A1I46
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.50Å | 1.51Å | |
| C2 | N3 | doub | 1.27Å | 1.28Å | |
| N3 | C4 | sing | 1.36Å | 1.41Å | |
| C4 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | O7 | sing | 1.36Å | 1.37Å | |
| O7 | C8 | sing | 1.43Å | 1.43Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | O12 | doub | 1.21Å | 1.23Å | |
| C11 | N13 | sing | 1.35Å | 1.35Å | |
| N13 | C14 | sing | 1.40Å | 1.42Å | |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | N18 | sing | 1.40Å | 1.39Å | |
| N18 | C19 | sing | 1.47Å | 1.46Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | N21 | sing | 1.47Å | 1.46Å | |
| N21 | C22 | sing | 1.47Å | 1.46Å | |
| N21 | C23 | sing | 1.47Å | 1.46Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C17 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C27 | doub | 1.40Å | 1.41Å | Aromatic |
| C27 | O28 | sing | 1.36Å | 1.37Å | |
| O28 | C29 | sing | 1.43Å | 1.42Å | |
| C27 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | doub | 1.40Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.47Å | 1.50Å | |
| C32 | O33 | doub | 1.22Å | 1.22Å | |
| C32 | N34 | sing | 1.34Å | 1.35Å | |
| N34 | C35 | sing | 1.47Å | 1.47Å | |
| C35 | C36 | sing | 1.58Å | 1.51Å | |
| C36 | C37 | sing | 1.55Å | 1.51Å | |
| C24 | N18 | sing | 1.47Å | 1.46Å | |
| C26 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| N34 | C1 | sing | 1.47Å | 1.48Å | |
| C37 | C1 | sing | 1.54Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C20 | H20B | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C22 | H22C | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C29 | H29C | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C36 | H36B | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C37 | H37B | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| N13 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | N3 | 123.6° | 122.1° |
| C2 | C1 | N34 | 106.2° | 107.8° |
| C2 | C1 | C37 | 113.4° | 109.6° |
| C2 | C1 | H1 | 111.5° | 110.5° |
| C1 | C2 | H2 | 118.2° | 118.9° |
| C2 | N3 | C4 | 121.7° | 127.4° |
| N3 | C2 | H2 | 118.2° | 118.9° |
| N3 | C4 | C5 | 115.3° | 116.9° |
| N3 | C4 | C31 | 125.3° | 124.0° |
| C4 | C5 | C6 | 120.5° | 120.7° |
| C5 | C4 | C31 | 119.4° | 119.0° |
| C4 | C5 | H5 | 119.8° | 119.6° |
| C5 | C6 | O7 | 124.0° | 120.0° |
| C5 | C6 | C27 | 120.0° | 120.1° |
| C6 | C5 | H5 | 119.8° | 119.6° |
| C6 | O7 | C8 | 117.7° | 117.0° |
| O7 | C6 | C27 | 116.0° | 119.9° |
| O7 | C8 | C9 | 108.9° | 109.4° |
| O7 | C8 | H8B | 109.6° | 109.5° |
| O7 | C8 | H8A | 109.6° | 109.5° |
| C8 | C9 | C10 | 112.5° | 109.5° |
| C9 | C8 | H8B | 109.6° | 109.5° |
