49L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N | sing | 1.47Å | 1.45Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.56Å | |
| C16 | O1 | sing | 1.43Å | 1.43Å | |
| N | C1 | sing | 1.47Å | 1.46Å | |
| C15 | C12 | sing | 1.54Å | 1.55Å | |
| C15 | C14 | sing | 1.54Å | 1.55Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | O2 | sing | 1.43Å | 1.43Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| O1 | C14 | sing | 1.43Å | 1.46Å | |
| C12 | C13 | sing | 1.54Å | 1.54Å | |
| C12 | O | sing | 1.43Å | 1.44Å | |
| C18 | C22 | sing | 1.53Å | 1.55Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.54Å | 1.54Å | |
| O2 | C21 | sing | 1.43Å | 1.43Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| O | C11 | sing | 1.36Å | 1.37Å | |
| C2 | N1 | sing | 1.47Å | 1.49Å | |
| C23 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C24 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | N1 | sing | 1.47Å | 1.48Å | |
| N1 | C4 | sing | 1.47Å | 1.49Å | |
| C4 | C5 | sing | 1.51Å | 1.49Å | |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.48Å | 1.46Å | |
| C5 | C7 | sing | 1.41Å | 1.42Å | Aromatic |
| C5 | C6 | doub | 1.35Å | 1.38Å | Aromatic |
| C7 | N3 | doub | 1.32Å | 1.31Å | Aromatic |
| C6 | N2 | sing | 1.35Å | 1.34Å | Aromatic |
| N3 | N2 | sing | 1.40Å | 1.33Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.08Å | 1.08Å | |
| N | H13 | sing | 1.01Å | 1.00Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.08Å | 1.08Å | |
| C10 | H20 | sing | 1.08Å | 1.08Å | |
| C9 | H21 | sing | 1.08Å | 1.08Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å | |
| C13 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C20 | H37 | sing | 1.09Å | 1.10Å | |
| C20 | H38 | sing | 1.09Å | 1.10Å | |
| C19 | H39 | sing | 1.09Å | 1.10Å | |
| C19 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N | C1 | 109.5° | 111.0° |
| C | N | H13 | 109.5° | 111.1° |
| N | C | H15 | 109.5° | 109.5° |
| N | C | H16 | 109.5° | 109.5° |
| N | C | H17 | 109.5° | 109.5° |
| C16 | C17 | C18 | 117.8° | 109.4° |
| C17 | C16 | O1 | 112.2° | 109.5° |
| C17 | C16 | H28 | 108.8° | 109.5° |
| C17 | C16 | H29 | 108.8° | 109.5° |
| C16 | C17 | H30 | 107.3° | 109.5° |
| C16 | C17 | H31 | 107.4° | 109.4° |
| C17 | C18 | C19 | 109.7° | 109.5° |
| C17 | C18 | C22 | 117.8° | 109.5° |
| C18 | C17 | H30 | 107.3° | 109.5° |
| C18 | C17 | H31 | 107.3° | 109.5° |
| C17 | C18 | H32 | 107.4° | 109.6° |
| C16 | O1 | C14 | 120.1° | 114.0° |
| O1 | C16 | H28 | 108.8° | 109.4° |
| O1 | C16 | H29 | 108.8° | 109.4° |
| N | C1 | C2 | 112.2° | 109.5° |
