T19
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C3 | sing | 1.53Å | 1.52Å | |
| C1 | H11A | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22A | sing | 1.09Å | 1.10Å | |
| C2 | H23A | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | B | sing | 1.57Å | 1.56Å | |
| C4 | N5 | sing | 1.46Å | 1.50Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| B | O1A | sing | 1.42Å | 1.38Å | |
| B | O1B | sing | 1.42Å | 1.36Å | |
| O1A | HOA | sing | 0.97Å | 0.95Å | |
| O1B | HOB | sing | 0.97Å | 0.95Å | |
| N5 | C6 | sing | 1.35Å | 1.27Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| O6 | C6 | doub | 1.22Å | 1.59Å | |
| C6 | C7 | sing | 1.47Å | 1.49Å | |
| C7 | C7A | doub | 1.37Å | 1.66Å | Aromatic |
| C7 | N8 | sing | 1.38Å | 1.61Å | Aromatic |
| C7A | C7B | sing | 1.40Å | 1.71Å | Aromatic |
| C7A | H7A | sing | 1.08Å | 1.08Å | |
| C7B | C7C | doub | 1.35Å | 1.63Å | Aromatic |
| C7B | H7B | sing | 1.08Å | 1.08Å | |
| C7C | N8 | sing | 1.36Å | 1.58Å | Aromatic |
| C7C | H7C | sing | 1.08Å | 1.08Å | |
| N8 | C9 | sing | 1.35Å | 1.33Å | |
| C9 | O9 | doub | 1.21Å | 1.43Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.57Å | |
| C10 | N12 | sing | 1.46Å | 1.44Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | C21 | sing | 1.51Å | 1.55Å | |
| C11 | C31 | sing | 1.51Å | 1.54Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | C26 | sing | 1.38Å | 1.47Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.44Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | doub | 1.38Å | 1.44Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | sing | 1.38Å | 1.43Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | doub | 1.38Å | 1.45Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C31 | C32 | doub | 1.38Å | 1.45Å | Aromatic |
| C31 | C36 | sing | 1.38Å | 1.42Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.47Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | C34 | doub | 1.38Å | 1.46Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | C35 | sing | 1.38Å | 1.43Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | C36 | doub | 1.38Å | 1.46Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| N12 | C13 | sing | 1.35Å | 1.49Å | |
| N12 | HN2 | sing | 0.97Å | 1.00Å | |
| O13 | C13 | doub | 1.21Å | 1.25Å | |
| C13 | O14 | sing | 1.35Å | 1.35Å | |
| O14 | C15 | sing | 1.45Å | 1.40Å | |
| C15 | C41 | sing | 1.51Å | 1.53Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C41 | C42 | doub | 1.38Å | 1.39Å | Aromatic |
