | H322 | 99.2° | 108.4° |
| N23 | C31 | H31 | 111.4° | 108.4° |
| C31 | N23 | C21 | 120.4° | 120.0° |
| C31 | N23 | H23 | 124.4° | 120.0° |
| C21 | N23 | H23 | 115.2° | 120.0° |
| N23 | C21 | O22 | 119.8° | 120.0° |
| N23 | C21 | C14 | 121.1° | 120.0° |
| O22 | C21 | C14 | 119.0° | 120.0° |
| C21 | C14 | C13 | 120.6° | 120.9° |
| C21 | C14 | C15 | 122.0° | 120.9° |
| C13 | C14 | C15 | 117.4° | 118.2° |
| C14 | C13 | C12 | 120.4° | 119.0° |
| C14 | C13 | H13 | 120.3° | 120.5° |
| C14 | C15 | C16 | 119.5° | 119.0° |
| C14 | C15 | H15 | 120.3° | 120.5° |
| C12 | C13 | H13 | 119.3° | 120.5° |
| C13 | C12 | N11 | 120.0° | 120.9° |
| C13 | C12 | H12 | 122.3° | 119.5° |
| N11 | C12 | H12 | 117.7° | 119.6° |
| C12 | N11 | C16 | 122.2° | 122.1° |
| N11 | C16 | C15 | 120.5° | 120.9° |
| N11 | C16 | H16 | 117.3° | 119.6° |
| C15 | C16 | H16 | 122.1° | 119.5° |
| C16 | C15 | H15 | 120.2° | 120.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F96 | C76 | C75 | C71 | 178.8° | 179.5° |
| F96 | C76 | C75 | O95 | 0.8° | 0.2° |
| F96 | C76 | C75 | C74 | 179.9° | 180.0° |
| F96 | C76 | C71 | C72 | 179.9° | 180.0° |
| F96 | C76 | C71 | C61 | 2.7° | 0.3° |
| C76 | C75 | O95 | C74 | 179.2° | 179.7° |
| C76 | C75 | O95 | C97 | 148.1° | 179.7° |
| C76 | C75 | C74 | C73 | 0.5° | 0.3° |
| C76 | C75 | C74 | H74 | 179.5° | 179.8° |
| C75 | C76 | C71 | C72 | 1.1° | 0.6° |
| C75 | C76 | C71 | C61 | 178.5° | 179.7° |
| C71 | C76 | C75 | O95 | 179.6° | 179.7° |
| C71 | C76 | C75 | C74 | 1.1° | 0.6° |
| C76 | C71 | C72 | C73 | 0.4° | 0.3° |
| C76 | C71 | C72 | O92 | 179.7° | 179.7° |
| C76 | C71 | C72 | C61 | 176.9° | 179.7° |
| C76 | C71 | C61 | O62 | 57.6° | 91.4° |
| C76 | C71 | C61 | C54 | 117.7° | 88.7° |
| C75 | O95 | C97 | H971 | 54.7° | 60.0° |
| C75 | O95 | C97 | H972 | 180.0° | 60.0° |
| C75 | O95 | C97 | H973 | 54.7° | 180.0° |
| O95 | C75 | C74 | C73 | 179.7° | 180.0° |
| O95 | C75 | C74 | H74 | 0.3° | 0.0° |
| C74 | C75 | O95 | C97 | 31.1° | 0.0° |
| C75 | C74 | C73 | H74 | 180.0° | 180.0° |
| C75 | C74 | C73 | C72 | 0.2° | 0.1° |
| C75 | C74 | C73 | H73 | 179.9° | 180.0° |
| O95 | C97 | H971 | H972 | 132.1° | 120.0° |
| O95 | C97 | H971 | H973 | 113.9° | 120.0° |
| O95 | C97 | H972 | H973 | 125.3° | 120.0° |
| H971 | C97 | H972 | H973 | 109.5° | 120.1° |
| C74 | C73 | C72 | H73 | 180.0° | 180.0° |
| C74 | C73 | C72 | O92 | 179.7° | 180.0° |
| C74 | C73 | C72 | C71 | 0.2° | 0.1° |
| H74 | C74 | C73 | C72 | 179.8° | 179.9° |
| H74 | C74 | C73 | H73 | 0.2° | 0.0° |
| C73 | C72 | O92 | C71 | 179.8° | 179.9° |
| C73 | C72 | O92 | H92 | 180.0° | 85.0° |
| C73 | C72 | C71 | C61 | 177.3° | 180.0° |
