061
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | N2 | sing | 1.28Å | 1.32Å | Aromatic |
| N1 | C5 | doub | 1.32Å | 1.34Å | Aromatic |
| N2 | N3 | doub | 1.29Å | 1.30Å | Aromatic |
| N3 | N4 | sing | 1.41Å | 1.36Å | Aromatic |
| N4 | C5 | sing | 1.36Å | 1.38Å | Aromatic |
| N4 | HN4 | sing | 0.97Å | 1.02Å | |
| C5 | C6 | sing | 1.48Å | 1.47Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.43Å | Aromatic |
| C6 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C12 | sing | 1.48Å | 1.48Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C10 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.42Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C18 | sing | 1.51Å | 1.51Å | |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | N19 | sing | 1.47Å | 1.45Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| N19 | C20 | sing | 1.36Å | 1.35Å | Aromatic |
| N19 | C33 | sing | 1.35Å | 1.33Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.50Å | |
| C20 | N25 | doub | 1.30Å | 1.31Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.50Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C23 | C24 | sing | 1.53Å | 1.56Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C24 | H243 | sing | 1.09Å | 1.11Å | |
| N25 | C26 | sing | 1.36Å | 1.33Å | Aromatic |
| C26 | C27 | doub | 1.40Å | 1.40Å | Aromatic |
| C26 | C32 | sing | 1.41Å | 1.41Å | Aromatic |
| C27 | C28 | sing | 1.37Å | 1.40Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | doub | 1.39Å | 1.41Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C29 | O30 | sing | 1.36Å | 1.38Å | |
| C29 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| O30 | HOU | sing | 0.97Å | 0.95Å | |
| C31 | C32 | doub | 1.39Å | 1.40Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.10Å | |
| C32 | C33 | sing | 1.47Å | 1.48Å | Aromatic |
| C33 | O34 | doub | 1.22Å | 1.22Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | N1 | C5 | 109.7° | 110.5° |
| N1 | N2 | N3 | 107.5° | 110.4° |
| N1 | C5 | N4 | 107.1° | 107.0° |
| N1 | C5 | C6 | 133.2° | 126.4° |
| N2 | N3 | N4 | 111.2° | 106.8° |
| N3 | N4 | C5 | 104.4° | 105.3° |
| N3 | N4 | HN4 | 127.2° | 127.3° |
| C5 | N4 | HN4 | 128.4° | 127.4° |
| N4 | C5 | C6 | 119.6° | 126.5° |
| C5 | C6 | C7 | 119.2° | 120.3° |
| C5 | C6 | C11 | 122.1° | 120.1° |
| C7 | C6 | C11 | 118.6° | 119.6° |
| C6 | C7 | C8 | 120.9° | 119.6° |
| C6 | C7 | C12 | 117.3° | 120.2° |
| C6 | C11 | C10 | 120.5° | 119.9° |
| C6 | C11 | H11 | 118.9° | 120.0° |
| C8 | C7 | C12 | 121.8° | 120.2° |
| C7 | C8 | C9 | 119.5° | 120.0° |
| C7 | C8 | H8 | 120.2° | 120.0° |
| C7 | C12 | C13 | 121.2° | 120.1° |
| C7 | C12 | C17 | 116.2° | 120.2° |
| C9 | C8 | H8 | 120.3° | 120.0° |
| C8 | C9 | C10 | 120.8° | 120.4° |
| C8 | C9 | H9 | 119.6° | 119.8° |
| C10 | C9 | H9 | 119.7° | 119.8° |