| N | C1 | H1 | 108.8° | 109.5° |
| N | C1 | H2 | 108.8° | 109.5° |
| C1 | N | H13 | 109.5° | 111.0° |
| C12 | C15 | C14 | 88.0° | 87.1° |
| C15 | C12 | C13 | 86.7° | 87.1° |
| C15 | C12 | O | 116.8° | 113.6° |
| C15 | C12 | H22 | 112.2° | 113.7° |
| C12 | C15 | H23 | 114.5° | 113.6° |
| C12 | C15 | H24 | 114.5° | 113.6° |
| C15 | C14 | O1 | 122.7° | 113.6° |
| C15 | C14 | C13 | 86.8° | 87.1° |
| C14 | C15 | H23 | 114.5° | 113.6° |
| C14 | C15 | H24 | 114.5° | 113.7° |
| C15 | C14 | H25 | 110.5° | 113.6° |
| C19 | C20 | O2 | 112.5° | 109.4° |
| C20 | C19 | C18 | 112.8° | 109.1° |
| C19 | C20 | H37 | 108.7° | 109.5° |
| C19 | C20 | H38 | 108.7° | 109.5° |
| C20 | C19 | H39 | 108.6° | 109.5° |
| C20 | C19 | H40 | 108.6° | 109.5° |
| C20 | O2 | C21 | 116.3° | 114.1° |
| O2 | C20 | H37 | 108.7° | 109.5° |
| O2 | C20 | H38 | 108.7° | 109.5° |
| C19 | C18 | C22 | 106.5° | 109.0° |
| C19 | C18 | H32 | 107.6° | 109.6° |
| C18 | C19 | H39 | 108.6° | 109.5° |
| C18 | C19 | H40 | 108.6° | 109.5° |
| O1 | C14 | C13 | 111.6° | 113.7° |
| O1 | C14 | H25 | 111.9° | 112.8° |
| C13 | C12 | O | 111.5° | 113.6° |
| C12 | C13 | C14 | 88.8° | 87.1° |
| C13 | C12 | H22 | 112.5° | 113.6° |
| C12 | C13 | H26 | 114.3° | 113.6° |
| C12 | C13 | H27 | 114.4° | 113.7° |
| C12 | O | C11 | 120.3° | 117.0° |
| O | C12 | H22 | 114.1° | 112.8° |
| C18 | C22 | C21 | 112.5° | 109.2° |
| C22 | C18 | H32 | 107.4° | 109.5° |
| C18 | C22 | H33 | 108.7° | 109.5° |
| C18 | C22 | H34 | 108.7° | 109.5° |
| C1 | C2 | N1 | 112.5° | 109.5° |
| C2 | C1 | H1 | 108.8° | 109.4° |
| C2 | C1 | H2 | 108.8° | 109.4° |
| C1 | C2 | H3 | 108.7° | 109.5° |
| C1 | C2 | H4 | 108.7° | 109.5° |
| C13 | C14 | H25 | 110.6° | 113.7° |
| C14 | C13 | H26 | 114.3° | 113.6° |
| C14 | C13 | H27 | 114.3° | 113.6° |
| O2 | C21 | C22 | 111.1° | 109.4° |
| O2 | C21 | H35 | 109.1° | 109.4° |
| O2 | C21 | H36 | 109.1° | 109.5° |
| C21 | C22 | H33 | 108.7° | 109.6° |
| C21 | C22 | H34 | 108.7° | 109.6° |
| C22 | C21 | H35 | 109.1° | 109.5° |
| C22 | C21 | H36 | 109.1° | 109.5° |
| O | C11 | C23 | 126.1° | 119.9° |
| O | C11 | C10 | 113.7° | 119.9° |
| C2 | N1 | C3 | 111.4° | 111.0° |
| C2 | N1 | C4 | 112.7° | 111.0° |
| N1 | C2 | H3 | 108.7° | 109.5° |
| N1 | C2 | H4 | 108.7° | 109.5° |
| C11 | C23 | C24 | 119.1° | 120.0° |
| C23 | C11 | C10 | 120.1° | 120.1° |
| C11 | C23 | H19 | 120.4° | 120.0° |
| C23 | C24 | C8 | 120.8° | 120.0° |
| C23 | C24 | H18 | 119.6° | 120.0° |
| C24 | C23 | H19 | 120.4° | 120.0° |
| C11 | C10 | C9 | 120.5° | 120.1° |
| C11 | C10 | H20 | 119.8° | 119.9° |
