A1I5W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | doub | 1.22Å | 1.23Å | |
| C2 | C3 | sing | 1.48Å | 1.50Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.48Å | 1.46Å | |
| C6 | C7 | doub | 1.35Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | C9 | doub | 1.34Å | 1.36Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.50Å | |
| C9 | S11 | sing | 1.76Å | 1.73Å | Aromatic |
| C5 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | N14 | sing | 1.40Å | 1.43Å | |
| N14 | C15 | sing | 1.36Å | 1.35Å | Aromatic |
| C15 | C16 | sing | 1.48Å | 1.46Å | |
| C16 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C15 | N23 | doub | 1.32Å | 1.31Å | Aromatic |
| N23 | N24 | sing | 1.28Å | 1.36Å | Aromatic |
| N24 | N25 | doub | 1.29Å | 1.30Å | Aromatic |
| C13 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | N27 | sing | 1.35Å | 1.33Å | |
| N27 | C28 | sing | 1.47Å | 1.45Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C30 | C32 | sing | 1.53Å | 1.53Å | |
| C28 | C33 | sing | 1.51Å | 1.54Å | |
| C33 | O34 | sing | 1.34Å | 1.26Å | |
| C33 | O35 | doub | 1.21Å | 1.26Å | |
| C26 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| S11 | C6 | sing | 1.76Å | 1.73Å | Aromatic |
| N25 | N14 | sing | 1.41Å | 1.36Å | Aromatic |
| C21 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H22C | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | H10C | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31C | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C31 | H31B | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C32 | H32C | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| N27 | H27 | sing | 0.97Å | 1.00Å | |
| O34 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | C3 | 121.1° | 120.0° |
| O1 | C2 | N27 | 121.6° | 120.0° |
| C2 | C3 | C4 | 118.3° | 120.1° |
| C3 | C2 | N27 | 117.3° | 120.0° |
| C2 | C3 | C26 | 121.6° | 120.0° |
| C3 | C4 | C5 | 120.3° | 119.8° |
| C4 | C3 | C26 | 120.1° | 119.9° |
| C3 | C4 | H4 | 119.9° | 120.1° |
| C4 | C5 | C6 | 120.1° | 120.0° |
| C4 | C5 | C12 | 119.8° | 119.9° |
| C5 | C4 | H4 | 119.9° | 120.1° |
| C5 | C6 | C7 | 128.7° | 125.2° |
| C6 | C5 | C12 | 120.0° | 120.0° |
| C5 | C6 | S11 | 121.1° | 125.3° |
| C6 | C7 | C8 | 113.3° | 114.7° |
| C7 | C6 | S11 | 110.1° | 109.5° |
| C6 | C7 | H7 | 123.3° | 122.7° |
| C7 | C8 | C9 | 113.6° | 115.0° |
| C8 | C7 | H7 | 123.3° | 122.7° |
| C7 | C8 | H8 | 123.2° | 122.5° |