| C9 | C10 | C11 | 119.7° | 120.4° |
| C9 | C10 | H10 | 119.5° | 119.8° |
| C11 | C10 | H10 | 120.8° | 119.8° |
| C10 | C11 | H11 | 120.6° | 120.0° |
| C13 | C12 | C17 | 122.1° | 119.7° |
| C12 | C13 | C14 | 119.6° | 119.8° |
| C12 | C13 | H13 | 119.5° | 120.1° |
| C12 | C17 | C16 | 117.1° | 119.9° |
| C12 | C17 | H17 | 121.8° | 120.1° |
| C14 | C13 | H13 | 120.9° | 120.1° |
| C13 | C14 | C15 | 118.7° | 120.2° |
| C13 | C14 | H14 | 121.3° | 119.9° |
| C15 | C14 | H14 | 120.1° | 120.0° |
| C14 | C15 | C16 | 120.8° | 120.3° |
| C14 | C15 | C18 | 125.1° | 119.9° |
| C16 | C15 | C18 | 114.1° | 119.9° |
| C15 | C16 | C17 | 121.4° | 120.1° |
| C15 | C16 | H16 | 119.3° | 119.9° |
| C15 | C18 | N19 | 123.5° | 109.4° |
| C15 | C18 | H181 | 107.2° | 109.5° |
| C15 | C18 | H182 | 107.2° | 109.5° |
| C17 | C16 | H16 | 119.3° | 120.0° |
| C16 | C17 | H17 | 121.1° | 120.1° |
| N19 | C18 | H181 | 107.3° | 109.4° |
| N19 | C18 | H182 | 107.3° | 109.5° |
| C18 | N19 | C20 | 121.1° | 119.8° |
| C18 | N19 | C33 | 118.1° | 119.7° |
| H181 | C18 | H182 | 102.4° | 109.5° |
| C20 | N19 | C33 | 120.8° | 120.6° |
| N19 | C20 | C21 | 122.5° | 118.3° |
| N19 | C20 | N25 | 121.7° | 123.4° |
| N19 | C33 | C32 | 118.9° | 117.4° |
| N19 | C33 | O34 | 121.6° | 121.3° |
| C21 | C20 | N25 | 115.8° | 118.3° |
| C20 | C21 | C22 | 120.5° | 109.4° |
| C20 | C21 | H211 | 108.2° | 109.5° |
| C20 | C21 | H212 | 108.3° | 109.5° |
| C20 | N25 | C26 | 123.2° | 121.6° |
| C22 | C21 | H211 | 108.3° | 109.5° |
| C22 | C21 | H212 | 108.3° | 109.5° |
| C21 | C22 | C23 | 113.4° | 109.4° |
| C21 | C22 | H221 | 110.8° | 109.5° |
| C21 | C22 | H222 | 110.7° | 109.5° |
| H211 | C21 | H212 | 101.7° | 109.5° |
| C23 | C22 | H221 | 110.8° | 109.5° |
| C23 | C22 | H222 | 110.8° | 109.5° |
| C22 | C23 | C24 | 110.1° | 109.5° |
| C22 | C23 | H231 | 111.9° | 109.5° |
| C22 | C23 | H232 | 112.0° | 109.5° |
| H221 | C22 | H222 | 99.5° | 109.5° |
| C24 | C23 | H231 | 112.0° | 109.5° |
| C24 | C23 | H232 | 112.0° | 109.4° |
| C23 | C24 | H241 | 110.1° | 109.5° |
| C23 | C24 | H242 | 112.0° | 109.4° |
| C23 | C24 | H243 | 111.9° | 109.5° |
| H231 | C23 | H232 | 98.4° | 109.5° |
| H241 | C24 | H242 | 112.0° | 109.4° |
| H241 | C24 | H243 | 112.1° | 109.5° |
| H242 | C24 | H243 | 98.4° | 109.4° |
| N25 | C26 | C27 | 121.5° | 121.6° |
| N25 | C26 | C32 | 119.2° | 119.0° |
| C27 | C26 | C32 | 119.3° | 119.4° |
| C26 | C27 | C28 | 119.4° | 119.8° |
| C26 | C27 | H27 | 120.4° | 120.1° |
| C26 | C32 | C31 | 121.4° | 120.0° |
| C26 | C32 | C33 | 116.2° | 118.0° |
| C28 | C27 | H27 | 120.2° | 120.1° |
| C27 | C28 | C29 | 121.0° | 120.9° |
| C27 | C28 | H28 | 119.1° | 119.5° |
| C29 | C28 | H28 | 119.9° | 119.6° |
| C28 | C29 | O30 | 118.4° | 119.8° |
| C28 | C29 | C31 | 119.7° | 120.4° |
| O30 | C29 | C31 | 121.9° | 119.8° |
| C29 | O30 | HOU | 118.3° | 106.8° |
