A1L31
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | doub | 1.22Å | 1.23Å | |
| C2 | N3 | sing | 1.35Å | 1.34Å | |
| N3 | C4 | sing | 1.46Å | 1.45Å | |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| C5 | N6 | sing | 1.35Å | 1.31Å | |
| C5 | S7 | doub | 1.60Å | 1.67Å | |
| C2 | C8 | sing | 1.48Å | 1.50Å | |
| C8 | C9 | doub | 1.39Å | 1.37Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | N11 | sing | 1.39Å | 1.37Å | |
| N11 | C12 | sing | 1.48Å | 1.47Å | |
| C12 | C13 | sing | 1.54Å | 1.54Å | |
| C13 | C14 | sing | 1.51Å | 1.49Å | |
| C14 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.42Å | 1.50Å | |
| C16 | N17 | sing | 1.35Å | 1.34Å | |
| N17 | C18 | sing | 1.47Å | 1.46Å | |
| N17 | C19 | sing | 1.46Å | 1.46Å | |
| C16 | O20 | doub | 1.22Å | 1.22Å | |
| C15 | N21 | sing | 1.38Å | 1.40Å | Aromatic |
| N21 | C22 | sing | 1.36Å | 1.38Å | Aromatic |
| C22 | C23 | doub | 1.35Å | 1.33Å | Aromatic |
| C23 | F24 | sing | 1.35Å | 1.35Å | |
| C23 | C25 | sing | 1.40Å | 1.42Å | Aromatic |
| C25 | C26 | doub | 1.36Å | 1.35Å | Aromatic |
| N21 | C27 | sing | 1.36Å | 1.39Å | Aromatic |
| C27 | N28 | doub | 1.33Å | 1.33Å | Aromatic |
| C13 | C29 | sing | 1.54Å | 1.54Å | |
| C10 | N30 | doub | 1.31Å | 1.32Å | Aromatic |
| N30 | C31 | sing | 1.34Å | 1.37Å | Aromatic |
| C31 | C32 | doub | 1.41Å | 1.42Å | Aromatic |
| C32 | C33 | sing | 1.36Å | 1.37Å | Aromatic |
| C33 | C34 | doub | 1.39Å | 1.39Å | Aromatic |
| C34 | C35 | sing | 1.36Å | 1.37Å | Aromatic |
| C35 | C36 | doub | 1.40Å | 1.42Å | Aromatic |
| C36 | C8 | sing | 1.46Å | 1.43Å | Aromatic |
| C29 | N11 | sing | 1.47Å | 1.47Å | |
| N28 | C14 | sing | 1.32Å | 1.38Å | Aromatic |
| C27 | C26 | sing | 1.41Å | 1.41Å | Aromatic |
| C36 | C31 | sing | 1.42Å | 1.42Å | Aromatic |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C18 | H18C | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19C | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| N6 | H6B | sing | 0.97Å | 1.00Å | |
| N6 | H6A | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | N3 | 119.8° | 120.0° |
| O1 | C2 | C8 | 119.8° | 120.0° |
| C2 | N3 | C4 | 123.6° | 120.0° |
| N3 | C2 | C8 | 120.3° | 120.0° |
| C2 | N3 | H3 | 118.2° | 119.9° |
| N3 | C4 | C5 | 113.4° | 109.5° |
| N3 | C4 | H4B | 108.5° | 109.5° |
| N3 | C4 | H4A | 108.5° | 109.5° |
| C4 | N3 | H3 | 118.2° | 120.0° |
| C4 | C5 | N6 | 117.1° | 120.0° |
| C4 | C5 | S7 | 120.1° | 120.0° |
| C5 | C4 | H4B | 108.5° | 109.5° |
