I5X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | S24 | sing | 1.81Å | 1.76Å | |
| S24 | C23 | sing | 1.81Å | 1.76Å | |
| O26 | C12 | doub | 1.22Å | 1.22Å | |
| N9 | C5 | sing | 1.36Å | 1.35Å | Aromatic |
| N9 | C8 | doub | 1.30Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.37Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C10 | C8 | sing | 1.51Å | 1.48Å | |
| C10 | C22 | sing | 1.53Å | 1.52Å | |
| C10 | N11 | sing | 1.47Å | 1.46Å | |
| C5 | C6 | doub | 1.40Å | 1.48Å | Aromatic |
| C29 | C19 | sing | 1.53Å | 1.52Å | |
| C12 | N11 | sing | 1.35Å | 1.33Å | |
| C12 | C13 | sing | 1.47Å | 1.49Å | |
| C8 | N7 | sing | 1.36Å | 1.35Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| N17 | C13 | sing | 1.38Å | 1.36Å | Aromatic |
| N17 | C16 | sing | 1.33Å | 1.34Å | Aromatic |
| C13 | C14 | doub | 1.37Å | 1.51Å | Aromatic |
| C16 | C18 | sing | 1.51Å | 1.47Å | |
| C16 | C15 | doub | 1.39Å | 1.45Å | Aromatic |
| C6 | N7 | sing | 1.38Å | 1.34Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C19 | C30 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.55Å | |
| C14 | C15 | sing | 1.40Å | 1.48Å | Aromatic |
| C14 | C27 | sing | 1.51Å | 1.51Å | |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C21 | sing | 1.47Å | 1.48Å | |
| C20 | C21 | sing | 1.52Å | 1.53Å | |
| C21 | O28 | doub | 1.21Å | 1.22Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C27 | H2 | sing | 1.09Å | 1.10Å | |
| C27 | H3 | sing | 1.09Å | 1.10Å | |
| C27 | H4 | sing | 1.09Å | 1.10Å | |
| C29 | H5 | sing | 1.09Å | 1.10Å | |
| C29 | H6 | sing | 1.09Å | 1.10Å | |
| C29 | H7 | sing | 1.09Å | 1.10Å | |
| C30 | H8 | sing | 1.09Å | 1.10Å | |
| C30 | H9 | sing | 1.09Å | 1.10Å | |
| C30 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H24 | sing | 1.08Å | 1.08Å | |
| C4 | H25 | sing | 1.08Å | 1.08Å | |
| N11 | H26 | sing | 0.97Å | 1.00Å | |
| N17 | H27 | sing | 0.97Å | 1.00Å | |
| N7 | H28 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | S24 | C23 | 108.3° | 103.0° |
| S24 | C25 | H21 | 109.5° | 109.5° |
| S24 | C25 | H22 | 109.5° | 109.5° |
| S24 | C25 | H23 | 109.5° | 109.5° |
| S24 | C23 | C22 | 110.8° | 109.5° |
| S24 | C23 | H19 | 109.1° | 109.5° |
| S24 | C23 | H20 | 109.1° | 109.5° |
| O26 | C12 | N11 | 120.9° | 120.0° |
| O26 | C12 | C13 | 117.0° | 120.0° |
| C5 | N9 | C8 | 108.2° | 109.7° |
| N9 | C5 | C4 | 134.4° | 133.6° |
| N9 | C5 | C6 | 106.0° | 106.9° |
| N9 | C8 | C10 | 124.8° | 124.9° |
| N9 | C8 | N7 | 110.6° | 110.1° |
| C5 | C4 | C3 | 118.9° | 119.9° |