| H73 | C73 | C72 | O92 | 0.3° | 0.1° |
| H73 | C73 | C72 | C71 | 179.8° | 180.0° |
| O92 | C72 | C71 | C61 | 2.8° | 0.0° |
| C71 | C72 | O92 | H92 | 0.1° | 94.9° |
| C72 | C71 | C61 | O62 | 119.5° | 88.3° |
| C72 | C71 | C61 | C54 | 65.2° | 91.6° |
| C71 | C61 | O62 | C54 | 175.8° | 179.9° |
| C71 | C61 | C54 | C55 | 25.3° | 174.8° |
| C71 | C61 | C54 | C53 | 157.8° | 4.9° |
| O62 | C61 | C54 | C55 | 149.9° | 5.3° |
| O62 | C61 | C54 | C53 | 26.9° | 175.1° |
| C61 | C54 | C55 | C53 | 176.9° | 179.7° |
| C61 | C54 | C55 | C56 | 178.0° | 179.9° |
| C61 | C54 | C55 | H55 | 2.0° | 0.1° |
| C61 | C54 | C53 | C52 | 178.2° | 179.7° |
| C61 | C54 | C53 | H53 | 1.8° | 0.3° |
| C54 | C55 | C56 | H55 | 180.0° | 180.0° |
| C54 | C55 | C56 | C51 | 0.4° | 0.1° |
| C54 | C55 | C56 | H56 | 179.6° | 179.9° |
| C55 | C54 | C53 | C52 | 1.3° | 0.6° |
| C55 | C54 | C53 | H53 | 178.7° | 180.0° |
| C53 | C54 | C55 | C56 | 1.1° | 0.3° |
| C53 | C54 | C55 | H55 | 178.9° | 179.7° |
| C54 | C53 | C52 | H53 | 180.0° | 179.4° |
| C54 | C53 | C52 | C51 | 0.8° | 0.6° |
| C54 | C53 | C52 | H52 | 179.3° | 179.7° |
| C55 | C56 | C51 | H56 | 180.0° | 179.9° |
| C55 | C56 | C51 | C52 | 0.1° | 0.1° |
| C55 | C56 | C51 | C42 | 179.8° | 180.0° |
| H55 | C55 | C56 | C51 | 179.6° | 179.9° |
| H55 | C55 | C56 | H56 | 0.4° | 0.0° |
| C56 | C51 | C52 | C53 | 0.0° | 0.3° |
| C56 | C51 | C52 | C42 | 179.7° | 179.9° |
| C56 | C51 | C52 | H52 | 180.0° | 180.0° |
| C56 | C51 | C42 | O41 | 18.2° | 89.9° |
| C56 | C51 | C42 | H421 | 143.5° | 150.0° |
| C56 | C51 | C42 | H422 | 107.0° | 30.0° |
| H56 | C56 | C51 | C52 | 179.9° | 179.9° |
| H56 | C56 | C51 | C42 | 0.2° | 0.1° |
| C53 | C52 | C51 | H52 | 180.0° | 179.7° |
| C53 | C52 | C51 | C42 | 179.6° | 179.7° |
| H53 | C53 | C52 | C51 | 179.2° | 180.0° |
| H53 | C53 | C52 | H52 | 0.8° | 0.3° |
| C52 | C51 | C42 | O41 | 162.1° | 90.0° |
| C52 | C51 | C42 | H421 | 36.8° | 30.1° |
| C52 | C51 | C42 | H422 | 72.7° | 150.0° |
| H52 | C52 | C51 | C42 | 0.3° | 0.0° |
| C51 | C42 | O41 | H421 | 125.3° | 120.0° |
| C51 | C42 | O41 | H422 | 125.3° | 120.0° |
| C51 | C42 | H421 | H422 | 117.4° | 119.9° |
| C51 | C42 | O41 | C37 | 178.1° | 180.0° |
| O41 | C42 | H421 | H422 | 117.4° | 120.0° |
| C42 | O41 | C37 | C36 | 76.9° | 90.3° |
| C42 | O41 | C37 | C31 | 160.6° | 150.3° |
| C42 | O41 | C37 | H37 | 42.0° | 30.0° |
| H421 | C42 | O41 | C37 | 56.6° | 60.0° |
| H422 | C42 | O41 | C37 | 52.9° | 60.0° |
| O41 | C37 | C36 | C31 | 120.7° | 119.8° |
| O41 | C37 | C36 | H37 | 120.8° | 120.4° |
| O41 | C37 | C31 | H37 | 120.8° | 120.3° |