| C41 | C46 | sing | 1.38Å | 1.40Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.40Å | Aromatic |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C43 | C44 | doub | 1.38Å | 1.40Å | Aromatic |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C44 | C45 | sing | 1.38Å | 1.40Å | Aromatic |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| C45 | C46 | doub | 1.38Å | 1.40Å | Aromatic |
| C45 | H45 | sing | 1.08Å | 1.08Å | |
| C46 | H46 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C1 | H11A | 109.5° | 109.5° |
| C3 | C1 | H12 | 109.5° | 109.5° |
| C3 | C1 | H13 | 109.5° | 109.4° |
| C1 | C3 | C2 | 104.9° | 109.5° |
| C1 | C3 | C4 | 117.8° | 109.5° |
| C1 | C3 | H3 | 107.8° | 109.5° |
| H11A | C1 | H12 | 109.4° | 109.5° |
| H11A | C1 | H13 | 109.4° | 109.4° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| C3 | C2 | H21 | 109.5° | 109.5° |
| C3 | C2 | H22A | 109.5° | 109.4° |
| C3 | C2 | H23A | 109.5° | 109.5° |
| C2 | C3 | C4 | 111.5° | 109.5° |
| C2 | C3 | H3 | 114.6° | 109.4° |
| H21 | C2 | H22A | 109.5° | 109.4° |
| H21 | C2 | H23A | 109.4° | 109.5° |
| H22A | C2 | H23A | 109.5° | 109.5° |
| C4 | C3 | H3 | 100.7° | 109.5° |
| C3 | C4 | B | 113.0° | 109.5° |
| C3 | C4 | N5 | 106.3° | 109.5° |
| C3 | C4 | H4 | 109.4° | 109.5° |
| B | C4 | N5 | 109.7° | 109.4° |
| B | C4 | H4 | 106.0° | 109.4° |
| C4 | B | O1A | 109.0° | 120.0° |
| C4 | B | O1B | 112.4° | 120.0° |
| N5 | C4 | H4 | 112.6° | 109.5° |
| C4 | N5 | C6 | 124.8° | 120.0° |
| C4 | N5 | HN5 | 117.6° | 120.0° |
| O1A | B | O1B | 108.7° | 120.0° |
| B | O1A | HOA | 109.5° | 114.0° |
| B | O1B | HOB | 109.5° | 114.0° |
| C6 | N5 | HN5 | 117.6° | 120.0° |
| N5 | C6 | O6 | 108.4° | 120.0° |
| N5 | C6 | C7 | 131.1° | 120.0° |
| O6 | C6 | C7 | 116.6° | 120.0° |
| C6 | C7 | C7A | 110.4° | 126.2° |
| C6 | C7 | N8 | 113.6° | 126.2° |
| C7A | C7 | N8 | 100.0° | 107.7° |
| C7 | C7A | C7B | 104.2° | 107.4° |
| C7 | C7A | H7A | 127.9° | 126.3° |
| C7 | N8 | C7C | 123.3° | 108.4° |
| C7 | N8 | C9 | 115.1° | 125.8° |
| C7B | C7A | H7A | 127.9° | 126.3° |
| C7A | C7B | C7C | 113.3° | 108.0° |
| C7A | C7B | H7B | 123.3° | 126.0° |
| C7C | C7B | H7B | 123.3° | 126.0° |
| C7B | C7C | N8 | 95.8° | 108.6° |
| C7B | C7C | H7C | 132.1° | 125.8° |
| N8 | C7C | H7C | 132.1° | 125.7° |
| C7C | N8 | C9 | 121.0° | 125.8° |
| N8 | C9 | O9 | 122.2° | 120.0° |
| N8 | C9 | C10 | 126.6° | 120.1° |
| O9 | C9 | C10 | 111.2° | 120.0° |
| C9 | C10 | C11 | 114.1° | 109.4° |
| C9 | C10 | N12 | 111.0° | 109.5° |
| C9 | C10 | H10 | 103.8° | 109.4° |
| C11 | C10 | N12 | 104.6° | 109.5° |
| C11 | C10 | H10 | 110.2° | 109.5° |
| C10 | C11 | C21 | 111.9° | 109.4° |
| C10 | C11 | C31 | 114.1° | 109.5° |
| C10 | C11 | H11 | 103.9° | 109.5° |
| N12 | C10 | H10 | 113.4° | 109.5° |