| C9 | C8 | H8A | 109.6° | 109.5° |
| C8 | C9 | H9B | 108.7° | 109.5° |
| C8 | C9 | H9A | 108.7° | 109.5° |
| C9 | C10 | C11 | 112.5° | 109.5° |
| C9 | C10 | H10A | 108.7° | 109.4° |
| C9 | C10 | H10B | 108.7° | 109.5° |
| C10 | C9 | H9B | 108.7° | 109.4° |
| C10 | C9 | H9A | 108.7° | 109.4° |
| C10 | C11 | O12 | 121.5° | 120.0° |
| C10 | C11 | N13 | 114.4° | 120.0° |
| C11 | C10 | H10A | 108.7° | 109.5° |
| C11 | C10 | H10B | 108.7° | 109.5° |
| O12 | C11 | N13 | 124.2° | 120.0° |
| C11 | N13 | C14 | 128.8° | 120.0° |
| C11 | N13 | H13 | 115.6° | 119.9° |
| N13 | C14 | C15 | 118.7° | 120.0° |
| N13 | C14 | C26 | 122.1° | 120.0° |
| C14 | N13 | H13 | 115.6° | 120.1° |
| C14 | C15 | C16 | 120.4° | 120.0° |
| C15 | C14 | C26 | 119.1° | 120.0° |
| C14 | C15 | H15 | 119.8° | 120.0° |
| C15 | C16 | C17 | 120.7° | 120.0° |
| C16 | C15 | H15 | 119.8° | 120.0° |
| C15 | C16 | H16 | 119.6° | 120.0° |
| C16 | C17 | N18 | 120.8° | 120.0° |
| C16 | C17 | C25 | 118.7° | 120.0° |
| C17 | C16 | H16 | 119.7° | 120.0° |
| C17 | N18 | C19 | 118.6° | 111.0° |
| N18 | C17 | C25 | 120.6° | 120.0° |
| C17 | N18 | C24 | 117.7° | 111.0° |
| N18 | C19 | C20 | 110.6° | 109.4° |
| C19 | N18 | C24 | 111.1° | 110.9° |
| N18 | C19 | H19A | 109.2° | 109.5° |
| N18 | C19 | H19B | 109.2° | 109.5° |
| C19 | C20 | N21 | 111.0° | 109.4° |
| C20 | C19 | H19A | 109.2° | 109.5° |
| C20 | C19 | H19B | 109.2° | 109.5° |
| C19 | C20 | H20A | 109.1° | 109.5° |
| C19 | C20 | H20B | 109.1° | 109.5° |
| C20 | N21 | C22 | 110.8° | 111.0° |
| C20 | N21 | C23 | 109.4° | 110.9° |
| N21 | C20 | H20A | 109.1° | 109.5° |
| N21 | C20 | H20B | 109.1° | 109.5° |
| C22 | N21 | C23 | 110.7° | 111.0° |
| N21 | C22 | H22B | 109.5° | 109.4° |
| N21 | C22 | H22C | 109.5° | 109.4° |
| N21 | C22 | H22A | 109.5° | 109.5° |
| N21 | C23 | C24 | 110.9° | 109.3° |
| N21 | C23 | H23A | 109.1° | 109.5° |
| N21 | C23 | H23B | 109.1° | 109.5° |
| C23 | C24 | N18 | 110.4° | 109.4° |
| C24 | C23 | H23A | 109.1° | 109.5° |
| C24 | C23 | H23B | 109.1° | 109.5° |
| C23 | C24 | H24A | 109.2° | 109.5° |
| C23 | C24 | H24B | 109.2° | 109.5° |
| C17 | C25 | C26 | 120.7° | 120.0° |
| C17 | C25 | H25 | 119.6° | 120.0° |
| C25 | C26 | C14 | 120.4° | 120.0° |
| C26 | C25 | H25 | 119.6° | 120.0° |
| C25 | C26 | H26 | 119.8° | 120.0° |
| C6 | C27 | O28 | 115.5° | 120.0° |
| C6 | C27 | C30 | 119.8° | 119.9° |
| C27 | O28 | C29 | 117.5° | 117.0° |
| O28 | C27 | C30 | 124.6° | 120.0° |
| O28 | C29 | H29A | 109.5° | 109.4° |
| O28 | C29 | H29B | 109.5° | 109.5° |
| O28 | C29 | H29C | 109.5° | 109.5° |
| C27 | C30 | C31 | 120.2° | 120.5° |
| C27 | C30 | H30 | 119.9° | 119.7° |
| C30 | C31 | C32 | 114.0° | 117.5° |