| C4 | C5 | C6 | 119.6° | 119.4° |
| C5 | C4 | H25 | 120.5° | 120.1° |
| C4 | C3 | C2 | 121.6° | 120.7° |
| C4 | C3 | H24 | 119.2° | 119.7° |
| C3 | C4 | H25 | 120.6° | 120.0° |
| C23 | C22 | C10 | 113.1° | 109.5° |
| C23 | C22 | H17 | 108.6° | 109.4° |
| C23 | C22 | H18 | 108.5° | 109.5° |
| C22 | C23 | H19 | 109.2° | 109.4° |
| C22 | C23 | H20 | 109.1° | 109.5° |
| C8 | C10 | C22 | 107.6° | 109.5° |
| C8 | C10 | N11 | 111.6° | 109.4° |
| C10 | C8 | N7 | 124.5° | 125.0° |
| C8 | C10 | H1 | 109.1° | 109.5° |
| C22 | C10 | N11 | 110.3° | 109.5° |
| C22 | C10 | H1 | 108.6° | 109.5° |
| C10 | C22 | H17 | 108.6° | 109.5° |
| C10 | C22 | H18 | 108.5° | 109.5° |
| C10 | N11 | C12 | 121.0° | 120.0° |
| N11 | C10 | H1 | 109.5° | 109.5° |
| C10 | N11 | H26 | 119.5° | 120.0° |
| C5 | C6 | N7 | 106.3° | 106.0° |
| C5 | C6 | C1 | 119.6° | 119.9° |
| C29 | C19 | C18 | 108.1° | 109.2° |
| C29 | C19 | C30 | 108.1° | 109.3° |
| C29 | C19 | C20 | 110.1° | 109.3° |
| C19 | C29 | H5 | 109.5° | 109.5° |
| C19 | C29 | H6 | 109.5° | 109.4° |
| C19 | C29 | H7 | 109.5° | 109.5° |
| N11 | C12 | C13 | 122.1° | 120.0° |
| C12 | N11 | H26 | 119.5° | 120.0° |
| C12 | C13 | N17 | 124.8° | 125.8° |
| C12 | C13 | C14 | 123.5° | 125.8° |
| C8 | N7 | C6 | 108.9° | 107.3° |
| C8 | N7 | H28 | 125.5° | 126.3° |
| C3 | C2 | C1 | 121.5° | 120.4° |
| C3 | C2 | H14 | 119.2° | 119.8° |
| C2 | C3 | H24 | 119.2° | 119.6° |
| C13 | N17 | C16 | 107.9° | 109.3° |
| N17 | C13 | C14 | 111.7° | 108.5° |
| C13 | N17 | H27 | 126.0° | 125.3° |
| N17 | C16 | C18 | 125.9° | 129.2° |
| N17 | C16 | C15 | 112.7° | 107.9° |
| C16 | N17 | H27 | 126.1° | 125.4° |
| C13 | C14 | C15 | 101.6° | 106.6° |
| C13 | C14 | C27 | 131.4° | 126.7° |
| C18 | C16 | C15 | 121.3° | 122.9° |
| C16 | C18 | C19 | 113.6° | 109.2° |
| C16 | C18 | H12 | 108.5° | 109.5° |
| C16 | C18 | H13 | 108.4° | 109.5° |
| C16 | C15 | C14 | 106.1° | 107.7° |
| C16 | C15 | C21 | 120.8° | 121.6° |
| N7 | C6 | C1 | 134.1° | 134.1° |
| C6 | N7 | H28 | 125.6° | 126.3° |
| C6 | C1 | C2 | 118.9° | 119.7° |
| C6 | C1 | H11 | 120.5° | 120.2° |
| C18 | C19 | C30 | 108.5° | 109.2° |
| C18 | C19 | C20 | 111.9° | 110.7° |
| C19 | C18 | H12 | 108.4° | 109.5° |
| C19 | C18 | H13 | 108.4° | 109.5° |
| C30 | C19 | C20 | 110.1° | 109.2° |
| C19 | C30 | H8 | 109.5° | 109.4° |
| C19 | C30 | H9 | 109.5° | 109.5° |
| C19 | C30 | H10 | 109.5° | 109.4° |
| C19 | C20 | C21 | 117.5° | 108.5° |
| C19 | C20 | H15 | 107.4° | 109.7° |
| C19 | C20 | H16 | 107.5° | 109.7° |