| C5 | C4 | H4A | 108.5° | 109.5° |
| N6 | C5 | S7 | 122.8° | 120.0° |
| C5 | N6 | H6B | 120.0° | 120.0° |
| C5 | N6 | H6A | 120.0° | 120.1° |
| C2 | C8 | C9 | 120.2° | 121.3° |
| C2 | C8 | C36 | 120.8° | 121.4° |
| C8 | C9 | C10 | 120.2° | 119.4° |
| C9 | C8 | C36 | 118.8° | 117.3° |
| C8 | C9 | H9 | 119.9° | 120.3° |
| C9 | C10 | N11 | 120.1° | 118.9° |
| C9 | C10 | N30 | 122.9° | 122.3° |
| C10 | C9 | H9 | 119.9° | 120.2° |
| C10 | N11 | C12 | 126.7° | 111.0° |
| N11 | C10 | N30 | 116.9° | 118.8° |
| C10 | N11 | C29 | 129.5° | 111.0° |
| N11 | C12 | C13 | 88.7° | 87.9° |
| C12 | N11 | C29 | 94.3° | 87.9° |
| N11 | C12 | H12B | 114.4° | 113.5° |
| N11 | C12 | H12A | 114.4° | 113.4° |
| C12 | C13 | C14 | 118.3° | 114.2° |
| C12 | C13 | C29 | 88.6° | 83.6° |
| C12 | C13 | H13 | 109.6° | 114.3° |
| C13 | C12 | H12B | 114.4° | 113.5° |
| C13 | C12 | H12A | 114.4° | 113.5° |
| C13 | C14 | C15 | 127.8° | 125.9° |
| C14 | C13 | C29 | 118.6° | 114.2° |
| C13 | C14 | N28 | 120.7° | 125.9° |
| C14 | C13 | H13 | 110.3° | 113.2° |
| C14 | C15 | C16 | 129.1° | 126.8° |
| C14 | C15 | N21 | 104.7° | 106.5° |
| C15 | C14 | N28 | 111.6° | 108.2° |
| C15 | C16 | N17 | 118.9° | 120.0° |
| C15 | C16 | O20 | 119.4° | 120.0° |
| C16 | C15 | N21 | 126.2° | 126.8° |
| C16 | N17 | C18 | 124.7° | 120.0° |
| C16 | N17 | C19 | 120.2° | 120.0° |
| N17 | C16 | O20 | 121.7° | 120.0° |
| C18 | N17 | C19 | 115.2° | 120.0° |
| N17 | C18 | H18B | 109.5° | 109.4° |
| N17 | C18 | H18C | 109.5° | 109.4° |
| N17 | C18 | H18A | 109.5° | 109.5° |
| N17 | C19 | H19B | 109.5° | 109.5° |
| N17 | C19 | H19A | 109.5° | 109.5° |
| N17 | C19 | H19C | 109.4° | 109.4° |
| C15 | N21 | C22 | 131.0° | 132.4° |
| C15 | N21 | C27 | 106.8° | 106.9° |
| N21 | C22 | C23 | 118.1° | 120.6° |
| C22 | N21 | C27 | 122.2° | 120.7° |
| N21 | C22 | H22 | 121.0° | 119.7° |
| C22 | C23 | F24 | 120.3° | 120.0° |
| C22 | C23 | C25 | 122.4° | 120.1° |
| C23 | C22 | H22 | 120.9° | 119.7° |
| F24 | C23 | C25 | 117.3° | 120.0° |
| C23 | C25 | C26 | 119.5° | 119.6° |
| C23 | C25 | H25 | 120.3° | 120.2° |
| C25 | C26 | C27 | 119.5° | 119.4° |
| C26 | C25 | H25 | 120.2° | 120.2° |
| C25 | C26 | H26 | 120.3° | 120.3° |
| N21 | C27 | N28 | 111.3° | 108.6° |
| N21 | C27 | C26 | 118.3° | 119.6° |
| C27 | N28 | C14 | 105.7° | 109.8° |
| N28 | C27 | C26 | 130.4° | 131.8° |
| C13 | C29 | N11 | 88.4° | 87.9° |
| C29 | C13 | H13 | 109.5° | 114.1° |
| C13 | C29 | H29B | 114.4° | 113.4° |
| C13 | C29 | H29A | 114.4° | 113.5° |