| C30 | C31 | C4 | 120.2° | 119.7° |
| C31 | C30 | H30 | 119.9° | 119.8° |
| C31 | C32 | O33 | 119.9° | 119.1° |
| C31 | C32 | N34 | 118.2° | 121.8° |
| C32 | C31 | C4 | 125.9° | 122.8° |
| O33 | C32 | N34 | 121.9° | 119.1° |
| C32 | N34 | C35 | 122.1° | 126.5° |
| C32 | N34 | C1 | 125.1° | 124.7° |
| N34 | C35 | C36 | 103.4° | 104.7° |
| C35 | N34 | C1 | 112.9° | 108.8° |
| N34 | C35 | H35B | 110.9° | 110.1° |
| N34 | C35 | H35A | 111.0° | 111.0° |
| C35 | C36 | C37 | 103.8° | 101.6° |
| C36 | C35 | H35B | 111.0° | 110.3° |
| C36 | C35 | H35A | 111.0° | 110.3° |
| C35 | C36 | H36B | 110.8° | 111.0° |
| C35 | C36 | H36A | 110.9° | 111.0° |
| C36 | C37 | C1 | 105.5° | 102.9° |
| C37 | C36 | H36B | 110.9° | 111.0° |
| C37 | C36 | H36A | 110.9° | 111.0° |
| C36 | C37 | H37B | 110.5° | 110.7° |
| C36 | C37 | H37A | 110.5° | 110.7° |
| N18 | C24 | H24A | 109.2° | 109.5° |
| N18 | C24 | H24B | 109.2° | 109.4° |
| C14 | C26 | H26 | 119.8° | 119.9° |
| N34 | C1 | C37 | 102.2° | 107.9° |
| N34 | C1 | H1 | 112.0° | 110.5° |
| C37 | C1 | H1 | 111.2° | 110.4° |
| C1 | C37 | H37B | 110.4° | 110.7° |
| C1 | C37 | H37A | 110.5° | 110.8° |
| H10A | C10 | H10B | 109.5° | 109.5° |
| H19A | C19 | H19B | 109.5° | 109.5° |
| H20A | C20 | H20B | 109.4° | 109.5° |
| H22B | C22 | H22C | 109.5° | 109.5° |
| H22B | C22 | H22A | 109.4° | 109.5° |
| H22C | C22 | H22A | 109.5° | 109.5° |
| H23A | C23 | H23B | 109.5° | 109.5° |
| H24A | C24 | H24B | 109.5° | 109.5° |
| H29A | C29 | H29B | 109.5° | 109.5° |
| H29A | C29 | H29C | 109.5° | 109.5° |
| H29B | C29 | H29C | 109.5° | 109.5° |
| H35B | C35 | H35A | 109.5° | 110.3° |
| H36B | C36 | H36A | 109.5° | 110.9° |
| H37B | C37 | H37A | 109.5° | 110.8° |
| H8B | C8 | H8A | 109.5° | 109.5° |
| H9B | C9 | H9A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | N3 | H2 | 180.0° | 179.9° |
| C1 | C2 | N3 | C4 | 24.8° | 1.5° |
| C2 | C1 | N34 | C32 | 53.2° | 60.7° |
| C2 | C1 | N34 | C35 | 126.9° | 118.6° |
| C2 | C1 | C37 | C36 | 140.6° | 140.2° |
| C2 | C1 | N34 | C37 | 119.0° | 118.3° |
| C2 | C1 | N34 | H1 | 121.9° | 120.9° |
| C2 | C1 | C37 | H1 | 126.5° | 122.0° |
| C2 | C1 | C37 | H37B | 100.0° | 21.9° |
| C2 | C1 | C37 | H37A | 21.2° | 101.4° |
| C2 | N3 | C4 | C5 | 154.4° | 138.4° |
| C2 | N3 | C4 | C31 | 25.9° | 42.5° |
| N3 | C2 | C1 | N34 | 79.8° | 62.6° |
| N3 | C2 | C1 | C37 | 168.9° | 179.8° |
| N3 | C2 | C1 | H1 | 42.5° | 58.3° |
| N3 | C4 | C5 | C31 | 179.7° | 179.2° |
| N3 | C4 | C5 | C6 | 179.7° | 178.2° |
| N3 | C4 | C31 | C30 | 179.7° | 177.9° |
| N3 | C4 | C31 | C32 | 0.6° | 2.4° |
| C4 | N3 | C2 | H2 | 155.2° | 178.4° |