| C15 | C14 | C27 | 127.0° | 126.7° |
| C14 | C15 | C21 | 133.1° | 130.7° |
| C14 | C27 | H2 | 109.5° | 109.5° |
| C14 | C27 | H3 | 109.5° | 109.4° |
| C14 | C27 | H4 | 109.5° | 109.5° |
| C2 | C1 | H11 | 120.6° | 120.1° |
| C1 | C2 | H14 | 119.2° | 119.8° |
| C15 | C21 | C20 | 116.5° | 115.1° |
| C15 | C21 | O28 | 121.3° | 122.5° |
| C20 | C21 | O28 | 122.1° | 122.5° |
| C21 | C20 | H15 | 107.4° | 109.6° |
| C21 | C20 | H16 | 107.4° | 109.7° |
| H2 | C27 | H3 | 109.4° | 109.5° |
| H2 | C27 | H4 | 109.4° | 109.4° |
| H3 | C27 | H4 | 109.5° | 109.5° |
| H5 | C29 | H6 | 109.5° | 109.4° |
| H5 | C29 | H7 | 109.5° | 109.5° |
| H6 | C29 | H7 | 109.5° | 109.4° |
| H8 | C30 | H9 | 109.5° | 109.5° |
| H8 | C30 | H10 | 109.4° | 109.5° |
| H9 | C30 | H10 | 109.5° | 109.5° |
| H12 | C18 | H13 | 109.5° | 109.5° |
| H15 | C20 | H16 | 109.4° | 109.7° |
| H17 | C22 | H18 | 109.5° | 109.5° |
| H19 | C23 | H20 | 109.5° | 109.4° |
| H21 | C25 | H22 | 109.5° | 109.4° |
| H21 | C25 | H23 | 109.4° | 109.5° |
| H22 | C25 | H23 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | S24 | C23 | C22 | 93.5° | 180.0° |
| C25 | S24 | C23 | H19 | 26.7° | 60.0° |
| C25 | S24 | C23 | H20 | 146.3° | 60.0° |
| S24 | C25 | H21 | H22 | 120.0° | 120.0° |
| S24 | C25 | H21 | H23 | 120.0° | 120.1° |
| S24 | C25 | H22 | H23 | 120.0° | 120.0° |
| S24 | C23 | C22 | H19 | 120.2° | 120.0° |
| S24 | C23 | C22 | H20 | 120.2° | 120.1° |
| S24 | C23 | C22 | C10 | 58.8° | 180.0° |
| S24 | C23 | C22 | H17 | 61.8° | 60.0° |
| S24 | C23 | C22 | H18 | 179.3° | 59.9° |
| S24 | C23 | H19 | H20 | 119.4° | 120.0° |
| C23 | S24 | C25 | H21 | 180.0° | 180.0° |
| C23 | S24 | C25 | H22 | 60.0° | 60.0° |
| C23 | S24 | C25 | H23 | 60.0° | 60.0° |
| O26 | C12 | N11 | C10 | 7.7° | 0.0° |
| O26 | C12 | N11 | C13 | 179.5° | 180.0° |
| O26 | C12 | C13 | N17 | 10.0° | 179.7° |
| O26 | C12 | C13 | C14 | 168.6° | 0.0° |
| O26 | C12 | N11 | H26 | 172.3° | 180.0° |
| N9 | C5 | C4 | C6 | 180.0° | 179.7° |
| N9 | C5 | C4 | C3 | 180.0° | 180.0° |
| C5 | N9 | C8 | C10 | 179.1° | 179.8° |
| C5 | N9 | C8 | N7 | 1.0° | 0.3° |
| N9 | C5 | C6 | N7 | 0.0° | 0.2° |
| N9 | C5 | C6 | C1 | 180.0° | 179.7° |
| N9 | C5 | C4 | H25 | 0.0° | 0.3° |
| C8 | N9 | C5 | C4 | 179.4° | 179.9° |
| N9 | C8 | C10 | N7 | 177.9° | 179.8° |
| N9 | C8 | C10 | C22 | 140.3° | 55.2° |
| N9 | C8 | C10 | N11 | 98.5° | 175.3° |
| C8 | N9 | C5 | C6 | 0.6° | 0.3° |
| N9 | C8 | N7 | C6 | 0.9° | 0.2° |
| N9 | C8 | C10 | H1 | 22.6° | 64.8° |
| N9 | C8 | N7 | H28 | 179.1° | 179.8° |