| C10 | N30 | C31 | 118.4° | 122.3° |
| N30 | C31 | C32 | 118.3° | 121.1° |
| N30 | C31 | C36 | 122.7° | 119.9° |
| C31 | C32 | C33 | 120.5° | 119.8° |
| C32 | C31 | C36 | 119.0° | 119.0° |
| C31 | C32 | H32 | 119.8° | 120.1° |
| C32 | C33 | C34 | 120.7° | 121.0° |
| C33 | C32 | H32 | 119.8° | 120.2° |
| C32 | C33 | H33 | 119.6° | 119.5° |
| C33 | C34 | C35 | 120.6° | 120.8° |
| C34 | C33 | H33 | 119.7° | 119.5° |
| C33 | C34 | H34 | 119.7° | 119.6° |
| C34 | C35 | C36 | 120.9° | 119.6° |
| C35 | C34 | H34 | 119.7° | 119.6° |
| C34 | C35 | H35 | 119.6° | 120.2° |
| C35 | C36 | C8 | 124.5° | 121.5° |
| C35 | C36 | C31 | 118.5° | 119.8° |
| C36 | C35 | H35 | 119.6° | 120.2° |
| C8 | C36 | C31 | 117.0° | 118.7° |
| N11 | C29 | H29B | 114.4° | 113.5° |
| N11 | C29 | H29A | 114.4° | 113.5° |
| C27 | C26 | H26 | 120.2° | 120.3° |
| H18B | C18 | H18C | 109.4° | 109.5° |
| H18B | C18 | H18A | 109.4° | 109.5° |
| H18C | C18 | H18A | 109.5° | 109.5° |
| H19B | C19 | H19A | 109.5° | 109.5° |
| H19B | C19 | H19C | 109.4° | 109.5° |
| H19A | C19 | H19C | 109.5° | 109.5° |
| H12B | C12 | H12A | 109.5° | 112.8° |
| H29B | C29 | H29A | 109.5° | 112.8° |
| H4B | C4 | H4A | 109.5° | 109.5° |
| H6B | N6 | H6A | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | N3 | C8 | 179.6° | 180.0° |
| O1 | C2 | N3 | C4 | 179.3° | 0.0° |
| O1 | C2 | C8 | C9 | 121.0° | 174.2° |
| O1 | C2 | C8 | C36 | 54.4° | 5.8° |
| O1 | C2 | N3 | H3 | 0.7° | 180.0° |
| C2 | N3 | C4 | H3 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 131.9° | 180.0° |
| N3 | C2 | C8 | C9 | 59.4° | 5.8° |
| N3 | C2 | C8 | C36 | 125.2° | 174.2° |
| C2 | N3 | C4 | H4B | 11.3° | 60.0° |
| C2 | N3 | C4 | H4A | 107.5° | 60.0° |
| N3 | C4 | C5 | H4B | 120.6° | 120.0° |
| N3 | C4 | C5 | H4A | 120.6° | 120.0° |
| N3 | C4 | C5 | N6 | 114.8° | 180.0° |
| N3 | C4 | C5 | S7 | 64.6° | 0.1° |
| C4 | N3 | C2 | C8 | 0.3° | 180.0° |
| N3 | C4 | H4B | H4A | 118.2° | 120.0° |
| C4 | C5 | N6 | S7 | 179.4° | 179.9° |
| C5 | C4 | H4B | H4A | 118.2° | 120.0° |
| C5 | C4 | N3 | H3 | 48.1° | 0.0° |
| C4 | C5 | N6 | H6B | 179.5° | 0.1° |
| C4 | C5 | N6 | H6A | 0.5° | 180.0° |
| N6 | C5 | C4 | H4B | 124.6° | 59.9° |
| N6 | C5 | C4 | H4A | 5.7° | 60.0° |
| C5 | N6 | H6B | H6A | 180.0° | 180.0° |
| S7 | C5 | C4 | H4B | 56.0° | 120.0° |
| S7 | C5 | C4 | H4A | 174.8° | 120.0° |
| S7 | C5 | N6 | H6B | 0.0° | 180.0° |
| S7 | C5 | N6 | H6A | 180.0° | 0.0° |
| C2 | C8 | C9 | C36 | 175.5° | 180.0° |