| N3 | C4 | C5 | H5 | 0.3° | 1.7° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | O7 | 178.9° | 179.9° |
| C4 | C5 | C6 | C27 | 0.0° | 0.1° |
| C5 | C4 | C31 | C30 | 0.0° | 1.3° |
| C5 | C4 | C31 | C32 | 179.1° | 178.4° |
| C5 | C6 | O7 | C27 | 179.0° | 180.0° |
| C5 | C6 | O7 | C8 | 22.0° | 0.0° |
| C5 | C6 | C27 | O28 | 179.8° | 179.6° |
| C5 | C6 | C27 | C30 | 0.0° | 0.5° |
| C6 | C5 | C4 | C31 | 0.0° | 1.0° |
| C6 | O7 | C8 | C9 | 106.7° | 180.0° |
| O7 | C6 | C27 | O28 | 0.8° | 0.4° |
| O7 | C6 | C27 | C30 | 179.0° | 179.5° |
| O7 | C6 | C5 | H5 | 1.0° | 0.1° |
| C6 | O7 | C8 | H8B | 133.4° | 60.0° |
| C6 | O7 | C8 | H8A | 13.2° | 60.0° |
| O7 | C8 | C9 | H8B | 119.9° | 120.0° |
| O7 | C8 | C9 | H8A | 119.9° | 120.0° |
| O7 | C8 | C9 | C10 | 56.7° | 180.0° |
| C8 | O7 | C6 | C27 | 156.9° | 180.0° |
| O7 | C8 | H8B | H8A | 120.3° | 120.1° |
| O7 | C8 | C9 | H9B | 177.2° | 60.1° |
| O7 | C8 | C9 | H9A | 63.7° | 60.0° |
| C8 | C9 | C10 | H9B | 120.4° | 120.0° |
| C8 | C9 | C10 | H9A | 120.5° | 120.0° |
| C8 | C9 | C10 | C11 | 163.8° | 180.0° |
| C8 | C9 | C10 | H10A | 75.7° | 60.0° |
| C8 | C9 | C10 | H10B | 43.4° | 60.0° |
| C9 | C8 | H8B | H8A | 120.3° | 120.0° |
| C8 | C9 | H9B | H9A | 118.6° | 120.1° |
| C9 | C10 | C11 | H10A | 120.4° | 120.0° |
| C9 | C10 | C11 | H10B | 120.5° | 120.0° |
| C9 | C10 | C11 | O12 | 25.0° | 0.0° |
| C9 | C10 | C11 | N13 | 154.2° | 180.0° |
| C9 | C10 | H10A | H10B | 118.6° | 120.0° |
| C10 | C9 | C8 | H8B | 63.2° | 60.0° |
| C10 | C9 | C8 | H8A | 176.7° | 60.0° |
| C10 | C9 | H9B | H9A | 118.6° | 120.0° |
| C10 | C11 | O12 | N13 | 179.1° | 180.0° |
| C10 | C11 | N13 | C14 | 176.6° | 175.4° |
| C11 | C10 | H10A | H10B | 118.6° | 120.0° |
| C11 | C10 | C9 | H9B | 43.4° | 60.0° |
| C11 | C10 | C9 | H9A | 75.7° | 60.0° |
| C10 | C11 | N13 | H13 | 3.4° | 4.6° |
| O12 | C11 | N13 | C14 | 4.2° | 4.7° |
| O12 | C11 | C10 | H10A | 145.4° | 120.0° |
| O12 | C11 | C10 | H10B | 95.5° | 120.0° |
| O12 | C11 | N13 | H13 | 175.8° | 175.4° |
| C11 | N13 | C14 | H13 | 180.0° | 180.0° |
| C11 | N13 | C14 | C15 | 169.7° | 35.1° |
| C11 | N13 | C14 | C26 | 12.8° | 145.1° |
| N13 | C11 | C10 | H10A | 33.8° | 60.1° |
| N13 | C11 | C10 | H10B | 85.3° | 60.0° |
| N13 | C14 | C15 | C26 | 177.5° | 179.8° |
| N13 | C14 | C15 | C16 | 177.4° | 179.7° |
| N13 | C14 | C26 | C25 | 177.3° | 179.7° |
| N13 | C14 | C15 | H15 | 2.6° | 0.2° |
| N13 | C14 | C26 | H26 | 2.7° | 0.2° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.0° | 0.0° |
| C15 | C14 | C26 | C25 | 0.2° | 0.1° |
| C14 | C15 | C16 | H16 | 180.0° | 180.0° |
| C15 | C14 | C26 | H26 | 179.8° | 180.0° |
| C15 | C14 | N13 | H13 | 10.3° | 144.9° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | N18 | 179.1° | 180.0° |