| C5 | C4 | C3 | H25 | 180.0° | 179.7° |
| C5 | C4 | C3 | C2 | 0.0° | 0.1° |
| C4 | C5 | C6 | N7 | 179.9° | 180.0° |
| C4 | C5 | C6 | C1 | 0.0° | 0.5° |
| C5 | C4 | C3 | H24 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.3° |
| C4 | C3 | C2 | H24 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.1° | 0.0° |
| C4 | C3 | C2 | H14 | 179.9° | 179.9° |
| C23 | C22 | C10 | C8 | 158.1° | 175.0° |
| C23 | C22 | C10 | H17 | 120.6° | 119.9° |
| C23 | C22 | C10 | H18 | 120.5° | 120.0° |
| C23 | C22 | C10 | N11 | 79.9° | 65.0° |
| C23 | C22 | C10 | H1 | 40.0° | 55.0° |
| C23 | C22 | H17 | H18 | 118.3° | 120.0° |
| C22 | C23 | H19 | H20 | 119.4° | 120.0° |
| C8 | C10 | C22 | N11 | 122.0° | 120.0° |
| C8 | C10 | C22 | H1 | 118.0° | 120.0° |
| C8 | C10 | N11 | H1 | 121.0° | 120.0° |
| C8 | C10 | N11 | C12 | 69.8° | 155.0° |
| C10 | C8 | N7 | C6 | 179.1° | 180.0° |
| C8 | C10 | C22 | H17 | 37.5° | 65.0° |
| C8 | C10 | C22 | H18 | 81.4° | 55.0° |
| C8 | C10 | N11 | H26 | 110.2° | 25.0° |
| C10 | C8 | N7 | H28 | 0.9° | 0.0° |
| C22 | C10 | N11 | H1 | 119.4° | 120.0° |
| C22 | C10 | N11 | C12 | 170.6° | 85.0° |
| C22 | C10 | C8 | N7 | 37.6° | 125.0° |
| C10 | C22 | H17 | H18 | 118.3° | 120.1° |
| C10 | C22 | C23 | H19 | 179.0° | 60.0° |
| C10 | C22 | C23 | H20 | 61.4° | 59.9° |
| C22 | C10 | N11 | H26 | 9.4° | 95.0° |
| C10 | N11 | C12 | H26 | 180.0° | 179.9° |
| C10 | N11 | C12 | C13 | 172.9° | 179.9° |
| N11 | C10 | C8 | N7 | 83.5° | 4.9° |
| N11 | C10 | C22 | H17 | 159.5° | 54.9° |
| N11 | C10 | C22 | H18 | 40.6° | 175.0° |
| C5 | C6 | N7 | C8 | 0.5° | 0.0° |
| C5 | C6 | N7 | C1 | 179.9° | 179.4° |
| C5 | C6 | C1 | C2 | 0.1° | 0.5° |
| C5 | C6 | C1 | H11 | 179.9° | 179.7° |
| C6 | C5 | C4 | H25 | 180.0° | 180.0° |
| C5 | C6 | N7 | H28 | 179.5° | 180.0° |
| C29 | C19 | C18 | C16 | 72.2° | 173.1° |
| C29 | C19 | C18 | C30 | 117.0° | 119.4° |
| C29 | C19 | C18 | C20 | 121.4° | 120.3° |
| C29 | C19 | C30 | C20 | 120.3° | 119.4° |
| C29 | C19 | C20 | C21 | 79.9° | 174.7° |
| C19 | C29 | H5 | H6 | 120.0° | 119.9° |
| C19 | C29 | H5 | H7 | 120.0° | 120.1° |
| C19 | C29 | H6 | H7 | 120.0° | 120.0° |
| C29 | C19 | C30 | H8 | 180.0° | 60.0° |
| C29 | C19 | C30 | H9 | 60.0° | 180.0° |
| C29 | C19 | C30 | H10 | 60.0° | 60.0° |
| C29 | C19 | C18 | H12 | 48.4° | 53.1° |
| C29 | C19 | C18 | H13 | 167.2° | 67.0° |
| C29 | C19 | C20 | H15 | 41.3° | 55.0° |
| C29 | C19 | C20 | H16 | 158.9° | 65.5° |
| N11 | C12 | C13 | N17 | 169.5° | 0.3° |
| N11 | C12 | C13 | C14 | 11.8° | 180.0° |