| C8 | C9 | C10 | 128.6° | 125.1° |
| C8 | C9 | S11 | 110.3° | 109.8° |
| C9 | C8 | H8 | 123.2° | 122.5° |
| C10 | C9 | S11 | 121.1° | 125.1° |
| C9 | C10 | H10C | 109.5° | 109.5° |
| C9 | C10 | H10A | 109.4° | 109.4° |
| C9 | C10 | H10B | 109.5° | 109.5° |
| C9 | S11 | C6 | 92.6° | 91.0° |
| C5 | C12 | C13 | 120.0° | 120.1° |
| C5 | C12 | H12 | 120.0° | 119.9° |
| C12 | C13 | N14 | 119.6° | 119.9° |
| C12 | C13 | C26 | 120.2° | 120.2° |
| C13 | C12 | H12 | 120.0° | 120.0° |
| C13 | N14 | C15 | 131.7° | 127.4° |
| N14 | C13 | C26 | 120.2° | 119.9° |
| C13 | N14 | N25 | 120.1° | 127.5° |
| N14 | C15 | C16 | 127.1° | 126.6° |
| N14 | C15 | N23 | 108.2° | 106.9° |
| C15 | N14 | N25 | 108.2° | 105.1° |
| C15 | C16 | C17 | 117.6° | 120.1° |
| C16 | C15 | N23 | 124.6° | 126.5° |
| C15 | C16 | C21 | 121.4° | 120.2° |
| C16 | C17 | C18 | 119.6° | 119.8° |
| C17 | C16 | C21 | 120.8° | 119.7° |
| C16 | C17 | H17 | 120.2° | 120.1° |
| C17 | C18 | C19 | 120.2° | 120.1° |
| C18 | C17 | H17 | 120.2° | 120.1° |
| C17 | C18 | H18 | 119.9° | 119.9° |
| C18 | C19 | C20 | 120.3° | 120.3° |
| C19 | C18 | H18 | 119.9° | 120.0° |
| C18 | C19 | H19 | 119.8° | 119.8° |
| C19 | C20 | C21 | 121.1° | 120.2° |
| C19 | C20 | H20 | 119.4° | 119.9° |
| C20 | C19 | H19 | 119.8° | 119.8° |
| C20 | C21 | C22 | 119.1° | 120.1° |
| C20 | C21 | C16 | 117.9° | 119.8° |
| C21 | C20 | H20 | 119.4° | 119.9° |
| C22 | C21 | C16 | 122.9° | 120.1° |
| C21 | C22 | H22C | 109.5° | 109.5° |
| C21 | C22 | H22A | 109.5° | 109.4° |
| C21 | C22 | H22B | 109.5° | 109.5° |
| C15 | N23 | N24 | 106.4° | 110.5° |
| N23 | N24 | N25 | 111.2° | 110.6° |
| N24 | N25 | N14 | 106.0° | 106.9° |
| C13 | C26 | C3 | 119.7° | 120.0° |
| C13 | C26 | H26 | 120.1° | 120.0° |
| C2 | N27 | C28 | 120.5° | 120.0° |
| C2 | N27 | H27 | 119.7° | 120.0° |
| N27 | C28 | C29 | 109.6° | 109.5° |
| N27 | C28 | C33 | 110.7° | 109.5° |
| N27 | C28 | H28 | 109.2° | 109.4° |
| C28 | N27 | H27 | 119.7° | 120.0° |
| C28 | C29 | C30 | 115.5° | 109.5° |
| C29 | C28 | C33 | 111.3° | 109.5° |
| C29 | C28 | H28 | 108.1° | 109.5° |
| C28 | C29 | H29A | 108.0° | 109.5° |
| C28 | C29 | H29B | 107.9° | 109.5° |
| C29 | C30 | C31 | 111.2° | 109.5° |
| C29 | C30 | C32 | 112.4° | 109.5° |
| C30 | C29 | H29A | 108.0° | 109.5° |
| C30 | C29 | H29B | 107.9° | 109.4° |
| C29 | C30 | H30 | 107.0° | 109.5° |
| C31 | C30 | C32 | 111.8° | 109.4° |