| C15 | C16 | C17 | C25 | 0.1° | 0.1° |
| C16 | C15 | C14 | C26 | 0.1° | 0.0° |
| C16 | C17 | N18 | C25 | 179.1° | 180.0° |
| C16 | C17 | N18 | C19 | 8.7° | 56.2° |
| C16 | C17 | C25 | C26 | 0.0° | 0.1° |
| C16 | C17 | N18 | C24 | 147.3° | 180.0° |
| C17 | C16 | C15 | H15 | 180.0° | 180.0° |
| C16 | C17 | C25 | H25 | 180.0° | 180.0° |
| C17 | N18 | C19 | C24 | 141.1° | 123.9° |
| C17 | N18 | C19 | C20 | 85.7° | 176.8° |
| C17 | N18 | C24 | C23 | 85.7° | 176.8° |
| N18 | C17 | C25 | C26 | 179.1° | 180.0° |
| N18 | C17 | C16 | H16 | 0.9° | 0.0° |
| C17 | N18 | C19 | H19A | 154.1° | 63.2° |
| C17 | N18 | C19 | H19B | 34.5° | 56.8° |
| C17 | N18 | C24 | H24A | 154.1° | 56.8° |
| C17 | N18 | C24 | H24B | 34.4° | 63.2° |
| N18 | C17 | C25 | H25 | 0.9° | 0.1° |
| N18 | C19 | C20 | H19A | 120.2° | 120.0° |
| N18 | C19 | C20 | H19B | 120.2° | 120.0° |
| N18 | C19 | C20 | N21 | 57.0° | 58.4° |
| C19 | N18 | C24 | C23 | 55.8° | 59.3° |
| C19 | N18 | C17 | C25 | 170.5° | 123.8° |
| N18 | C19 | H19A | H19B | 119.5° | 120.1° |
| N18 | C19 | C20 | H20A | 177.2° | 61.6° |
| N18 | C19 | C20 | H20B | 63.3° | 178.4° |
| C19 | N18 | C24 | H24A | 64.4° | 179.3° |
| C19 | N18 | C24 | H24B | 175.9° | 60.7° |
| C19 | C20 | N21 | H20A | 120.3° | 120.0° |
| C19 | C20 | N21 | H20B | 120.2° | 120.0° |
| C19 | C20 | N21 | C22 | 64.0° | 176.8° |
| C19 | C20 | N21 | C23 | 58.3° | 59.3° |
| C20 | C19 | N18 | C24 | 55.5° | 59.3° |
| C20 | C19 | H19A | H19B | 119.5° | 120.0° |
| C19 | C20 | H20A | H20B | 119.3° | 120.1° |
| C20 | N21 | C22 | C23 | 121.6° | 123.8° |
| C20 | N21 | C23 | C24 | 58.7° | 59.3° |
| N21 | C20 | C19 | H19A | 63.2° | 61.6° |
| N21 | C20 | C19 | H19B | 177.1° | 178.4° |
| N21 | C20 | H20A | H20B | 119.3° | 120.0° |
| C20 | N21 | C22 | H22B | 180.0° | 60.0° |
| C20 | N21 | C22 | H22C | 60.0° | 180.0° |
| C20 | N21 | C22 | H22A | 60.0° | 60.0° |
| C20 | N21 | C23 | H23A | 178.9° | 179.3° |
| C20 | N21 | C23 | H23B | 61.5° | 60.6° |
| C22 | N21 | C23 | C24 | 63.7° | 176.8° |
| C22 | N21 | C20 | H20A | 56.2° | 63.2° |
| C22 | N21 | C20 | H20B | 175.7° | 56.8° |
| N21 | C22 | H22B | H22C | 120.0° | 120.0° |
| N21 | C22 | H22B | H22A | 120.0° | 120.0° |
| N21 | C22 | H22C | H22A | 120.0° | 120.0° |
| C22 | N21 | C23 | H23A | 56.5° | 56.9° |
| C22 | N21 | C23 | H23B | 176.1° | 63.2° |
| N21 | C23 | C24 | H23A | 120.2° | 120.0° |
| N21 | C23 | C24 | H23B | 120.2° | 120.0° |
| N21 | C23 | C24 | N18 | 57.7° | 58.4° |
| C23 | N21 | C20 | H20A | 178.6° | 60.6° |
| C23 | N21 | C20 | H20B | 61.9° | 179.3° |
| C23 | N21 | C22 | H22B | 58.4° | 176.2° |
| C23 | N21 | C22 | H22C | 61.6° | 56.2° |