| C10 | N12 | C13 | 125.5° | 120.0° |
| C10 | N12 | HN2 | 117.2° | 120.0° |
| C21 | C11 | C31 | 107.9° | 109.5° |
| C21 | C11 | H11 | 110.6° | 109.4° |
| C11 | C21 | C22 | 118.6° | 120.0° |
| C11 | C21 | C26 | 119.8° | 120.0° |
| C31 | C11 | H11 | 108.2° | 109.5° |
| C11 | C31 | C32 | 125.0° | 120.0° |
| C11 | C31 | C36 | 117.3° | 120.0° |
| C22 | C21 | C26 | 121.5° | 120.0° |
| C21 | C22 | C23 | 119.2° | 120.0° |
| C21 | C22 | H22 | 120.4° | 120.0° |
| C21 | C26 | C25 | 118.6° | 120.0° |
| C21 | C26 | H26 | 120.7° | 120.0° |
| C23 | C22 | H22 | 120.4° | 120.0° |
| C22 | C23 | C24 | 120.7° | 120.0° |
| C22 | C23 | H23 | 119.7° | 120.0° |
| C24 | C23 | H23 | 119.6° | 120.0° |
| C23 | C24 | C25 | 120.4° | 120.0° |
| C23 | C24 | H24 | 119.8° | 120.1° |
| C25 | C24 | H24 | 119.8° | 120.0° |
| C24 | C25 | C26 | 119.7° | 120.0° |
| C24 | C25 | H25 | 120.2° | 120.0° |
| C26 | C25 | H25 | 120.1° | 119.9° |
| C25 | C26 | H26 | 120.7° | 120.0° |
| C32 | C31 | C36 | 117.6° | 120.0° |
| C31 | C32 | C33 | 121.7° | 120.0° |
| C31 | C32 | H32 | 119.2° | 120.0° |
| C31 | C36 | C35 | 121.5° | 120.0° |
| C31 | C36 | H36 | 119.2° | 120.0° |
| C33 | C32 | H32 | 119.1° | 120.0° |
| C32 | C33 | C34 | 119.5° | 120.0° |
| C32 | C33 | H33 | 120.3° | 120.0° |
| C34 | C33 | H33 | 120.3° | 120.0° |
| C33 | C34 | C35 | 118.2° | 120.0° |
| C33 | C34 | H34 | 120.9° | 120.0° |
| C35 | C34 | H34 | 120.9° | 120.0° |
| C34 | C35 | C36 | 121.4° | 120.0° |
| C34 | C35 | H35 | 119.3° | 120.0° |
| C36 | C35 | H35 | 119.3° | 120.0° |
| C35 | C36 | H36 | 119.2° | 120.0° |
| C13 | N12 | HN2 | 117.3° | 120.0° |
| N12 | C13 | O13 | 112.2° | 120.0° |
| N12 | C13 | O14 | 106.3° | 120.0° |
| O13 | C13 | O14 | 135.7° | 120.0° |
| C13 | O14 | C15 | 106.1° | 117.0° |
| O14 | C15 | C41 | 108.6° | 109.5° |
| O14 | C15 | H151 | 109.8° | 109.5° |
| O14 | C15 | H152 | 109.8° | 109.4° |
| C41 | C15 | H151 | 109.8° | 109.5° |
| C41 | C15 | H152 | 109.8° | 109.5° |
| C15 | C41 | C42 | 120.7° | 120.0° |
| C15 | C41 | C46 | 118.1° | 120.0° |
| H151 | C15 | H152 | 109.2° | 109.5° |
| C42 | C41 | C46 | 121.1° | 120.0° |
| C41 | C42 | C43 | 118.6° | 120.0° |
| C41 | C42 | H42 | 120.7° | 120.0° |
| C41 | C46 | C45 | 119.9° | 120.0° |
| C41 | C46 | H46 | 120.1° | 120.0° |
| C43 | C42 | H42 | 120.7° | 120.0° |
| C42 | C43 | C44 | 120.7° | 120.0° |
| C42 | C43 | H43 | 119.6° | 120.0° |
| C44 | C43 | H43 | 119.6° | 120.0° |
| C43 | C44 | C45 | 120.0° | 120.1° |
| C43 | C44 | H44 | 120.0° | 120.0° |
| C45 | C44 | H44 | 120.0° | 120.0° |
| C44 | C45 | C46 | 119.7° | 119.9° |
| C44 | C45 | H45 | 120.1° | 120.1° |
| C46 | C45 | H45 | 120.2° | 120.0° |