| C29 | C31 | C32 | 119.1° | 119.3° |
| C29 | C31 | H31 | 120.5° | 120.4° |
| C32 | C31 | H31 | 120.3° | 120.3° |
| C31 | C32 | C33 | 122.3° | 121.9° |
| C32 | C33 | O34 | 119.4° | 121.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | N2 | N3 | N4 | 2.5° | 0.2° |
| N2 | N1 | C5 | N4 | 2.3° | 0.4° |
| N2 | N1 | C5 | C6 | 178.4° | 179.9° |
| C5 | N1 | N2 | N3 | 0.1° | 0.4° |
| N1 | C5 | N4 | N3 | 3.6° | 0.3° |
| N1 | C5 | N4 | C6 | 176.7° | 179.7° |
| N1 | C5 | N4 | HN4 | 176.4° | 179.8° |
| N1 | C5 | C6 | C7 | 128.5° | 39.2° |
| N1 | C5 | C6 | C11 | 55.1° | 140.3° |
| N2 | N3 | N4 | C5 | 3.8° | 0.0° |
| N2 | N3 | N4 | HN4 | 176.2° | 180.0° |
| N3 | N4 | C5 | HN4 | 180.0° | 180.0° |
| N3 | N4 | C5 | C6 | 179.7° | 180.0° |
| N4 | C5 | C6 | C7 | 47.2° | 140.5° |
| N4 | C5 | C6 | C11 | 129.2° | 40.0° |
| HN4 | N4 | C5 | C6 | 0.3° | 0.1° |
| C5 | C6 | C7 | C11 | 176.5° | 179.5° |
| C5 | C6 | C7 | C8 | 177.0° | 180.0° |
| C5 | C6 | C7 | C12 | 2.7° | 0.3° |
| C5 | C6 | C11 | C10 | 176.4° | 179.9° |
| C5 | C6 | C11 | H11 | 3.5° | 0.3° |
| C6 | C7 | C8 | C12 | 179.7° | 179.7° |
| C6 | C7 | C8 | C9 | 0.0° | 0.3° |
| C6 | C7 | C8 | H8 | 180.0° | 179.7° |
| C7 | C6 | C11 | C10 | 0.0° | 0.6° |
| C7 | C6 | C11 | H11 | 180.0° | 179.8° |
| C6 | C7 | C12 | C13 | 121.4° | 120.3° |
| C6 | C7 | C12 | C17 | 49.8° | 59.6° |
| C11 | C6 | C7 | C8 | 0.5° | 0.5° |
| C11 | C6 | C7 | C12 | 179.2° | 179.8° |
| C6 | C11 | C10 | C9 | 0.9° | 0.4° |
| C6 | C11 | C10 | H11 | 180.0° | 179.7° |
| C6 | C11 | C10 | H10 | 179.1° | 179.8° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 1.0° | 0.1° |
| C7 | C8 | C9 | H9 | 179.0° | 180.0° |
| C8 | C7 | C12 | C13 | 58.9° | 60.1° |
| C8 | C7 | C12 | C17 | 129.9° | 120.0° |
| C12 | C7 | C8 | C9 | 179.7° | 180.0° |
| C12 | C7 | C8 | H8 | 0.3° | 0.1° |
| C7 | C12 | C13 | C17 | 170.7° | 179.9° |
| C7 | C12 | C13 | C14 | 174.7° | 179.9° |
| C7 | C12 | C13 | H13 | 5.3° | 0.1° |
| C7 | C12 | C17 | C16 | 178.1° | 179.8° |
| C7 | C12 | C17 | H17 | 1.9° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 1.4° | 0.1° |
| C8 | C9 | C10 | H10 | 178.5° | 180.0° |
| H8 | C8 | C9 | C10 | 179.0° | 179.9° |
| H8 | C8 | C9 | H9 | 1.0° | 0.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | H11 | 179.1° | 180.0° |
| H9 | C9 | C10 | C11 | 178.6° | 180.0° |
| H9 | C9 | C10 | H10 | 1.5° | 0.1° |
| H10 | C10 | C11 | H11 | 0.9° | 0.1° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.0° |
| C12 | C13 | C14 | H14 | 179.8° | 180.0° |
| C13 | C12 | C17 | C16 | 6.9° | 0.3° |
| C13 | C12 | C17 | H17 | 173.0° | 180.0° |
| C17 | C12 | C13 | C14 | 4.0° | 0.0° |
| C17 | C12 | C13 | H13 | 176.0° | 180.0° |
| C12 | C17 | C16 | C15 | 6.4° | 0.6° |
| C12 | C17 | C16 | H17 | 180.0° | 179.8° |
| C12 | C17 | C16 | H16 | 173.7° | 180.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.3° | 0.3° |