| C23 | N21 | C22 | H22A | 178.4° | 63.8° |
| N21 | C23 | H23A | H23B | 119.3° | 120.1° |
| N21 | C23 | C24 | H24A | 62.5° | 178.4° |
| N21 | C23 | C24 | H24B | 177.8° | 61.6° |
| C23 | C24 | N18 | H24A | 120.2° | 120.0° |
| C23 | C24 | N18 | H24B | 120.1° | 120.0° |
| C24 | C23 | H23A | H23B | 119.4° | 120.0° |
| C23 | C24 | H24A | H24B | 119.6° | 120.1° |
| C17 | C25 | C26 | H25 | 180.0° | 179.9° |
| C25 | C17 | N18 | C24 | 31.9° | 0.0° |
| C17 | C25 | C26 | C14 | 0.1° | 0.1° |
| C25 | C17 | C16 | H16 | 179.9° | 180.0° |
| C17 | C25 | C26 | H26 | 179.9° | 180.0° |
| C25 | C26 | C14 | H26 | 180.0° | 179.9° |
| C6 | C27 | O28 | C30 | 179.8° | 180.0° |
| C6 | C27 | O28 | C29 | 179.7° | 180.0° |
| C6 | C27 | C30 | C31 | 0.0° | 0.2° |
| C6 | C27 | C30 | H30 | 180.0° | 179.9° |
| C27 | C6 | C5 | H5 | 180.0° | 179.9° |
| O28 | C27 | C30 | C31 | 179.8° | 179.9° |
| C27 | O28 | C29 | H29A | 180.0° | 60.0° |
| C27 | O28 | C29 | H29B | 60.0° | 60.0° |
| C27 | O28 | C29 | H29C | 60.0° | 180.0° |
| O28 | C27 | C30 | H30 | 0.2° | 0.1° |
| C29 | O28 | C27 | C30 | 0.1° | 0.0° |
| O28 | C29 | H29A | H29B | 120.0° | 120.0° |
| O28 | C29 | H29A | H29C | 120.0° | 120.0° |
| O28 | C29 | H29B | H29C | 120.0° | 120.0° |
| C27 | C30 | C31 | H30 | 180.0° | 180.0° |
| C27 | C30 | C31 | C32 | 179.2° | 179.0° |
| C27 | C30 | C31 | C4 | 0.0° | 0.7° |
| C30 | C31 | C32 | C4 | 179.2° | 179.7° |
| C30 | C31 | C32 | O33 | 43.2° | 38.2° |
| C30 | C31 | C32 | N34 | 136.6° | 141.8° |
| C31 | C32 | O33 | N34 | 179.7° | 180.0° |
| C31 | C32 | N34 | C35 | 167.0° | 179.6° |
| C31 | C32 | N34 | C1 | 12.8° | 1.3° |
| C32 | C31 | C30 | H30 | 0.8° | 1.0° |
| O33 | C32 | N34 | C35 | 12.7° | 0.3° |
| O33 | C32 | C31 | C4 | 136.0° | 142.1° |
| O33 | C32 | N34 | C1 | 167.4° | 178.8° |
| C32 | N34 | C35 | C1 | 179.9° | 179.2° |
| C32 | N34 | C35 | C36 | 166.0° | 158.4° |
| N34 | C32 | C31 | C4 | 44.3° | 37.9° |
| C32 | N34 | C1 | C37 | 172.2° | 178.9° |
| C32 | N34 | C1 | H1 | 68.7° | 60.3° |
| C32 | N34 | C35 | H35B | 47.0° | 83.1° |
| C32 | N34 | C35 | H35A | 75.0° | 39.3° |
| N34 | C35 | C36 | H35B | 119.0° | 118.4° |
| N34 | C35 | C36 | H35A | 119.0° | 119.5° |
| N34 | C35 | C36 | C37 | 30.0° | 35.8° |
| C35 | N34 | C1 | C37 | 7.8° | 0.3° |
| C35 | N34 | C1 | H1 | 111.2° | 120.5° |
| N34 | C35 | H35B | H35A | 122.8° | 122.8° |
| N34 | C35 | C36 | H36B | 89.1° | 82.2° |
| N34 | C35 | C36 | H36A | 149.2° | 153.9° |
| C35 | C36 | C37 | H36B | 119.1° | 118.1° |
| C35 | C36 | C37 | H36A | 119.1° | 118.1° |
| C36 | C35 | N34 | C1 | 13.9° | 22.4° |
| C35 | C36 | C37 | C1 | 35.9° | 35.1° |
| C36 | C35 | H35B | H35A | 122.9° | 122.1° |
| C35 | C36 | H36B | H36A | 122.6° | 123.9° |