| C2 | C8 | C9 | C10 | 176.0° | 180.0° |
| C2 | C8 | C36 | C35 | 2.1° | 0.0° |
| C2 | C8 | C36 | C31 | 175.6° | 179.8° |
| C2 | C8 | C9 | H9 | 4.0° | 0.0° |
| C8 | C2 | N3 | H3 | 179.7° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | N11 | 177.8° | 179.9° |
| C8 | C9 | C10 | N30 | 0.6° | 0.2° |
| C9 | C8 | C36 | C35 | 177.6° | 180.0° |
| C9 | C8 | C36 | C31 | 0.1° | 0.2° |
| C9 | C10 | N11 | N30 | 178.5° | 179.7° |
| C9 | C10 | N11 | C12 | 2.3° | 179.7° |
| C9 | C10 | N30 | C31 | 0.2° | 0.2° |
| C10 | C9 | C8 | C36 | 0.5° | 0.0° |
| C9 | C10 | N11 | C29 | 139.6° | 83.8° |
| C10 | N11 | C12 | C29 | 148.4° | 111.7° |
| C10 | N11 | C12 | C13 | 147.8° | 138.7° |
| C10 | N11 | C29 | C13 | 146.4° | 138.7° |
| N11 | C10 | N30 | C31 | 178.2° | 180.0° |
| C10 | N11 | C12 | H12B | 95.9° | 23.9° |
| C10 | N11 | C12 | H12A | 31.4° | 106.5° |
| C10 | N11 | C29 | H29B | 97.4° | 106.6° |
| C10 | N11 | C29 | H29A | 30.2° | 24.0° |
| N11 | C10 | C9 | H9 | 2.3° | 0.1° |
| N11 | C12 | C13 | H12B | 116.3° | 114.7° |
| N11 | C12 | C13 | H12A | 116.3° | 114.7° |
| N11 | C12 | C13 | C14 | 122.7° | 87.7° |
| C12 | N11 | C29 | C13 | 0.6° | 27.0° |
| C12 | N11 | C10 | N30 | 179.3° | 0.0° |
| N11 | C12 | C13 | H13 | 109.7° | 139.7° |
| N11 | C12 | H12B | H12A | 129.8° | 130.8° |
| C12 | N11 | C29 | H29B | 115.6° | 141.7° |
| C12 | N11 | C29 | H29A | 116.9° | 87.8° |
| C12 | C13 | C14 | C29 | 105.2° | 93.9° |
| C12 | C13 | C14 | H13 | 127.3° | 133.2° |
| C12 | C13 | C14 | C15 | 113.6° | 146.2° |
| C12 | C13 | C29 | H13 | 110.4° | 113.8° |
| C12 | C13 | C14 | N28 | 65.9° | 33.6° |
| C13 | C12 | H12B | H12A | 129.9° | 130.9° |
| C12 | C13 | C29 | H29B | 115.6° | 140.8° |
| C12 | C13 | C29 | H29A | 116.8° | 88.7° |
| C13 | C14 | C15 | N28 | 179.6° | 179.8° |
| C13 | C14 | C15 | C16 | 1.7° | 0.0° |
| C13 | C14 | C15 | N21 | 179.6° | 180.0° |
| C13 | C14 | N28 | C27 | 179.7° | 179.8° |
| C14 | C13 | C29 | H13 | 127.8° | 132.5° |
| C14 | C13 | C29 | N11 | 122.4° | 87.6° |
| C14 | C13 | C12 | H12B | 6.4° | 157.6° |
| C14 | C13 | C12 | H12A | 121.0° | 27.0° |
| C14 | C13 | C29 | H29B | 6.2° | 27.1° |
| C14 | C13 | C29 | H29A | 121.4° | 157.6° |
| C14 | C15 | C16 | N21 | 177.6° | 179.9° |
| C14 | C15 | C16 | N17 | 118.9° | 90.6° |
| C14 | C15 | C16 | O20 | 60.1° | 89.3° |
| C14 | C15 | N21 | C22 | 179.1° | 180.0° |
| C14 | C15 | N21 | C27 | 0.0° | 0.1° |
| C15 | C14 | N28 | C27 | 0.0° | 0.4° |
| C15 | C14 | C13 | C29 | 141.1° | 119.9° |