| C24 | C8 | C9 | 118.5° | 119.9° |
| C24 | C8 | C7 | 120.8° | 120.1° |
| C8 | C24 | H18 | 119.6° | 120.0° |
| C3 | N1 | C4 | 113.1° | 111.0° |
| N1 | C3 | H6 | 109.5° | 109.4° |
| N1 | C3 | H7 | 109.5° | 109.5° |
| N1 | C3 | H8 | 109.4° | 109.5° |
| N1 | C4 | C5 | 112.7° | 109.5° |
| N1 | C4 | H9 | 108.7° | 109.5° |
| N1 | C4 | H10 | 108.7° | 109.5° |
| C4 | C5 | C7 | 129.1° | 126.0° |
| C4 | C5 | C6 | 125.2° | 126.1° |
| C5 | C4 | H9 | 108.7° | 109.5° |
| C5 | C4 | H10 | 108.7° | 109.5° |
| C10 | C9 | C8 | 120.9° | 119.9° |
| C9 | C10 | H20 | 119.7° | 120.0° |
| C10 | C9 | H21 | 119.5° | 120.0° |
| C9 | C8 | C7 | 120.6° | 120.1° |
| C8 | C9 | H21 | 119.6° | 120.1° |
| C8 | C7 | C5 | 130.0° | 126.1° |
| C8 | C7 | N3 | 119.8° | 126.1° |
| C7 | C5 | C6 | 105.8° | 107.9° |
| C5 | C7 | N3 | 110.2° | 107.9° |
| C5 | C6 | N2 | 104.2° | 108.0° |
| C5 | C6 | H11 | 127.9° | 126.0° |
| C7 | N3 | N2 | 104.8° | 108.1° |
| C6 | N2 | N3 | 115.0° | 108.1° |
| C6 | N2 | H5 | 122.5° | 126.0° |
| N2 | C6 | H11 | 127.9° | 126.0° |
| N3 | N2 | H5 | 122.5° | 125.9° |
| H1 | C1 | H2 | 109.4° | 109.4° |
| H3 | C2 | H4 | 109.5° | 109.5° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H6 | C3 | H8 | 109.5° | 109.5° |
| H7 | C3 | H8 | 109.5° | 109.4° |
| H9 | C4 | H10 | 109.5° | 109.5° |
| H15 | C | H16 | 109.4° | 109.5° |
| H15 | C | H17 | 109.4° | 109.4° |
| H16 | C | H17 | 109.5° | 109.4° |
| H23 | C15 | H24 | 109.5° | 112.8° |
| H26 | C13 | H27 | 109.5° | 112.9° |
| H28 | C16 | H29 | 109.4° | 109.5° |
| H30 | C17 | H31 | 109.4° | 109.5° |
| H33 | C22 | H34 | 109.4° | 109.5° |
| H35 | C21 | H36 | 109.5° | 109.5° |
| H37 | C20 | H38 | 109.5° | 109.5° |
| H39 | C19 | H40 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N | C1 | H13 | 120.0° | 124.0° |
| C | N | C1 | C2 | 168.9° | 180.0° |
| C | N | C1 | H1 | 70.7° | 60.0° |
| C | N | C1 | H2 | 48.5° | 60.0° |
| N | C | H15 | H16 | 120.0° | 120.0° |
| N | C | H15 | H17 | 120.0° | 120.1° |
| N | C | H16 | H17 | 120.0° | 120.1° |
| C16 | C17 | C18 | H30 | 121.2° | 120.0° |
| C16 | C17 | C18 | H31 | 121.2° | 119.9° |
| C17 | C16 | O1 | H28 | 120.4° | 120.0° |
| C17 | C16 | O1 | H29 | 120.4° | 120.0° |
| C16 | C17 | C18 | C19 | 179.0° | 65.5° |
| C17 | C16 | O1 | C14 | 146.5° | 179.9° |
| C16 | C17 | C18 | C22 | 57.1° | 175.0° |
| C17 | C16 | H28 | H29 | 118.7° | 120.1° |
| C16 | C17 | H30 | H31 | 116.2° | 120.0° |
| C16 | C17 | C18 | H32 | 64.3° | 54.8° |
| C18 | C17 | C16 | O1 | 4.1° | 180.0° |
| C17 | C18 | C19 | C20 | 75.3° | 176.8° |
| C17 | C18 | C19 | C22 | 128.5° | 119.8° |