| C31 | C30 | H30 | 107.1° | 109.5° |
| C30 | C31 | H31C | 109.5° | 109.4° |
| C30 | C31 | H31A | 109.5° | 109.4° |
| C30 | C31 | H31B | 109.4° | 109.5° |
| C32 | C30 | H30 | 107.0° | 109.4° |
| C30 | C32 | H32B | 109.5° | 109.5° |
| C30 | C32 | H32C | 109.5° | 109.5° |
| C30 | C32 | H32A | 109.4° | 109.5° |
| C28 | C33 | O34 | 117.3° | 120.0° |
| C28 | C33 | O35 | 117.8° | 120.0° |
| C33 | C28 | H28 | 108.0° | 109.5° |
| O34 | C33 | O35 | 124.9° | 120.0° |
| C33 | O34 | H1 | 109.5° | 117.0° |
| C3 | C26 | H26 | 120.2° | 120.0° |
| H22C | C22 | H22A | 109.5° | 109.4° |
| H22C | C22 | H22B | 109.5° | 109.5° |
| H22A | C22 | H22B | 109.5° | 109.5° |
| H10C | C10 | H10A | 109.5° | 109.5° |
| H10C | C10 | H10B | 109.5° | 109.5° |
| H10A | C10 | H10B | 109.5° | 109.4° |
| H29A | C29 | H29B | 109.5° | 109.5° |
| H31C | C31 | H31A | 109.5° | 109.5° |
| H31C | C31 | H31B | 109.5° | 109.5° |
| H31A | C31 | H31B | 109.5° | 109.5° |
| H32B | C32 | H32C | 109.4° | 109.4° |
| H32B | C32 | H32A | 109.5° | 109.5° |
| H32C | C32 | H32A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C3 | N27 | 178.9° | 180.0° |
| O1 | C2 | C3 | C4 | 29.7° | 0.2° |
| O1 | C2 | N27 | C28 | 3.5° | 0.0° |
| O1 | C2 | C3 | C26 | 147.5° | 180.0° |
| O1 | C2 | N27 | H27 | 176.5° | 180.0° |
| C2 | C3 | C4 | C26 | 177.3° | 179.8° |
| C2 | C3 | C4 | C5 | 177.0° | 179.7° |
| C2 | C3 | C26 | C13 | 176.9° | 179.8° |
| C3 | C2 | N27 | C28 | 177.6° | 180.0° |
| C2 | C3 | C26 | H26 | 3.1° | 0.0° |
| C2 | C3 | C4 | H4 | 3.0° | 0.2° |
| C3 | C2 | N27 | H27 | 2.4° | 0.1° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 175.9° | 180.0° |
| C3 | C4 | C5 | C12 | 0.3° | 0.1° |
| C4 | C3 | C26 | C13 | 0.3° | 0.0° |
| C4 | C3 | C2 | N27 | 151.4° | 179.8° |
| C4 | C3 | C26 | H26 | 179.7° | 179.8° |
| C4 | C5 | C6 | C12 | 176.1° | 179.9° |
| C4 | C5 | C6 | C7 | 178.3° | 0.1° |
| C4 | C5 | C12 | C13 | 0.3° | 0.1° |
| C5 | C4 | C3 | C26 | 0.3° | 0.1° |
| C4 | C5 | C6 | S11 | 4.4° | 180.0° |
| C4 | C5 | C12 | H12 | 179.7° | 180.0° |
| C5 | C6 | C7 | S11 | 177.6° | 179.9° |
| C5 | C6 | C7 | C8 | 177.6° | 180.0° |
| C5 | C6 | S11 | C9 | 177.8° | 179.9° |
| C6 | C5 | C12 | C13 | 175.8° | 180.0° |
| C6 | C5 | C12 | H12 | 4.2° | 0.1° |
| C5 | C6 | C7 | H7 | 2.4° | 0.0° |
| C6 | C5 | C4 | H4 | 4.2° | 0.1° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.0° | 0.1° |
| C7 | C6 | S11 | C9 | 0.0° | 0.2° |
| C7 | C6 | C5 | C12 | 5.6° | 180.0° |