| C12 | N11 | C10 | H1 | 51.2° | 35.0° |
| C12 | C13 | N17 | C14 | 178.8° | 179.8° |
| C12 | C13 | N17 | C16 | 179.8° | 179.9° |
| C12 | C13 | C14 | C15 | 179.7° | 180.0° |
| C12 | C13 | C14 | C27 | 0.9° | 0.0° |
| C13 | C12 | N11 | H26 | 7.2° | 0.0° |
| C12 | C13 | N17 | H27 | 0.2° | 0.3° |
| C8 | N7 | C6 | H28 | 180.0° | 180.0° |
| C8 | N7 | C6 | C1 | 179.4° | 179.4° |
| N7 | C8 | C10 | H1 | 155.3° | 115.0° |
| C3 | C2 | C1 | C6 | 0.1° | 0.2° |
| C3 | C2 | C1 | H14 | 180.0° | 179.9° |
| C3 | C2 | C1 | H11 | 179.9° | 180.0° |
| C2 | C3 | C4 | H25 | 180.0° | 179.7° |
| C13 | N17 | C16 | H27 | 180.0° | 179.7° |
| C13 | N17 | C16 | C18 | 179.4° | 179.9° |
| C13 | N17 | C16 | C15 | 1.4° | 0.2° |
| N17 | C13 | C14 | C15 | 0.8° | 0.2° |
| N17 | C13 | C14 | C27 | 179.7° | 179.8° |
| C16 | N17 | C13 | C14 | 1.4° | 0.3° |
| N17 | C16 | C18 | C15 | 177.7° | 179.8° |
| N17 | C16 | C18 | C19 | 147.9° | 159.3° |
| N17 | C16 | C15 | C14 | 0.9° | 0.0° |
| N17 | C16 | C15 | C21 | 179.7° | 180.0° |
| N17 | C16 | C18 | H12 | 27.3° | 80.8° |
| N17 | C16 | C18 | H13 | 91.5° | 39.4° |
| C13 | C14 | C15 | C16 | 0.0° | 0.1° |
| C13 | C14 | C15 | C27 | 179.5° | 180.0° |
| C13 | C14 | C15 | C21 | 179.4° | 179.8° |
| C13 | C14 | C27 | H2 | 90.4° | 90.0° |
| C13 | C14 | C27 | H3 | 149.6° | 150.0° |
| C13 | C14 | C27 | H4 | 29.6° | 30.0° |
| C14 | C13 | N17 | H27 | 178.6° | 179.9° |
| C16 | C18 | C19 | H12 | 120.6° | 119.9° |
| C16 | C18 | C19 | H13 | 120.6° | 120.0° |
| C16 | C18 | C19 | C30 | 170.8° | 67.5° |
| C16 | C18 | C19 | C20 | 49.2° | 52.7° |
| C18 | C16 | C15 | C14 | 178.9° | 179.8° |
| C18 | C16 | C15 | C21 | 1.6° | 0.2° |
| C16 | C18 | H12 | H13 | 118.1° | 120.2° |
| C18 | C16 | N17 | H27 | 0.7° | 0.4° |
| C15 | C16 | C18 | C19 | 29.8° | 20.4° |
| C16 | C15 | C14 | C21 | 179.4° | 180.0° |
| C16 | C15 | C14 | C27 | 179.5° | 179.9° |
| C16 | C15 | C21 | C20 | 11.5° | 11.5° |
| C16 | C15 | C21 | O28 | 165.8° | 168.5° |
| C15 | C16 | C18 | H12 | 150.5° | 99.4° |
| C15 | C16 | C18 | H13 | 90.8° | 140.4° |
| C15 | C16 | N17 | H27 | 178.6° | 179.8° |
| N7 | C6 | C1 | C2 | 180.0° | 179.8° |
| N7 | C6 | C1 | H11 | 0.0° | 0.4° |
| C6 | C1 | C2 | H11 | 180.0° | 179.8° |
| C6 | C1 | C2 | H14 | 179.9° | 179.7° |
| C1 | C6 | N7 | H28 | 0.6° | 0.6° |
| C18 | C19 | C30 | C20 | 122.7° | 121.2° |
| C18 | C19 | C20 | C21 | 40.3° | 65.0° |
| C18 | C19 | C29 | H5 | 180.0° | 60.1° |
| C18 | C19 | C29 | H6 | 60.0° | 180.0° |
| C18 | C19 | C29 | H7 | 60.0° | 60.0° |
| C18 | C19 | C30 | H8 | 63.1° | 59.4° |