| C17 | C18 | C19 | H32 | 116.6° | 120.3° |
| C17 | C18 | C22 | H32 | 121.3° | 120.2° |
| C17 | C18 | C22 | C21 | 68.6° | 176.8° |
| C18 | C17 | C16 | H28 | 116.3° | 60.0° |
| C18 | C17 | C16 | H29 | 124.6° | 60.1° |
| C18 | C17 | H30 | H31 | 116.2° | 120.1° |
| C17 | C18 | C22 | H33 | 51.8° | 56.9° |
| C17 | C18 | C22 | H34 | 170.9° | 63.1° |
| C17 | C18 | C19 | H39 | 45.2° | 63.3° |
| C17 | C18 | C19 | H40 | 164.2° | 56.9° |
| C16 | O1 | C14 | C15 | 7.5° | 150.0° |
| C16 | O1 | C14 | C13 | 108.0° | 112.5° |
| C16 | O1 | C14 | H25 | 127.5° | 18.9° |
| O1 | C16 | H28 | H29 | 118.8° | 120.0° |
| O1 | C16 | C17 | H30 | 117.1° | 60.0° |
| O1 | C16 | C17 | H31 | 125.4° | 60.0° |
| N | C1 | C2 | H1 | 120.4° | 120.1° |
| N | C1 | C2 | H2 | 120.4° | 120.0° |
| N | C1 | C2 | N1 | 167.1° | 180.0° |
| N | C1 | H1 | H2 | 118.8° | 120.1° |
| N | C1 | C2 | H3 | 72.5° | 60.0° |
| N | C1 | C2 | H4 | 46.6° | 60.0° |
| C1 | N | C | H15 | 180.0° | 180.0° |
| C1 | N | C | H16 | 60.0° | 60.0° |
| C1 | N | C | H17 | 60.0° | 60.0° |
| C12 | C15 | C14 | H23 | 116.2° | 114.6° |
| C12 | C15 | C14 | H24 | 116.2° | 114.6° |
| C12 | C15 | C14 | O1 | 136.8° | 140.0° |
| C15 | C12 | C13 | O | 117.6° | 114.6° |
| C15 | C12 | C13 | H22 | 112.7° | 114.7° |
| C15 | C12 | O | H22 | 133.7° | 131.3° |
| C12 | C15 | C14 | C13 | 23.2° | 25.4° |
| C15 | C12 | O | C11 | 169.5° | 105.8° |
| C12 | C15 | H23 | H24 | 130.2° | 131.2° |
| C12 | C15 | C14 | H25 | 87.7° | 89.2° |
| C15 | C12 | C13 | H26 | 139.6° | 140.0° |
| C15 | C12 | C13 | H27 | 93.0° | 89.1° |
| C15 | C14 | O1 | C13 | 100.5° | 97.5° |
| C15 | C14 | O1 | H25 | 135.0° | 131.1° |
| C14 | C15 | C12 | O | 89.3° | 89.2° |
| C15 | C14 | C13 | H25 | 110.7° | 114.5° |
| C14 | C15 | C12 | H22 | 136.2° | 140.0° |
| C14 | C15 | H23 | H24 | 130.2° | 131.3° |
| C15 | C14 | C13 | H26 | 139.7° | 140.0° |
| C15 | C14 | C13 | H27 | 92.9° | 89.1° |
| C19 | C20 | O2 | H37 | 120.4° | 120.0° |
| C19 | C20 | O2 | H38 | 120.5° | 120.0° |
| C20 | C19 | C18 | H39 | 120.5° | 119.9° |
| C20 | C19 | C18 | H40 | 120.5° | 119.9° |
| C20 | C19 | C18 | C22 | 53.2° | 57.0° |
| C19 | C20 | O2 | C21 | 51.6° | 61.1° |
| C20 | C19 | C18 | H32 | 168.1° | 62.9° |
| C19 | C20 | H37 | H38 | 118.6° | 120.0° |
| C20 | C19 | H39 | H40 | 118.5° | 120.1° |
| O2 | C20 | C19 | C18 | 52.2° | 57.6° |
| C20 | O2 | C21 | C22 | 52.8° | 61.1° |
| C20 | O2 | C21 | H35 | 173.0° | 178.9° |
| C20 | O2 | C21 | H36 | 67.5° | 58.9° |
| O2 | C20 | H37 | H38 | 118.6° | 120.0° |
| O2 | C20 | C19 | H39 | 172.7° | 177.5° |
| O2 | C20 | C19 | H40 | 68.2° | 62.3° |