| C15 | C14 | C13 | H13 | 13.7° | 13.0° |
| C15 | C16 | N17 | O20 | 178.9° | 180.0° |
| C15 | C16 | N17 | C18 | 6.3° | 174.9° |
| C15 | C16 | N17 | C19 | 173.5° | 5.2° |
| C16 | C15 | N21 | C22 | 2.8° | 0.1° |
| C16 | C15 | N21 | C27 | 178.0° | 180.0° |
| C16 | C15 | C14 | N28 | 177.9° | 179.8° |
| C16 | N17 | C18 | C19 | 179.8° | 179.9° |
| N17 | C16 | C15 | N21 | 63.6° | 89.4° |
| C16 | N17 | C18 | H18B | 180.0° | 0.0° |
| C16 | N17 | C18 | H18C | 60.0° | 120.0° |
| C16 | N17 | C18 | H18A | 60.0° | 120.0° |
| C16 | N17 | C19 | H19B | 180.0° | 94.7° |
| C16 | N17 | C19 | H19A | 60.0° | 145.3° |
| C16 | N17 | C19 | H19C | 60.0° | 25.3° |
| C18 | N17 | C16 | O20 | 172.5° | 5.1° |
| N17 | C18 | H18B | H18C | 120.0° | 119.9° |
| N17 | C18 | H18B | H18A | 120.0° | 120.0° |
| N17 | C18 | H18C | H18A | 120.0° | 120.0° |
| C18 | N17 | C19 | H19B | 0.2° | 85.3° |
| C18 | N17 | C19 | H19A | 119.8° | 34.8° |
| C18 | N17 | C19 | H19C | 120.2° | 154.7° |
| C19 | N17 | C16 | O20 | 7.6° | 174.8° |
| C19 | N17 | C18 | H18B | 0.2° | 180.0° |
| C19 | N17 | C18 | H18C | 120.2° | 60.1° |
| C19 | N17 | C18 | H18A | 119.8° | 60.0° |
| N17 | C19 | H19B | H19A | 120.0° | 120.1° |
| N17 | C19 | H19B | H19C | 120.0° | 119.9° |
| N17 | C19 | H19A | H19C | 120.0° | 119.9° |
| O20 | C16 | C15 | N21 | 117.5° | 90.6° |
| C15 | N21 | C22 | C27 | 179.0° | 179.9° |
| C15 | N21 | C22 | C23 | 178.9° | 179.9° |
| C15 | N21 | C27 | N28 | 0.0° | 0.3° |
| N21 | C15 | C14 | N28 | 0.0° | 0.2° |
| C15 | N21 | C27 | C26 | 179.2° | 179.9° |
| C15 | N21 | C22 | H22 | 1.1° | 0.0° |
| N21 | C22 | C23 | H22 | 180.0° | 179.9° |
| N21 | C22 | C23 | F24 | 178.5° | 180.0° |
| N21 | C22 | C23 | C25 | 0.2° | 0.0° |
| C22 | N21 | C27 | N28 | 179.2° | 179.8° |
| C22 | N21 | C27 | C26 | 0.1° | 0.0° |
| C22 | C23 | F24 | C25 | 178.8° | 179.9° |
| C22 | C23 | C25 | C26 | 0.2° | 0.1° |
| C23 | C22 | N21 | C27 | 0.2° | 0.0° |
| C22 | C23 | C25 | H25 | 179.8° | 180.0° |
| F24 | C23 | C25 | C26 | 178.6° | 180.0° |
| F24 | C23 | C22 | H22 | 1.5° | 0.1° |
| F24 | C23 | C25 | H25 | 1.4° | 0.0° |
| C23 | C25 | C26 | H25 | 180.0° | 179.9° |
| C23 | C25 | C26 | C27 | 0.0° | 0.1° |
| C25 | C23 | C22 | H22 | 179.8° | 180.0° |
| C23 | C25 | C26 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | N21 | 0.0° | 0.0° |
| C25 | C26 | C27 | N28 | 179.0° | 179.6° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| N21 | C27 | N28 | C26 | 179.0° | 179.7° |
| N21 | C27 | N28 | C14 | 0.0° | 0.5° |