| C35 | C36 | C37 | H37B | 155.3° | 83.2° |
| C35 | C36 | C37 | H37A | 83.5° | 153.5° |
| C36 | C37 | C1 | N34 | 26.7° | 23.1° |
| C36 | C37 | C1 | H37B | 119.4° | 118.3° |
| C36 | C37 | C1 | H37A | 119.4° | 118.4° |
| C36 | C37 | C1 | H1 | 92.9° | 97.8° |
| C37 | C36 | C35 | H35B | 149.0° | 82.6° |
| C37 | C36 | C35 | H35A | 89.0° | 155.3° |
| C37 | C36 | H36B | H36A | 122.7° | 123.9° |
| C36 | C37 | H37B | H37A | 121.9° | 123.3° |
| C24 | N18 | C19 | H19A | 64.7° | 60.7° |
| C24 | N18 | C19 | H19B | 175.6° | 179.2° |
| N18 | C24 | C23 | H23A | 177.9° | 178.3° |
| N18 | C24 | C23 | H23B | 62.5° | 61.6° |
| N18 | C24 | H24A | H24B | 119.6° | 120.0° |
| C26 | C14 | C15 | H15 | 179.9° | 180.0° |
| C14 | C26 | C25 | H25 | 179.9° | 180.0° |
| C26 | C14 | N13 | H13 | 167.2° | 34.8° |
| C4 | C31 | C30 | H30 | 180.0° | 179.3° |
| C31 | C4 | C5 | H5 | 180.0° | 179.1° |
| N34 | C1 | C37 | H1 | 119.6° | 120.8° |
| N34 | C1 | C2 | H2 | 100.2° | 117.5° |
| C1 | N34 | C35 | H35B | 132.9° | 96.2° |
| C1 | N34 | C35 | H35A | 105.1° | 141.4° |
| N34 | C1 | C37 | H37B | 146.1° | 95.3° |
| N34 | C1 | C37 | H37A | 92.6° | 141.4° |
| C37 | C1 | C2 | H2 | 11.2° | 0.3° |
| C1 | C37 | C36 | H36B | 83.2° | 83.0° |
| C1 | C37 | C36 | H36A | 155.0° | 153.1° |
| C1 | C37 | H37B | H37A | 121.8° | 123.3° |
| H1 | C1 | C2 | H2 | 137.5° | 121.6° |
| H1 | C1 | C37 | H37B | 26.5° | 143.9° |
| H1 | C1 | C37 | H37A | 147.7° | 20.6° |
| H10A | C10 | C9 | H9B | 163.9° | 180.0° |
| H10A | C10 | C9 | H9A | 44.8° | 60.0° |
| H10B | C10 | C9 | H9B | 77.0° | 60.0° |
| H10B | C10 | C9 | H9A | 163.8° | 180.0° |
| H15 | C15 | C16 | H16 | 0.0° | 0.1° |
| H19A | C19 | C20 | H20A | 57.0° | 178.4° |
| H19A | C19 | C20 | H20B | 176.5° | 58.4° |
| H19B | C19 | C20 | H20A | 62.6° | 58.4° |
| H19B | C19 | C20 | H20B | 56.9° | 61.6° |
| H22B | C22 | H22C | H22A | 120.0° | 120.0° |
| H23A | C23 | C24 | H24A | 57.7° | 61.7° |
| H23A | C23 | C24 | H24B | 62.0° | 58.4° |
| H23B | C23 | C24 | H24A | 177.3° | 58.4° |
| H23B | C23 | C24 | H24B | 57.6° | 178.5° |
| H25 | C25 | C26 | H26 | 0.1° | 0.1° |
| H29A | C29 | H29B | H29C | 120.0° | 120.1° |
| H35B | C35 | C36 | H36B | 29.9° | 159.4° |
| H35B | C35 | C36 | H36A | 91.9° | 35.5° |
| H35A | C35 | C36 | H36B | 151.9° | 37.3° |
| H35A | C35 | C36 | H36A | 30.1° | 86.6° |
| H36B | C36 | C37 | H37B | 36.2° | 158.7° |
| H36B | C36 | C37 | H37A | 157.5° | 35.4° |
| H36A | C36 | C37 | H37B | 85.6° | 34.8° |
| H36A | C36 | C37 | H37A | 35.6° | 88.5° |
| H8B | C8 | C9 | H9B | 57.3° | 180.0° |
| H8B | C8 | C9 | H9A | 176.4° | 59.9° |
| H8A | C8 | C9 | H9B | 62.9° | 60.0° |
| H8A | C8 | C9 | H9A | 56.2° | 179.9° |