| C13 | C14 | C15 | C18 | 178.5° | 179.9° |
| H13 | C13 | C14 | C15 | 179.7° | 180.0° |
| H13 | C13 | C14 | H14 | 0.3° | 0.0° |
| C14 | C15 | C16 | C18 | 178.9° | 179.7° |
| C14 | C15 | C16 | C17 | 2.9° | 0.6° |
| C14 | C15 | C16 | H16 | 177.1° | 180.0° |
| C14 | C15 | C18 | N19 | 14.6° | 94.5° |
| C14 | C15 | C18 | H181 | 110.7° | 25.4° |
| C14 | C15 | C18 | H182 | 140.0° | 145.5° |
| H14 | C14 | C15 | C16 | 179.7° | 179.7° |
| H14 | C14 | C15 | C18 | 1.6° | 0.1° |
| C15 | C16 | C17 | H16 | 180.0° | 179.5° |
| C15 | C16 | C17 | H17 | 173.6° | 179.7° |
| C16 | C15 | C18 | N19 | 166.6° | 85.9° |
| C16 | C15 | C18 | H181 | 68.1° | 154.2° |
| C16 | C15 | C18 | H182 | 41.2° | 34.2° |
| C18 | C15 | C16 | C17 | 178.2° | 179.8° |
| C18 | C15 | C16 | H16 | 1.8° | 0.3° |
| C15 | C18 | N19 | H181 | 125.3° | 119.9° |
| C15 | C18 | N19 | H182 | 125.3° | 120.1° |
| C15 | C18 | H181 | H182 | 112.7° | 120.1° |
| C15 | C18 | N19 | C20 | 76.2° | 95.6° |
| C15 | C18 | N19 | C33 | 105.6° | 84.9° |
| H16 | C16 | C17 | H17 | 6.4° | 0.2° |
| N19 | C18 | H181 | H182 | 112.8° | 120.0° |
| C18 | N19 | C20 | C33 | 178.1° | 179.5° |
| C18 | N19 | C20 | C21 | 4.3° | 0.3° |
| C18 | N19 | C20 | N25 | 177.5° | 180.0° |
| C18 | N19 | C33 | C32 | 176.5° | 180.0° |
| C18 | N19 | C33 | O34 | 0.7° | 0.2° |
| H181 | C18 | N19 | C20 | 49.0° | 24.3° |
| H181 | C18 | N19 | C33 | 129.1° | 155.2° |
| H182 | C18 | N19 | C20 | 158.4° | 144.3° |
| H182 | C18 | N19 | C33 | 19.7° | 35.2° |
| N19 | C20 | C21 | N25 | 178.3° | 179.7° |
| N19 | C20 | C21 | C22 | 41.0° | 179.1° |
| N19 | C20 | C21 | H211 | 166.2° | 60.9° |
| N19 | C20 | C21 | H212 | 84.3° | 59.1° |
| N19 | C20 | N25 | C26 | 1.3° | 0.3° |
| C20 | N19 | C33 | C32 | 1.6° | 0.5° |
| C20 | N19 | C33 | O34 | 178.8° | 179.7° |
| C33 | N19 | C20 | C21 | 177.6° | 179.7° |
| C33 | N19 | C20 | N25 | 0.6° | 0.6° |
| N19 | C33 | C32 | C26 | 1.0° | 0.3° |
| N19 | C33 | C32 | C31 | 177.1° | 179.7° |
| N19 | C33 | C32 | O34 | 177.2° | 179.7° |
| C20 | C21 | C22 | H211 | 125.2° | 120.0° |
| C20 | C21 | C22 | H212 | 125.2° | 120.0° |
| C20 | C21 | H211 | H212 | 113.9° | 120.0° |
| C20 | C21 | C22 | C23 | 161.5° | 180.0° |
| C20 | C21 | C22 | H221 | 36.2° | 60.0° |
| C20 | C21 | C22 | H222 | 73.2° | 60.0° |
| C21 | C20 | N25 | C26 | 179.6° | 180.0° |
| N25 | C20 | C21 | C22 | 140.7° | 1.2° |
| N25 | C20 | C21 | H211 | 15.5° | 118.8° |
| N25 | C20 | C21 | H212 | 94.0° | 121.2° |
| C20 | N25 | C26 | C27 | 176.0° | 180.0° |
| C20 | N25 | C26 | C32 | 1.8° | 0.0° |
| C22 | C21 | H211 | H212 | 113.9° | 120.0° |
| C21 | C22 | C23 | H221 | 125.3° | 120.0° |
| C21 | C22 | C23 | H222 | 125.3° | 120.0° |
| C21 | C22 | H221 | H222 | 116.6° | 120.0° |
| C21 | C22 | C23 | C24 | 68.1° | 180.0° |
| C21 | C22 | C23 | H231 | 57.2° | 60.0° |