| O41 | C37 | C36 | C35 | 41.3° | 167.5° |
| O41 | C37 | C36 | H361 | 166.6° | 72.3° |
| O41 | C37 | C36 | H362 | 83.9° | 47.5° |
| O41 | C37 | C31 | C32 | 105.4° | 149.0° |
| O41 | C37 | C31 | N23 | 129.7° | 27.6° |
| O41 | C37 | C31 | H31 | 10.2° | 89.8° |
| C36 | C37 | C31 | H37 | 118.8° | 119.8° |
| C37 | C36 | C35 | H361 | 125.3° | 120.2° |
| C37 | C36 | C35 | H362 | 125.3° | 120.0° |
| C37 | C36 | H361 | H362 | 115.9° | 119.8° |
| C37 | C36 | C35 | C34 | 85.5° | 61.2° |
| C37 | C36 | C35 | H351 | 149.3° | 177.7° |
| C37 | C36 | C35 | H352 | 39.8° | 59.9° |
| C36 | C37 | C31 | C32 | 15.0° | 91.1° |
| C36 | C37 | C31 | N23 | 109.9° | 147.5° |
| C36 | C37 | C31 | H31 | 130.6° | 30.1° |
| C31 | C37 | C36 | C35 | 79.3° | 72.6° |
| C31 | C37 | C36 | H361 | 45.9° | 47.5° |
| C31 | C37 | C36 | H362 | 155.4° | 167.4° |
| C37 | C31 | C32 | N33 | 57.3° | 43.2° |
| C37 | C31 | C32 | N23 | 126.4° | 121.4° |
| C37 | C31 | C32 | H31 | 113.7° | 121.1° |
| C37 | C31 | C32 | H321 | 67.9° | 164.4° |
| C37 | C31 | C32 | H322 | 177.4° | 78.0° |
| C37 | C31 | N23 | H31 | 114.3° | 117.3° |
| C37 | C31 | N23 | C21 | 113.1° | 150.0° |
| C37 | C31 | N23 | H23 | 66.9° | 30.1° |
| H37 | C37 | C36 | C35 | 162.1° | 47.2° |
| H37 | C37 | C36 | H361 | 72.6° | 167.3° |
| H37 | C37 | C36 | H362 | 36.8° | 72.8° |
| H37 | C37 | C31 | C32 | 133.8° | 28.7° |
| H37 | C37 | C31 | N23 | 9.0° | 92.7° |
| H37 | C37 | C31 | H31 | 110.5° | 149.9° |
| C35 | C36 | H361 | H362 | 115.9° | 119.8° |
| C36 | C35 | C34 | H351 | 125.3° | 121.1° |
| C36 | C35 | C34 | H352 | 125.3° | 121.2° |
| C36 | C35 | H351 | H352 | 117.2° | 117.9° |
| C36 | C35 | C34 | N33 | 60.1° | 87.8° |
| C36 | C35 | C34 | H341 | 65.2° | 31.5° |
| C36 | C35 | C34 | H342 | 174.7° | 152.8° |
| H361 | C36 | C35 | C34 | 39.8° | 59.0° |
| H361 | C36 | C35 | H351 | 85.5° | 62.2° |
| H361 | C36 | C35 | H352 | 165.1° | 179.9° |
| H362 | C36 | C35 | C34 | 149.3° | 178.8° |
| H362 | C36 | C35 | H351 | 24.0° | 57.6° |
| H362 | C36 | C35 | H352 | 85.5° | 60.1° |
| C34 | C35 | H351 | H352 | 117.1° | 117.8° |
| C35 | C34 | N33 | H341 | 125.3° | 119.4° |
| C35 | C34 | N33 | H342 | 125.3° | 119.4° |
| C35 | C34 | H341 | H342 | 117.8° | 121.3° |
| C35 | C34 | N33 | C32 | 74.0° | 98.1° |
| C35 | C34 | N33 | H33 | 160.7° | 147.1° |
| H351 | C35 | C34 | N33 | 174.6° | 151.1° |
| H351 | C35 | C34 | H341 | 60.1° | 89.6° |
| H351 | C35 | C34 | H342 | 49.4° | 31.7° |
| H352 | C35 | C34 | N33 | 65.2° | 33.4° |
| H352 | C35 | C34 | H341 | 169.5° | 152.7° |
| H352 | C35 | C34 | H342 | 60.1° | 86.0° |
| N33 | C34 | H341 | H342 | 117.8° | 121.2° |
| C34 | N33 | C32 | H33 | 125.2° | 114.8° |