| C19 | C18 | C22 | H32 | 115.0° | 119.9° |
| C19 | C18 | C22 | C21 | 55.0° | 57.0° |
| C19 | C18 | C17 | H30 | 59.8° | 54.5° |
| C19 | C18 | C17 | H31 | 57.8° | 174.6° |
| C19 | C18 | C22 | H33 | 175.5° | 63.0° |
| C19 | C18 | C22 | H34 | 65.5° | 177.0° |
| C18 | C19 | C20 | H37 | 172.7° | 177.6° |
| C18 | C19 | C20 | H38 | 68.2° | 62.4° |
| C18 | C19 | H39 | H40 | 118.5° | 120.2° |
| O1 | C14 | C13 | C12 | 147.5° | 140.0° |
| O1 | C14 | C13 | H25 | 125.2° | 130.9° |
| O1 | C14 | C15 | H23 | 20.7° | 25.5° |
| O1 | C14 | C15 | H24 | 107.0° | 105.4° |
| O1 | C14 | C13 | H26 | 96.2° | 105.5° |
| O1 | C14 | C13 | H27 | 31.1° | 25.4° |
| C14 | O1 | C16 | H28 | 26.1° | 60.0° |
| C14 | O1 | C16 | H29 | 93.1° | 59.9° |
| C13 | C12 | O | H22 | 128.8° | 131.1° |
| C12 | C13 | C14 | H26 | 116.3° | 114.5° |
| C12 | C13 | C14 | H27 | 116.3° | 114.6° |
| C13 | C12 | O | C11 | 72.0° | 156.7° |
| C13 | C12 | C15 | H23 | 92.9° | 89.1° |
| C13 | C12 | C15 | H24 | 139.4° | 140.0° |
| C12 | C13 | C14 | H25 | 87.3° | 89.1° |
| C12 | C13 | H26 | H27 | 129.9° | 131.3° |
| O | C12 | C13 | C14 | 94.2° | 89.2° |
| C12 | O | C11 | C23 | 10.0° | 174.3° |
| C12 | O | C11 | C10 | 172.0° | 5.7° |
| O | C12 | C15 | H23 | 154.6° | 156.3° |
| O | C12 | C15 | H24 | 26.9° | 25.5° |
| O | C12 | C13 | H26 | 22.0° | 25.4° |
| O | C12 | C13 | H27 | 149.5° | 156.3° |
| C18 | C22 | C21 | O2 | 55.1° | 57.6° |
| C18 | C22 | C21 | H33 | 120.5° | 119.9° |
| C18 | C22 | C21 | H34 | 120.5° | 119.9° |
| C22 | C18 | C17 | H30 | 178.3° | 65.0° |
| C22 | C18 | C17 | H31 | 64.2° | 55.1° |
| C18 | C22 | H33 | H34 | 118.6° | 120.1° |
| C18 | C22 | C21 | H35 | 175.3° | 177.6° |
| C18 | C22 | C21 | H36 | 65.2° | 62.4° |
| C22 | C18 | C19 | H39 | 173.7° | 176.8° |
| C22 | C18 | C19 | H40 | 67.3° | 62.9° |
| C1 | C2 | N1 | H3 | 120.5° | 120.0° |
| C1 | C2 | N1 | H4 | 120.4° | 120.0° |
| C1 | C2 | N1 | C3 | 63.9° | 66.1° |
| C1 | C2 | N1 | C4 | 64.5° | 170.0° |
| C2 | C1 | H1 | H2 | 118.8° | 119.9° |
| C1 | C2 | H3 | H4 | 118.6° | 120.0° |
| C2 | C1 | N | H13 | 48.9° | 56.0° |
| C14 | C13 | C12 | H22 | 136.1° | 140.1° |
| C13 | C14 | C15 | H23 | 93.0° | 89.1° |
| C13 | C14 | C15 | H24 | 139.4° | 140.0° |
| C14 | C13 | H26 | H27 | 129.8° | 131.2° |
| O2 | C21 | C22 | H35 | 120.2° | 120.0° |
| O2 | C21 | C22 | H36 | 120.3° | 120.0° |
| O2 | C21 | C22 | H33 | 175.5° | 62.3° |
| O2 | C21 | C22 | H34 | 65.4° | 177.6° |
| O2 | C21 | H35 | H36 | 119.3° | 120.0° |
| C21 | O2 | C20 | H37 | 172.0° | 178.9° |
| C21 | O2 | C20 | H38 | 68.9° | 58.9° |
| C21 | C22 | C18 | H32 | 170.0° | 62.9° |