| C45 | C46 | H46 | 120.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C1 | H11A | H12 | 120.0° | 120.0° |
| C3 | C1 | H11A | H13 | 120.0° | 119.9° |
| C3 | C1 | H12 | H13 | 120.0° | 120.0° |
| C1 | C3 | C2 | C4 | 128.5° | 120.0° |
| C1 | C3 | C2 | H3 | 118.0° | 119.9° |
| C1 | C3 | C2 | H21 | 180.0° | 55.1° |
| C1 | C3 | C2 | H22A | 60.0° | 175.0° |
| C1 | C3 | C2 | H23A | 60.0° | 65.0° |
| C1 | C3 | C4 | H3 | 116.8° | 120.0° |
| C1 | C3 | C4 | B | 45.2° | 59.7° |
| C1 | C3 | C4 | N5 | 165.6° | 179.7° |
| C1 | C3 | C4 | H4 | 72.5° | 60.3° |
| H11A | C1 | H12 | H13 | 119.9° | 120.0° |
| H11A | C1 | C3 | C2 | 180.0° | 59.9° |
| H11A | C1 | C3 | C4 | 55.4° | 179.9° |
| H11A | C1 | C3 | H3 | 57.5° | 60.0° |
| H12 | C1 | C3 | C2 | 60.0° | 180.0° |
| H12 | C1 | C3 | C4 | 64.6° | 60.0° |
| H12 | C1 | C3 | H3 | 177.5° | 60.1° |
| H13 | C1 | C3 | C2 | 60.0° | 60.0° |
| H13 | C1 | C3 | C4 | 175.4° | 60.0° |
| H13 | C1 | C3 | H3 | 62.5° | 179.9° |
| C3 | C2 | H21 | H22A | 120.0° | 119.9° |
| C3 | C2 | H21 | H23A | 120.0° | 120.1° |
| C3 | C2 | H22A | H23A | 120.0° | 120.1° |
| C2 | C3 | C4 | H3 | 121.9° | 120.0° |
| C2 | C3 | C4 | B | 166.5° | 179.7° |
| C2 | C3 | C4 | N5 | 73.1° | 60.3° |
| C2 | C3 | C4 | H4 | 48.8° | 59.7° |
| H21 | C2 | H22A | H23A | 120.0° | 120.0° |
| H21 | C2 | C3 | C4 | 51.4° | 65.0° |
| H21 | C2 | C3 | H3 | 62.1° | 175.0° |
| H22A | C2 | C3 | C4 | 171.5° | 54.9° |
| H22A | C2 | C3 | H3 | 58.0° | 65.1° |
| H23A | C2 | C3 | C4 | 68.5° | 175.0° |
| H23A | C2 | C3 | H3 | 178.0° | 55.0° |
| C3 | C4 | B | N5 | 118.4° | 120.0° |
| C3 | C4 | B | H4 | 119.7° | 120.0° |
| C3 | C4 | N5 | H4 | 119.8° | 120.1° |
| C3 | C4 | B | O1A | 138.1° | 65.1° |
| C3 | C4 | B | O1B | 101.3° | 114.9° |
| C3 | C4 | N5 | C6 | 177.5° | 135.0° |
| C3 | C4 | N5 | HN5 | 2.6° | 45.0° |
| H3 | C3 | C4 | B | 71.5° | 60.3° |
| H3 | C3 | C4 | N5 | 48.8° | 59.7° |
| H3 | C3 | C4 | H4 | 170.7° | 179.7° |
| B | C4 | N5 | H4 | 117.8° | 119.9° |
| C4 | B | O1A | O1B | 122.9° | 180.0° |
| C4 | B | O1A | HOA | 52.8° | 0.0° |
| C4 | B | O1B | HOB | 61.9° | 5.1° |
| B | C4 | N5 | C6 | 55.0° | 105.0° |
| B | C4 | N5 | HN5 | 125.0° | 75.0° |
| N5 | C4 | B | O1A | 103.6° | 55.0° |
| N5 | C4 | B | O1B | 17.1° | 125.1° |
| C4 | N5 | C6 | HN5 | 180.0° | 180.0° |
| C4 | N5 | C6 | O6 | 14.3° | 5.4° |
| C4 | N5 | C6 | C7 | 170.7° | 174.6° |
| H4 | C4 | B | O1A | 18.3° | 174.9° |
| H4 | C4 | B | O1B | 139.0° | 5.1° |
| H4 | C4 | N5 | C6 | 62.8° | 14.9° |
| H4 | C4 | N5 | HN5 | 117.2° | 165.1° |
| O1A | B | O1B | HOB | 58.9° | 174.9° |
| O1B | B | O1A | HOA | 70.1° | 180.0° |