| C6 | C7 | C8 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 179.1° | 180.0° |
| C7 | C8 | C9 | S11 | 0.0° | 0.3° |
| C8 | C7 | C6 | S11 | 0.0° | 0.1° |
| C8 | C9 | C10 | S11 | 178.9° | 179.7° |
| C8 | C9 | S11 | C6 | 0.0° | 0.3° |
| C8 | C9 | C10 | H10C | 178.9° | 179.7° |
| C8 | C9 | C10 | H10A | 58.9° | 59.7° |
| C8 | C9 | C10 | H10B | 61.1° | 60.3° |
| C9 | C8 | C7 | H7 | 180.0° | 179.9° |
| C10 | C9 | S11 | C6 | 179.1° | 180.0° |
| C9 | C10 | H10C | H10A | 120.0° | 120.0° |
| C9 | C10 | H10C | H10B | 120.0° | 120.0° |
| C9 | C10 | H10A | H10B | 120.0° | 120.0° |
| C10 | C9 | C8 | H8 | 1.0° | 0.1° |
| S11 | C9 | C10 | H10C | 0.0° | 0.0° |
| S11 | C9 | C10 | H10A | 120.0° | 120.0° |
| S11 | C9 | C10 | H10B | 120.0° | 120.0° |
| S11 | C9 | C8 | H8 | 180.0° | 179.8° |
| C5 | C12 | C13 | H12 | 180.0° | 179.9° |
| C5 | C12 | C13 | N14 | 178.4° | 180.0° |
| C5 | C12 | C13 | C26 | 0.3° | 0.0° |
| C12 | C5 | C6 | S11 | 171.8° | 0.1° |
| C12 | C5 | C4 | H4 | 179.7° | 180.0° |
| C12 | C13 | N14 | C26 | 178.8° | 180.0° |
| C12 | C13 | N14 | C15 | 43.1° | 42.4° |
| C12 | C13 | C26 | C3 | 0.3° | 0.1° |
| C12 | C13 | N14 | N25 | 137.5° | 137.5° |
| C12 | C13 | C26 | H26 | 179.7° | 179.7° |
| C13 | N14 | C15 | N25 | 179.4° | 180.0° |
| C13 | N14 | C15 | C16 | 0.4° | 0.0° |
| C13 | N14 | C15 | N23 | 179.4° | 179.7° |
| C13 | N14 | N25 | N24 | 179.5° | 179.8° |
| N14 | C13 | C26 | C3 | 178.4° | 180.0° |
| N14 | C13 | C26 | H26 | 1.6° | 0.2° |
| N14 | C13 | C12 | H12 | 1.6° | 0.0° |
| N14 | C15 | C16 | N23 | 178.9° | 179.7° |
| N14 | C15 | C16 | C17 | 115.3° | 48.9° |
| N14 | C15 | N23 | N24 | 0.0° | 0.2° |
| C15 | N14 | N25 | N24 | 0.0° | 0.2° |
| C15 | N14 | C13 | C26 | 138.1° | 137.6° |
| N14 | C15 | C16 | C21 | 59.8° | 131.0° |
| C15 | C16 | C17 | C21 | 175.2° | 179.9° |
| C15 | C16 | C17 | C18 | 174.7° | 180.0° |
| C15 | C16 | C21 | C20 | 174.4° | 180.0° |
| C15 | C16 | C21 | C22 | 8.2° | 0.1° |
| C16 | C15 | N23 | N24 | 179.1° | 180.0° |
| C16 | C15 | N14 | N25 | 179.0° | 180.0° |
| C15 | C16 | C17 | H17 | 5.3° | 0.1° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.2° | 0.2° |
| C17 | C16 | C21 | C20 | 0.6° | 0.1° |
| C17 | C16 | C21 | C22 | 176.8° | 180.0° |
| C17 | C16 | C15 | N23 | 65.8° | 131.4° |
| C16 | C17 | C18 | H18 | 179.9° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.8° |
| C17 | C18 | C19 | C20 | 0.1° | 0.5° |
| C18 | C17 | C16 | C21 | 0.5° | 0.1° |