| C27 | N21 | C22 | H22 | 179.8° | 179.9° |
| N21 | C27 | C26 | H26 | 180.0° | 179.9° |
| N28 | C27 | C26 | H26 | 1.0° | 0.2° |
| C13 | C29 | N11 | H29B | 116.2° | 114.7° |
| C13 | C29 | N11 | H29A | 116.2° | 114.8° |
| C29 | C13 | C14 | N28 | 39.3° | 60.3° |
| C29 | C13 | C12 | H12B | 115.7° | 88.7° |
| C29 | C13 | C12 | H12A | 116.9° | 140.8° |
| C13 | C29 | H29B | H29A | 130.0° | 130.8° |
| C10 | N30 | C31 | C32 | 177.9° | 180.0° |
| N30 | C10 | N11 | C29 | 41.9° | 96.0° |
| C10 | N30 | C31 | C36 | 0.2° | 0.0° |
| N30 | C10 | C9 | H9 | 179.4° | 179.8° |
| N30 | C31 | C32 | C36 | 178.2° | 180.0° |
| N30 | C31 | C32 | C33 | 178.1° | 180.0° |
| N30 | C31 | C36 | C35 | 178.1° | 180.0° |
| N30 | C31 | C36 | C8 | 0.2° | 0.2° |
| N30 | C31 | C32 | H32 | 1.9° | 0.1° |
| C31 | C32 | C33 | H32 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 0.0° | 0.0° |
| C32 | C31 | C36 | C35 | 0.0° | 0.0° |
| C32 | C31 | C36 | C8 | 177.9° | 179.8° |
| C31 | C32 | C33 | H33 | 179.9° | 180.0° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.0° | 0.0° |
| C33 | C32 | C31 | C36 | 0.0° | 0.0° |
| C32 | C33 | C34 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.1° | 0.0° |
| C34 | C33 | C32 | H32 | 180.0° | 179.9° |
| C33 | C34 | C35 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | C8 | 177.6° | 179.8° |
| C34 | C35 | C36 | C31 | 0.0° | 0.0° |
| C35 | C34 | C33 | H33 | 180.0° | 180.0° |
| C35 | C36 | C8 | C31 | 177.7° | 179.8° |
| C36 | C35 | C34 | H34 | 179.9° | 179.9° |
| C8 | C36 | C35 | H35 | 2.3° | 0.2° |
| C36 | C8 | C9 | H9 | 179.5° | 180.0° |
| N11 | C29 | C13 | H13 | 109.7° | 139.9° |
| C29 | N11 | C12 | H12B | 115.7° | 87.7° |
| C29 | N11 | C12 | H12A | 117.0° | 141.8° |
| N11 | C29 | H29B | H29A | 130.0° | 130.8° |
| C14 | N28 | C27 | C26 | 179.0° | 179.8° |
| N28 | C14 | C13 | H13 | 166.8° | 166.8° |
| C27 | C26 | C25 | H25 | 180.0° | 180.0° |
| C36 | C31 | C32 | H32 | 180.0° | 179.9° |
| C31 | C36 | C35 | H35 | 180.0° | 180.0° |
| H18B | C18 | H18C | H18A | 119.9° | 120.0° |
| H19B | C19 | H19A | H19C | 120.0° | 120.0° |
| H13 | C13 | C12 | H12B | 134.0° | 25.0° |
| H13 | C13 | C12 | H12A | 6.6° | 105.6° |
| H13 | C13 | C29 | H29B | 134.0° | 105.4° |
| H13 | C13 | C29 | H29A | 6.5° | 25.1° |
| H25 | C25 | C26 | H26 | 0.0° | 0.1° |
| H32 | C32 | C33 | H33 | 0.1° | 0.0° |
| H33 | C33 | C34 | H34 | 0.0° | 0.0° |
| H34 | C34 | C35 | H35 | 0.1° | 0.0° |
| H4B | C4 | N3 | H3 | 168.7° | 120.0° |
| H4A | C4 | N3 | H3 | 72.5° | 120.0° |