| N5 | C6 | O6 | C7 | 160.3° | 180.0° |
| N5 | C6 | C7 | C7A | 116.1° | 173.7° |
| N5 | C6 | C7 | N8 | 132.5° | 6.6° |
| HN5 | N5 | C6 | O6 | 165.6° | 174.6° |
| HN5 | N5 | C6 | C7 | 9.3° | 5.4° |
| O6 | C6 | C7 | C7A | 89.1° | 6.3° |
| O6 | C6 | C7 | N8 | 22.3° | 173.4° |
| C6 | C7 | C7A | N8 | 119.9° | 179.8° |
| C6 | C7 | C7A | C7B | 130.9° | 180.0° |
| C6 | C7 | C7A | H7A | 49.1° | 0.1° |
| C6 | C7 | N8 | C7C | 118.4° | 179.8° |
| C6 | C7 | N8 | C9 | 53.0° | 0.0° |
| C7 | C7A | C7B | H7A | 180.0° | 179.9° |
| C7 | C7A | C7B | C7C | 19.1° | 0.1° |
| C7 | C7A | C7B | H7B | 160.9° | 179.9° |
| C7A | C7 | N8 | C7C | 0.8° | 0.4° |
| C7A | C7 | N8 | C9 | 170.6° | 179.8° |
| N8 | C7 | C7A | C7B | 10.9° | 0.3° |
| N8 | C7 | C7A | H7A | 169.1° | 179.8° |
| C7 | N8 | C7C | C7B | 10.0° | 0.4° |
| C7 | N8 | C7C | C9 | 171.0° | 179.8° |
| C7 | N8 | C7C | H7C | 170.0° | 179.8° |
| C7 | N8 | C9 | O9 | 2.5° | 101.8° |
| C7 | N8 | C9 | C10 | 178.6° | 78.2° |
| C7A | C7B | C7C | H7B | 180.0° | 179.9° |
| C7A | C7B | C7C | N8 | 16.8° | 0.2° |
| C7A | C7B | C7C | H7C | 163.2° | 180.0° |
| H7A | C7A | C7B | C7C | 160.9° | 180.0° |
| H7A | C7A | C7B | H7B | 19.1° | 0.2° |
| C7B | C7C | N8 | H7C | 180.0° | 179.9° |
| C7B | C7C | N8 | C9 | 179.1° | 179.8° |
| H7B | C7B | C7C | N8 | 163.2° | 179.7° |
| H7B | C7B | C7C | H7C | 16.8° | 0.2° |
| C7C | N8 | C9 | O9 | 174.2° | 78.4° |
| C7C | N8 | C9 | C10 | 9.7° | 101.6° |
| H7C | C7C | N8 | C9 | 0.9° | 0.1° |
| N8 | C9 | O9 | C10 | 176.6° | 180.0° |
| N8 | C9 | C10 | C11 | 103.0° | 81.7° |
| N8 | C9 | C10 | N12 | 139.1° | 158.3° |
| N8 | C9 | C10 | H10 | 16.9° | 38.3° |
| O9 | C9 | C10 | C11 | 73.4° | 98.3° |
| O9 | C9 | C10 | N12 | 44.5° | 21.7° |
| O9 | C9 | C10 | H10 | 166.6° | 141.7° |
| C9 | C10 | C11 | N12 | 121.5° | 120.0° |
| C9 | C10 | C11 | H10 | 116.3° | 119.9° |
| C9 | C10 | N12 | H10 | 116.4° | 119.9° |
| C9 | C10 | C11 | C21 | 64.7° | 179.0° |
| C9 | C10 | C11 | C31 | 172.4° | 60.9° |
| C9 | C10 | C11 | H11 | 54.7° | 59.1° |
| C9 | C10 | N12 | C13 | 121.2° | 155.0° |
| C9 | C10 | N12 | HN2 | 58.7° | 25.0° |
| C11 | C10 | N12 | H10 | 120.1° | 120.1° |
| C10 | C11 | C21 | C31 | 126.4° | 120.1° |
| C10 | C11 | C21 | H11 | 115.4° | 120.0° |
| C10 | C11 | C31 | H11 | 115.2° | 120.0° |
| C10 | C11 | C21 | C22 | 131.4° | 111.6° |
| C10 | C11 | C21 | C26 | 46.4° | 68.2° |
| C10 | C11 | C31 | C32 | 39.3° | 131.6° |
| C10 | C11 | C31 | C36 | 137.1° | 48.6° |
| C11 | C10 | N12 | C13 | 115.3° | 85.0° |
| C11 | C10 | N12 | HN2 | 64.8° | 95.0° |
| N12 | C10 | C11 | C21 | 173.9° | 59.0° |
| N12 | C10 | C11 | C31 | 50.9° | 179.0° |
| N12 | C10 | C11 | H11 | 66.7° | 60.9° |