| C18 | C19 | C30 | H9 | 176.9° | 60.6° |
| C18 | C19 | C30 | H10 | 56.9° | 179.4° |
| C19 | C18 | H12 | H13 | 118.1° | 120.1° |
| C18 | C19 | C20 | H15 | 161.5° | 175.3° |
| C18 | C19 | C20 | H16 | 80.8° | 54.8° |
| C30 | C19 | C20 | C21 | 161.0° | 55.3° |
| C30 | C19 | C29 | H5 | 62.8° | 59.3° |
| C30 | C19 | C29 | H6 | 177.2° | 60.6° |
| C30 | C19 | C29 | H7 | 57.2° | 179.4° |
| C19 | C30 | H8 | H9 | 120.0° | 120.0° |
| C19 | C30 | H8 | H10 | 120.0° | 119.9° |
| C19 | C30 | H9 | H10 | 120.0° | 120.0° |
| C30 | C19 | C18 | H12 | 68.6° | 172.6° |
| C30 | C19 | C18 | H13 | 50.2° | 52.5° |
| C30 | C19 | C20 | H15 | 77.8° | 64.4° |
| C30 | C19 | C20 | H16 | 39.9° | 175.0° |
| C19 | C20 | C21 | C15 | 10.3° | 42.8° |
| C19 | C20 | C21 | H15 | 121.2° | 119.7° |
| C19 | C20 | C21 | H16 | 121.2° | 119.8° |
| C19 | C20 | C21 | O28 | 172.4° | 137.2° |
| C20 | C19 | C29 | H5 | 57.5° | 178.7° |
| C20 | C19 | C29 | H6 | 62.6° | 58.8° |
| C20 | C19 | C29 | H7 | 177.5° | 61.2° |
| C20 | C19 | C30 | H8 | 59.7° | 179.4° |
| C20 | C19 | C30 | H9 | 60.3° | 60.6° |
| C20 | C19 | C30 | H10 | 179.7° | 59.4° |
| C20 | C19 | C18 | H12 | 169.8° | 67.2° |
| C20 | C19 | C18 | H13 | 71.4° | 172.7° |
| C19 | C20 | H15 | H16 | 116.4° | 120.5° |
| C14 | C15 | C21 | C20 | 169.3° | 168.5° |
| C14 | C15 | C21 | O28 | 13.4° | 11.5° |
| C15 | C14 | C27 | H2 | 90.3° | 90.0° |
| C15 | C14 | C27 | H3 | 29.7° | 30.0° |
| C15 | C14 | C27 | H4 | 149.7° | 150.1° |
| C27 | C14 | C15 | C21 | 0.1° | 0.1° |
| C14 | C27 | H2 | H3 | 120.0° | 120.0° |
| C14 | C27 | H2 | H4 | 120.0° | 120.0° |
| C14 | C27 | H3 | H4 | 120.0° | 120.0° |
| C1 | C2 | C3 | H24 | 179.9° | 180.0° |
| C15 | C21 | C20 | O28 | 177.3° | 180.0° |
| C15 | C21 | C20 | H15 | 131.5° | 162.5° |
| C15 | C21 | C20 | H16 | 110.9° | 77.0° |
| C21 | C20 | H15 | H16 | 116.3° | 120.5° |
| O28 | C21 | C20 | H15 | 51.2° | 17.5° |
| O28 | C21 | C20 | H16 | 66.4° | 103.0° |
| H1 | C10 | C22 | H17 | 80.5° | 174.9° |
| H1 | C10 | C22 | H18 | 160.5° | 65.0° |
| H1 | C10 | N11 | H26 | 128.8° | 145.0° |
| H2 | C27 | H3 | H4 | 119.9° | 120.0° |
| H5 | C29 | H6 | H7 | 120.0° | 120.0° |
| H8 | C30 | H9 | H10 | 119.9° | 120.1° |
| H11 | C1 | C2 | H14 | 0.1° | 0.1° |
| H14 | C2 | C3 | H24 | 0.1° | 0.1° |
| H17 | C22 | C23 | H19 | 58.4° | 180.0° |
| H17 | C22 | C23 | H20 | 178.0° | 60.0° |
| H18 | C22 | C23 | H19 | 60.5° | 60.1° |
| H18 | C22 | C23 | H20 | 59.1° | 180.0° |
| H21 | C25 | H22 | H23 | 120.0° | 120.0° |
| H24 | C3 | C4 | H25 | 0.0° | 0.3° |