| C34 | N33 | C32 | C31 | 95.8° | 41.6° |
| C34 | N33 | C32 | H321 | 29.4° | 79.6° |
| C34 | N33 | C32 | H322 | 138.9° | 162.7° |
| H341 | C34 | N33 | C32 | 51.3° | 21.2° |
| H341 | C34 | N33 | H33 | 74.0° | 93.5° |
| H342 | C34 | N33 | C32 | 160.7° | 142.5° |
| H342 | C34 | N33 | H33 | 35.5° | 27.7° |
| N33 | C32 | C31 | H321 | 125.2° | 121.2° |
| N33 | C32 | C31 | H322 | 125.3° | 121.1° |
| N33 | C32 | H321 | H322 | 117.0° | 117.8° |
| N33 | C32 | C31 | N23 | 176.2° | 164.6° |
| N33 | C32 | C31 | H31 | 56.3° | 77.9° |
| H33 | N33 | C32 | C31 | 139.0° | 156.4° |
| H33 | N33 | C32 | H321 | 95.8° | 35.2° |
| H33 | N33 | C32 | H322 | 13.7° | 82.5° |
| C31 | C32 | H321 | H322 | 117.0° | 117.7° |
| C32 | C31 | N23 | H31 | 116.7° | 117.6° |
| C32 | C31 | N23 | C21 | 117.9° | 85.0° |
| C32 | C31 | N23 | H23 | 62.1° | 94.9° |
| H321 | C32 | C31 | N23 | 58.5° | 74.2° |
| H321 | C32 | C31 | H31 | 178.4° | 43.3° |
| H322 | C32 | C31 | N23 | 50.9° | 43.4° |
| H322 | C32 | C31 | H31 | 68.9° | 161.0° |
| C31 | N23 | C21 | H23 | 180.0° | 179.9° |
| C31 | N23 | C21 | O22 | 5.9° | 0.1° |
| C31 | N23 | C21 | C14 | 174.3° | 180.0° |
| H31 | C31 | N23 | C21 | 1.2° | 32.7° |
| H31 | C31 | N23 | H23 | 178.8° | 147.4° |
| N23 | C21 | O22 | C14 | 179.8° | 180.0° |
| N23 | C21 | C14 | C13 | 175.2° | 179.9° |
| N23 | C21 | C14 | C15 | 3.8° | 0.3° |
| H23 | N23 | C21 | O22 | 174.1° | 179.9° |
| H23 | N23 | C21 | C14 | 5.7° | 0.1° |
| O22 | C21 | C14 | C13 | 4.9° | 0.0° |
| O22 | C21 | C14 | C15 | 176.0° | 179.7° |
| C21 | C14 | C13 | C15 | 179.1° | 179.8° |
| C21 | C14 | C13 | C12 | 179.2° | 180.0° |
| C21 | C14 | C13 | H13 | 0.8° | 0.0° |
| C21 | C14 | C15 | C16 | 178.6° | 179.8° |
| C21 | C14 | C15 | H15 | 1.5° | 0.3° |
| C14 | C13 | C12 | H13 | 180.0° | 179.9° |
| C14 | C13 | C12 | N11 | 0.6° | 0.1° |
| C14 | C13 | C12 | H12 | 179.4° | 180.0° |
| C13 | C14 | C15 | C16 | 0.5° | 0.5° |
| C13 | C14 | C15 | H15 | 179.4° | 180.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.2° |
| C15 | C14 | C13 | H13 | 179.9° | 179.7° |
| C14 | C15 | C16 | N11 | 0.6° | 0.5° |
| C14 | C15 | C16 | H15 | 180.0° | 179.5° |
| C14 | C15 | C16 | H16 | 179.5° | 179.7° |
| C13 | C12 | N11 | H12 | 180.0° | 179.9° |
| C13 | C12 | N11 | C16 | 0.6° | 0.1° |
| H13 | C13 | C12 | N11 | 179.4° | 180.0° |
| H13 | C13 | C12 | H12 | 0.6° | 0.1° |
| C12 | N11 | C16 | C15 | 0.0° | 0.2° |
| C12 | N11 | C16 | H16 | 180.0° | 180.0° |
| H12 | C12 | N11 | C16 | 179.4° | 180.0° |
| N11 | C16 | C15 | H16 | 180.0° | 179.8° |
| N11 | C16 | C15 | H15 | 179.4° | 180.0° |
| H16 | C16 | C15 | H15 | 0.6° | 0.2° |