| C10 | N12 | C13 | HN2 | 180.0° | 180.0° |
| C10 | N12 | C13 | O13 | 15.0° | 0.1° |
| C10 | N12 | C13 | O14 | 172.8° | 180.0° |
| H10 | C10 | C11 | C21 | 51.7° | 61.0° |
| H10 | C10 | C11 | C31 | 71.3° | 59.0° |
| H10 | C10 | C11 | H11 | 171.0° | 179.0° |
| H10 | C10 | N12 | C13 | 4.9° | 35.1° |
| H10 | C10 | N12 | HN2 | 175.1° | 144.9° |
| C21 | C11 | C31 | H11 | 119.8° | 120.0° |
| C11 | C21 | C22 | C26 | 177.8° | 179.8° |
| C11 | C21 | C22 | C23 | 177.3° | 180.0° |
| C11 | C21 | C22 | H22 | 2.7° | 0.0° |
| C11 | C21 | C26 | C25 | 177.4° | 179.8° |
| C11 | C21 | C26 | H26 | 2.7° | 0.0° |
| C21 | C11 | C31 | C32 | 85.8° | 108.4° |
| C21 | C11 | C31 | C36 | 97.8° | 71.4° |
| C31 | C11 | C21 | C22 | 102.2° | 128.3° |
| C31 | C11 | C21 | C26 | 80.0° | 51.9° |
| C11 | C31 | C32 | C36 | 176.4° | 179.8° |
| C11 | C31 | C32 | C33 | 176.7° | 179.9° |
| C11 | C31 | C32 | H32 | 3.3° | 0.0° |
| C11 | C31 | C36 | C35 | 176.9° | 179.8° |
| C11 | C31 | C36 | H36 | 3.0° | 0.1° |
| H11 | C11 | C21 | C22 | 16.1° | 8.3° |
| H11 | C11 | C21 | C26 | 161.8° | 171.9° |
| H11 | C11 | C31 | C32 | 154.5° | 11.6° |
| H11 | C11 | C31 | C36 | 22.0° | 168.6° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.3° | NaN° |
| C21 | C22 | C23 | H23 | 179.8° | 180.0° |
| C22 | C21 | C26 | C25 | 0.4° | 0.4° |
| C22 | C21 | C26 | H26 | 179.5° | 179.8° |
| C26 | C21 | C22 | C23 | 0.5° | 0.2° |
| C26 | C21 | C22 | H22 | 179.5° | 179.8° |
| C21 | C26 | C25 | C24 | 0.5° | 0.4° |
| C21 | C26 | C25 | H26 | 180.0° | 179.8° |
| C21 | C26 | C25 | H25 | 179.6° | 179.8° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 1.1° | 0.0° |
| C22 | C23 | C24 | H24 | 178.9° | 179.9° |
| H22 | C22 | C23 | C24 | 179.7° | 180.0° |
| H22 | C22 | C23 | H23 | 0.2° | 0.0° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 1.2° | 0.2° |
| C23 | C24 | C25 | H25 | 178.8° | 180.0° |
| H23 | C23 | C24 | C25 | 178.9° | 180.0° |
| H23 | C23 | C24 | H24 | 1.1° | 0.1° |
| C24 | C25 | C26 | H25 | 180.0° | 179.8° |
| C24 | C25 | C26 | H26 | 179.6° | 179.8° |
| H24 | C24 | C25 | C26 | 178.8° | 179.9° |
| H24 | C24 | C25 | H25 | 1.2° | 0.1° |
| H25 | C25 | C26 | H26 | 0.4° | 0.0° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 1.5° | 0.0° |
| C31 | C32 | C33 | H33 | 178.5° | 180.0° |
| C32 | C31 | C36 | C35 | 0.2° | 0.4° |
| C32 | C31 | C36 | H36 | 179.7° | 179.7° |
| C36 | C31 | C32 | C33 | 0.3° | 0.2° |
| C36 | C31 | C32 | H32 | 179.7° | 179.8° |
| C31 | C36 | C35 | C34 | 1.5° | 0.4° |
| C31 | C36 | C35 | H36 | 180.0° | 179.8° |
| C31 | C36 | C35 | H35 | 178.5° | 179.7° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 2.6° | 0.0° |