| C17 | C18 | C19 | H19 | 179.9° | 180.0° |
| C18 | C19 | C20 | H19 | 180.0° | 179.5° |
| C18 | C19 | C20 | C21 | 0.0° | 0.4° |
| C18 | C19 | C20 | H20 | 180.0° | 179.8° |
| C19 | C18 | C17 | H17 | 179.9° | 179.7° |
| C19 | C20 | C21 | H20 | 180.0° | 179.8° |
| C19 | C20 | C21 | C22 | 177.1° | 179.8° |
| C19 | C20 | C21 | C16 | 0.3° | 0.2° |
| C20 | C19 | C18 | H18 | 179.9° | 179.8° |
| C20 | C21 | C22 | C16 | 177.3° | 179.9° |
| C20 | C21 | C22 | H22C | 91.2° | 90.0° |
| C20 | C21 | C22 | H22A | 148.8° | 150.0° |
| C20 | C21 | C22 | H22B | 28.8° | 30.0° |
| C21 | C20 | C19 | H19 | 179.9° | 180.0° |
| C22 | C21 | C20 | H20 | 2.9° | 0.0° |
| C21 | C22 | H22C | H22A | 120.0° | 120.0° |
| C21 | C22 | H22C | H22B | 120.0° | 120.0° |
| C21 | C22 | H22A | H22B | 120.0° | 120.0° |
| C15 | N23 | N24 | N25 | 0.0° | 0.1° |
| N23 | C15 | N14 | N25 | 0.0° | 0.2° |
| N23 | C15 | C16 | C21 | 119.0° | 48.7° |
| N23 | N24 | N25 | N14 | 0.0° | 0.0° |
| C13 | C26 | C3 | H26 | 180.0° | 179.8° |
| C26 | C13 | N14 | N25 | 41.3° | 42.4° |
| C26 | C13 | C12 | H12 | 179.7° | 179.9° |
| C2 | N27 | C28 | H27 | 180.0° | 179.9° |
| C2 | N27 | C28 | C29 | 172.3° | 155.0° |
| C2 | N27 | C28 | C33 | 64.6° | 85.0° |
| N27 | C2 | C3 | C26 | 31.3° | 0.0° |
| C2 | N27 | C28 | H28 | 54.1° | 35.0° |
| N27 | C28 | C29 | C33 | 122.7° | 120.0° |
| N27 | C28 | C29 | H28 | 118.9° | 119.9° |
| N27 | C28 | C29 | C30 | 178.6° | 65.1° |
| N27 | C28 | C33 | H28 | 119.4° | 119.9° |
| N27 | C28 | C33 | O34 | 129.4° | 180.0° |
| N27 | C28 | C33 | O35 | 50.5° | 0.0° |
| N27 | C28 | C29 | H29A | 57.8° | 55.0° |
| N27 | C28 | C29 | H29B | 60.5° | 175.0° |
| C28 | C29 | C30 | H29A | 120.9° | 120.1° |
| C28 | C29 | C30 | H29B | 120.9° | 120.0° |
| C28 | C29 | C30 | C31 | 179.0° | 174.9° |
| C28 | C29 | C30 | C32 | 54.8° | 65.1° |
| C29 | C28 | C33 | H28 | 118.5° | 120.1° |
| C29 | C28 | C33 | O34 | 108.5° | 60.0° |
| C29 | C28 | C33 | O35 | 71.6° | 120.0° |
| C28 | C29 | H29A | H29B | 117.3° | 120.0° |
| C28 | C29 | C30 | H30 | 62.4° | 54.8° |
| C29 | C28 | N27 | H27 | 7.7° | 25.1° |
| C29 | C30 | C31 | C32 | 126.5° | 120.0° |
| C29 | C30 | C31 | H30 | 116.6° | 120.1° |
| C29 | C30 | C32 | H30 | 117.2° | 120.0° |
| C30 | C29 | C28 | C33 | 58.6° | 174.9° |
| C30 | C29 | C28 | H28 | 59.8° | 54.9° |
| C30 | C29 | H29A | H29B | 117.3° | 119.9° |
| C29 | C30 | C31 | H31C | 180.0° | 55.2° |
| C29 | C30 | C31 | H31A | 60.0° | 64.8° |