| C21 | C22 | H33 | H34 | 118.6° | 120.2° |
| C22 | C21 | H35 | H36 | 119.3° | 120.1° |
| O | C11 | C23 | C10 | 177.9° | 180.0° |
| O | C11 | C23 | C24 | 178.5° | 180.0° |
| O | C11 | C10 | C9 | 178.7° | 180.0° |
| O | C11 | C23 | H19 | 1.5° | 0.0° |
| O | C11 | C10 | H20 | 1.4° | 0.0° |
| C11 | O | C12 | H22 | 56.8° | 25.6° |
| C2 | N1 | C3 | C4 | 128.2° | 123.9° |
| C2 | N1 | C4 | C5 | 167.8° | 170.0° |
| N1 | C2 | C1 | H1 | 46.6° | 59.9° |
| N1 | C2 | C1 | H2 | 72.5° | 60.0° |
| N1 | C2 | H3 | H4 | 118.6° | 120.0° |
| C2 | N1 | C3 | H6 | 180.0° | 60.0° |
| C2 | N1 | C3 | H7 | 60.0° | 179.9° |
| C2 | N1 | C3 | H8 | 60.0° | 60.0° |
| C2 | N1 | C4 | H9 | 47.3° | 70.0° |
| C2 | N1 | C4 | H10 | 71.8° | 50.0° |
| C11 | C23 | C24 | H19 | 180.0° | 180.0° |
| C11 | C23 | C24 | C8 | 0.9° | 0.0° |
| C23 | C11 | C10 | C9 | 0.5° | 0.0° |
| C11 | C23 | C24 | H18 | 179.1° | 180.0° |
| C23 | C11 | C10 | H20 | 179.5° | 180.0° |
| C24 | C23 | C11 | C10 | 0.5° | 0.0° |
| C23 | C24 | C8 | H18 | 180.0° | 180.0° |
| C23 | C24 | C8 | C9 | 1.2° | 0.0° |
| C23 | C24 | C8 | C7 | 179.6° | 179.7° |
| C11 | C10 | C9 | H20 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.8° | 0.0° |
| C10 | C11 | C23 | H19 | 179.5° | 180.0° |
| C11 | C10 | C9 | H21 | 179.2° | 179.7° |
| C24 | C8 | C9 | C10 | 1.2° | 0.0° |
| C24 | C8 | C9 | C7 | 179.2° | 179.8° |
| C24 | C8 | C7 | C5 | 53.1° | 34.8° |
| C24 | C8 | C7 | N3 | 126.2° | 145.3° |
| C8 | C24 | C23 | H19 | 179.1° | 180.0° |
| C24 | C8 | C9 | H21 | 178.8° | 179.7° |
| C3 | N1 | C4 | C5 | 64.7° | 66.0° |
| C3 | N1 | C2 | H3 | 56.6° | 173.9° |
| C3 | N1 | C2 | H4 | 175.6° | 54.0° |
| N1 | C3 | H6 | H7 | 120.0° | 120.0° |
| N1 | C3 | H6 | H8 | 120.0° | 120.0° |
| N1 | C3 | H7 | H8 | 120.0° | 120.0° |
| C3 | N1 | C4 | H9 | 174.8° | 54.0° |
| C3 | N1 | C4 | H10 | 55.8° | 174.0° |
| N1 | C4 | C5 | H9 | 120.5° | 120.0° |
| N1 | C4 | C5 | H10 | 120.5° | 120.0° |
| N1 | C4 | C5 | C7 | 95.6° | 80.0° |
| N1 | C4 | C5 | C6 | 83.5° | 99.9° |
| C4 | N1 | C2 | H3 | 175.0° | 50.0° |
| C4 | N1 | C2 | H4 | 55.9° | 70.0° |
| C4 | N1 | C3 | H6 | 51.8° | 176.0° |
| C4 | N1 | C3 | H7 | 68.3° | 56.0° |
| C4 | N1 | C3 | H8 | 171.8° | 64.0° |
| N1 | C4 | H9 | H10 | 118.5° | 120.0° |
| C4 | C5 | C7 | C8 | 1.3° | 0.1° |
| C4 | C5 | C7 | C6 | 179.2° | 179.9° |
| C4 | C5 | C7 | N3 | 179.4° | 180.0° |
| C4 | C5 | C6 | N2 | 179.6° | 179.8° |
| C5 | C4 | H9 | H10 | 118.5° | 120.0° |
| C4 | C5 | C6 | H11 | 0.5° | 0.2° |
| C10 | C9 | C8 | H21 | 180.0° | 179.7° |
| C10 | C9 | C8 | C7 | 179.6° | 179.8° |
| C9 | C8 | C7 | C5 | 127.7° | 145.0° |