| C21 | C22 | C23 | H232 | 166.7° | 60.0° |
| H211 | C21 | C22 | C23 | 73.3° | 60.0° |
| H211 | C21 | C22 | H221 | 161.4° | 180.0° |
| H211 | C21 | C22 | H222 | 52.0° | 60.0° |
| H212 | C21 | C22 | C23 | 36.2° | 60.0° |
| H212 | C21 | C22 | H221 | 89.1° | 59.9° |
| H212 | C21 | C22 | H222 | 161.5° | NaN° |
| C23 | C22 | H221 | H222 | 116.6° | 120.0° |
| C22 | C23 | C24 | H231 | 125.3° | 120.0° |
| C22 | C23 | C24 | H232 | 125.2° | 120.0° |
| C22 | C23 | H231 | H232 | 117.8° | 120.0° |
| C22 | C23 | C24 | H241 | 180.0° | 180.0° |
| C22 | C23 | C24 | H242 | 54.7° | 60.0° |
| C22 | C23 | C24 | H243 | 54.7° | 59.9° |
| H221 | C22 | C23 | C24 | 166.6° | 60.0° |
| H221 | C22 | C23 | H231 | 68.1° | NaN° |
| H221 | C22 | C23 | H232 | 41.4° | 60.0° |
| H222 | C22 | C23 | C24 | 57.2° | 60.1° |
| H222 | C22 | C23 | H231 | 177.5° | 60.0° |
| H222 | C22 | C23 | H232 | 68.0° | 180.0° |
| C24 | C23 | H231 | H232 | 117.9° | 120.0° |
| C23 | C24 | H241 | H242 | 125.2° | 119.9° |
| C23 | C24 | H241 | H243 | 125.3° | 120.1° |
| C23 | C24 | H242 | H243 | 117.8° | 120.0° |
| H231 | C23 | C24 | H241 | 54.7° | 60.0° |
| H231 | C23 | C24 | H242 | 180.0° | 60.0° |
| H231 | C23 | C24 | H243 | 70.6° | 179.9° |
| H232 | C23 | C24 | H241 | 54.7° | 60.1° |
| H232 | C23 | C24 | H242 | 70.5° | 180.0° |
| H232 | C23 | C24 | H243 | 179.9° | 60.0° |
| H241 | C24 | H242 | H243 | 118.0° | 120.0° |
| N25 | C26 | C27 | C32 | 177.8° | 180.0° |
| N25 | C26 | C27 | C28 | 179.5° | 180.0° |
| N25 | C26 | C27 | H27 | 0.6° | 0.1° |
| N25 | C26 | C32 | C31 | 178.8° | 180.0° |
| N25 | C26 | C32 | C33 | 0.7° | 0.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 2.8° | 0.1° |
| C26 | C27 | C28 | H28 | 177.2° | 180.0° |
| C27 | C26 | C32 | C31 | 0.9° | 0.0° |
| C27 | C26 | C32 | C33 | 177.2° | 179.9° |
| C32 | C26 | C27 | C28 | 2.7° | 0.0° |
| C32 | C26 | C27 | H27 | 177.3° | 179.9° |
| C26 | C32 | C31 | C29 | 0.8° | 0.1° |
| C26 | C32 | C31 | C33 | 178.0° | 180.0° |
| C26 | C32 | C31 | H31 | 179.2° | 179.9° |
| C26 | C32 | C33 | O34 | 178.3° | 180.0° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C27 | C28 | C29 | O30 | 179.0° | 180.0° |
| C27 | C28 | C29 | C31 | 1.1° | 0.1° |
| H27 | C27 | C28 | C29 | 177.1° | 180.0° |
| H27 | C27 | C28 | H28 | 2.8° | 0.1° |
| C28 | C29 | O30 | C31 | 179.9° | 179.9° |
| C28 | C29 | O30 | HOU | 180.0° | 90.0° |
| C28 | C29 | C31 | C32 | 0.7° | 0.1° |
| C28 | C29 | C31 | H31 | 179.3° | 180.0° |
| H28 | C28 | C29 | O30 | 1.0° | 0.1° |
| H28 | C28 | C29 | C31 | 178.9° | 180.0° |
| O30 | C29 | C31 | C32 | 179.2° | 180.0° |
| O30 | C29 | C31 | H31 | 0.8° | 0.1° |
| C31 | C29 | O30 | HOU | 0.1° | 89.9° |
| C29 | C31 | C32 | H31 | 180.0° | 179.9° |
| C29 | C31 | C32 | C33 | 178.8° | 179.9° |
| C31 | C32 | C33 | O34 | 0.2° | 0.0° |
| H31 | C31 | C32 | C33 | 1.2° | 0.0° |