| C32 | C33 | C34 | H34 | 177.4° | 180.0° |
| H32 | C32 | C33 | C34 | 178.5° | 180.0° |
| H32 | C32 | C33 | H33 | 1.5° | 0.0° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 2.6° | 0.2° |
| C33 | C34 | C35 | H35 | 177.4° | 179.9° |
| H33 | C33 | C34 | C35 | 177.4° | 180.0° |
| H33 | C33 | C34 | H34 | 2.5° | 0.0° |
| C34 | C35 | C36 | H35 | 180.0° | 179.9° |
| C34 | C35 | C36 | H36 | 178.5° | 179.7° |
| H34 | C34 | C35 | C36 | 177.4° | 179.8° |
| H34 | C34 | C35 | H35 | 2.6° | 0.1° |
| H35 | C35 | C36 | H36 | 1.5° | 0.1° |
| N12 | C13 | O13 | O14 | 148.7° | 179.9° |
| N12 | C13 | O14 | C15 | 175.2° | 179.9° |
| HN2 | N12 | C13 | O13 | 164.9° | 180.0° |
| HN2 | N12 | C13 | O14 | 7.1° | 0.0° |
| O13 | C13 | O14 | C15 | 25.3° | 0.0° |
| C13 | O14 | C15 | C41 | 84.5° | 180.0° |
| C13 | O14 | C15 | H151 | 155.5° | 60.0° |
| C13 | O14 | C15 | H152 | 35.5° | 60.0° |
| O14 | C15 | C41 | H151 | 120.0° | 120.0° |
| O14 | C15 | C41 | H152 | 120.0° | 119.9° |
| O14 | C15 | H151 | H152 | 120.4° | 120.0° |
| O14 | C15 | C41 | C42 | 103.2° | 90.1° |
| O14 | C15 | C41 | C46 | 80.0° | 90.3° |
| C41 | C15 | H151 | H152 | 120.4° | 120.0° |
| C15 | C41 | C42 | C46 | 176.7° | 179.7° |
| C15 | C41 | C42 | C43 | 176.4° | 180.0° |
| C15 | C41 | C42 | H42 | 3.6° | 0.1° |
| C15 | C41 | C46 | C45 | 176.3° | 179.8° |
| C15 | C41 | C46 | H46 | 3.7° | 0.0° |
| H151 | C15 | C41 | C42 | 16.8° | 29.9° |
| H151 | C15 | C41 | C46 | 160.0° | 149.7° |
| H152 | C15 | C41 | C42 | 136.8° | 150.0° |
| H152 | C15 | C41 | C46 | 40.0° | 29.7° |
| C41 | C42 | C43 | H42 | 180.0° | 179.9° |
| C41 | C42 | C43 | C44 | 0.1° | 0.1° |
| C41 | C42 | C43 | H43 | 179.9° | 179.9° |
| C42 | C41 | C46 | C45 | 0.5° | 0.5° |
| C42 | C41 | C46 | H46 | 179.5° | 179.7° |
| C46 | C41 | C42 | C43 | 0.4° | 0.4° |
| C46 | C41 | C42 | H42 | 179.6° | 179.7° |
| C41 | C46 | C45 | C44 | 0.4° | 0.5° |
| C41 | C46 | C45 | H46 | 180.0° | 179.8° |
| C41 | C46 | C45 | H45 | 179.6° | 179.7° |
| C42 | C43 | C44 | H43 | 180.0° | 180.0° |
| C42 | C43 | C44 | C45 | 0.0° | 0.0° |
| C42 | C43 | C44 | H44 | 180.0° | 180.0° |
| H42 | C42 | C43 | C44 | 179.9° | 180.0° |
| H42 | C42 | C43 | H43 | 0.1° | 0.0° |
| C43 | C44 | C45 | H44 | 180.0° | 180.0° |
| C43 | C44 | C45 | C46 | 0.2° | 0.2° |
| C43 | C44 | C45 | H45 | 179.9° | 180.0° |
| H43 | C43 | C44 | C45 | 180.0° | 180.0° |
| H43 | C43 | C44 | H44 | 0.0° | 0.1° |
| C44 | C45 | C46 | H45 | 180.0° | 179.8° |
| C44 | C45 | C46 | H46 | 179.6° | 179.8° |
| H44 | C44 | C45 | C46 | 179.9° | 179.8° |
| H44 | C44 | C45 | H45 | 0.1° | 0.0° |
| H45 | C45 | C46 | H46 | 0.4° | 0.1° |