| C9 | C8 | C7 | N3 | 53.0° | 34.9° |
| C9 | C8 | C24 | H18 | 178.8° | 180.0° |
| C8 | C9 | C10 | H20 | 179.2° | 180.0° |
| C8 | C7 | C5 | N3 | 179.3° | 179.9° |
| C8 | C7 | C5 | C6 | 179.5° | 180.0° |
| C8 | C7 | N3 | N2 | 178.4° | 179.9° |
| C7 | C8 | C24 | H18 | 0.4° | 0.2° |
| C7 | C8 | C9 | H21 | 0.4° | 0.1° |
| C7 | C5 | C6 | N2 | 1.2° | 0.1° |
| C5 | C7 | N3 | N2 | 1.0° | 0.2° |
| C7 | C5 | C4 | H9 | 144.0° | 160.0° |
| C7 | C5 | C4 | H10 | 24.9° | 40.0° |
| C7 | C5 | C6 | H11 | 178.8° | 179.8° |
| C6 | C5 | C7 | N3 | 0.1° | 0.0° |
| C5 | C6 | N2 | H11 | 180.0° | 180.0° |
| C5 | C6 | N2 | N3 | 1.9° | 0.3° |
| C5 | C6 | N2 | H5 | 178.1° | 180.0° |
| C6 | C5 | C4 | H9 | 37.0° | 20.1° |
| C6 | C5 | C4 | H10 | 156.0° | 140.1° |
| C7 | N3 | N2 | C6 | 1.8° | 0.3° |
| C7 | N3 | N2 | H5 | 178.1° | 180.0° |
| C6 | N2 | N3 | H5 | 180.0° | 179.7° |
| N3 | N2 | C6 | H11 | 178.0° | 179.7° |
| H1 | C1 | C2 | H3 | 167.1° | 60.1° |
| H1 | C1 | C2 | H4 | 73.8° | 179.9° |
| H1 | C1 | N | H13 | 169.3° | 64.0° |
| H2 | C1 | C2 | H3 | 47.9° | 180.0° |
| H2 | C1 | C2 | H4 | 167.0° | 60.1° |
| H2 | C1 | N | H13 | 71.5° | 176.0° |
| H5 | N2 | C6 | H11 | 2.0° | 0.0° |
| H6 | C3 | H7 | H8 | 120.0° | 120.0° |
| H13 | N | C | H15 | 60.0° | 56.0° |
| H13 | N | C | H16 | 60.0° | 63.9° |
| H13 | N | C | H17 | 180.0° | 176.1° |
| H15 | C | H16 | H17 | 119.9° | 119.9° |
| H18 | C24 | C23 | H19 | 0.9° | 0.0° |
| H20 | C10 | C9 | H21 | 0.8° | 0.3° |
| H22 | C12 | C15 | H23 | 20.0° | 25.4° |
| H22 | C12 | C15 | H24 | 107.6° | 105.4° |
| H22 | C12 | C13 | H26 | 107.7° | 105.4° |
| H22 | C12 | C13 | H27 | 19.8° | 25.6° |
| H23 | C15 | C14 | H25 | 156.2° | 156.2° |
| H24 | C15 | C14 | H25 | 28.5° | 25.4° |
| H25 | C14 | C13 | H26 | 29.0° | 25.4° |
| H25 | C14 | C13 | H27 | 156.4° | 156.3° |
| H28 | C16 | C17 | H30 | 122.5° | 180.0° |
| H28 | C16 | C17 | H31 | 4.9° | 60.0° |
| H29 | C16 | C17 | H30 | 3.4° | 60.0° |
| H29 | C16 | C17 | H31 | 114.2° | 180.0° |
| H30 | C17 | C18 | H32 | 56.9° | 174.8° |
| H31 | C17 | C18 | H32 | 174.5° | 65.1° |
| H32 | C18 | C22 | H33 | 69.5° | 177.1° |
| H32 | C18 | C22 | H34 | 49.6° | 57.1° |
| H32 | C18 | C19 | H39 | 71.4° | 57.0° |
| H32 | C18 | C19 | H40 | 47.7° | 177.2° |
| H33 | C22 | C21 | H35 | 64.2° | 57.7° |
| H33 | C22 | C21 | H36 | 55.3° | 177.7° |
| H34 | C22 | C21 | H35 | 54.8° | 62.5° |
| H34 | C22 | C21 | H36 | 174.3° | 57.6° |
| H37 | C20 | C19 | H39 | 66.8° | 62.5° |
| H37 | C20 | C19 | H40 | 52.2° | 57.7° |
| H38 | C20 | C19 | H39 | 52.3° | 57.5° |
| H38 | C20 | C19 | H40 | 171.3° | 177.7° |