| C29 | C30 | C31 | H31B | 60.0° | 175.2° |
| C29 | C30 | C32 | H32B | 180.0° | 60.0° |
| C29 | C30 | C32 | H32C | 60.0° | 179.9° |
| C29 | C30 | C32 | H32A | 60.0° | 60.0° |
| C31 | C30 | C32 | H30 | 117.0° | 120.0° |
| C31 | C30 | C29 | H29A | 60.1° | 54.9° |
| C31 | C30 | C29 | H29B | 58.2° | 65.1° |
| C30 | C31 | H31C | H31A | 120.0° | 119.9° |
| C30 | C31 | H31C | H31B | 120.0° | 120.0° |
| C30 | C31 | H31A | H31B | 120.0° | 120.0° |
| C31 | C30 | C32 | H32B | 54.2° | 180.0° |
| C31 | C30 | C32 | H32C | 174.2° | 60.0° |
| C31 | C30 | C32 | H32A | 65.8° | 60.0° |
| C32 | C30 | C29 | H29A | 66.1° | 174.9° |
| C32 | C30 | C29 | H29B | 175.7° | 54.9° |
| C32 | C30 | C31 | H31C | 53.5° | 175.2° |
| C32 | C30 | C31 | H31A | 66.5° | 55.2° |
| C32 | C30 | C31 | H31B | 173.5° | 64.8° |
| C30 | C32 | H32B | H32C | 120.0° | 120.0° |
| C30 | C32 | H32B | H32A | 120.0° | 120.0° |
| C30 | C32 | H32C | H32A | 120.0° | 120.0° |
| C28 | C33 | O34 | O35 | 179.9° | 180.0° |
| C33 | C28 | C29 | H29A | 179.5° | 65.0° |
| C33 | C28 | C29 | H29B | 62.2° | 55.0° |
| C33 | C28 | N27 | H27 | 115.4° | 95.0° |
| C28 | C33 | O34 | H1 | 179.8° | 180.0° |
| O34 | C33 | C28 | H28 | 10.0° | 60.0° |
| O35 | C33 | C28 | H28 | 169.9° | 120.0° |
| O35 | C33 | O34 | H1 | 0.0° | 0.0° |
| C26 | C3 | C4 | H4 | 179.7° | 180.0° |
| S11 | C6 | C7 | H7 | 180.0° | 179.9° |
| C16 | C21 | C20 | H20 | 179.7° | 180.0° |
| C16 | C21 | C22 | H22C | 91.5° | 89.9° |
| C16 | C21 | C22 | H22A | 28.5° | 30.0° |
| C16 | C21 | C22 | H22B | 148.5° | 150.0° |
| C21 | C16 | C17 | H17 | 179.5° | 180.0° |
| H28 | C28 | C29 | H29A | 61.1° | 174.9° |
| H28 | C28 | C29 | H29B | 179.4° | 65.1° |
| H28 | C28 | N27 | H27 | 125.9° | 145.1° |
| H20 | C20 | C19 | H19 | 0.1° | 0.2° |
| H22C | C22 | H22A | H22B | 120.0° | 120.0° |
| H10C | C10 | H10A | H10B | 120.0° | 120.0° |
| H17 | C17 | C18 | H18 | 0.1° | 0.0° |
| H18 | C18 | C19 | H19 | 0.2° | 0.2° |
| H7 | C7 | C8 | H8 | 0.0° | 0.0° |
| H29A | C29 | C30 | H30 | 176.7° | 65.2° |
| H29B | C29 | C30 | H30 | 58.5° | 174.9° |
| H30 | C30 | C31 | H31C | 63.4° | 64.9° |
| H30 | C30 | C31 | H31A | 176.6° | 175.1° |
| H30 | C30 | C31 | H31B | 56.6° | 55.1° |
| H30 | C30 | C32 | H32B | 62.8° | 60.0° |
| H30 | C30 | C32 | H32C | 57.2° | 59.9° |
| H30 | C30 | C32 | H32A | 177.2° | 180.0° |
| H31C | C31 | H31A | H31B | 120.0° | 120.1° |
| H32B | C32 | H32C | H32A | 120.0° | 120.0° |
