P79
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.40Å | 1.46Å | Aromatic |
| C1 | C6 | doub | 1.36Å | 1.45Å | Aromatic |
| C2 | N4 | doub | 1.31Å | 1.41Å | Aromatic |
| C2 | C5 | sing | 1.51Å | 1.46Å | |
| N3 | N4 | sing | 1.40Å | 1.45Å | Aromatic |
| N3 | C6 | sing | 1.35Å | 1.41Å | Aromatic |
| N3 | C7 | sing | 1.47Å | 1.47Å | |
| C5 | C21 | sing | 1.53Å | 1.52Å | |
| C5 | C22 | sing | 1.53Å | 1.50Å | |
| C5 | C23 | sing | 1.53Å | 1.51Å | |
| C6 | N20 | sing | 1.39Å | 1.42Å | |
| C7 | C8 | sing | 1.51Å | 1.50Å | |
| C8 | N9 | sing | 1.35Å | 1.33Å | |
| C8 | O10 | doub | 1.21Å | 1.23Å | |
| N9 | C28 | sing | 1.46Å | 1.48Å | |
| N9 | C32 | sing | 1.46Å | 1.47Å | |
| C11 | N12 | sing | 1.35Å | 1.33Å | |
| C11 | O13 | doub | 1.22Å | 1.24Å | |
| C11 | N20 | sing | 1.35Å | 1.33Å | |
| N12 | C14 | sing | 1.40Å | 1.41Å | |
| C14 | C15 | doub | 1.40Å | 1.45Å | Aromatic |
| C14 | C19 | sing | 1.38Å | 1.45Å | Aromatic |
| C15 | C16 | sing | 1.36Å | 1.46Å | Aromatic |
| C16 | C17 | doub | 1.41Å | 1.46Å | Aromatic |
| C17 | C18 | sing | 1.42Å | 1.46Å | Aromatic |
| C17 | C24 | sing | 1.40Å | 1.46Å | Aromatic |
| C18 | C19 | doub | 1.40Å | 1.45Å | Aromatic |
| C18 | C27 | sing | 1.41Å | 1.45Å | Aromatic |
| C24 | C25 | doub | 1.36Å | 1.46Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.45Å | Aromatic |
| C26 | C27 | doub | 1.36Å | 1.46Å | Aromatic |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | S30 | sing | 1.82Å | 1.80Å | |
| S30 | C31 | sing | 1.82Å | 1.80Å | |
| S30 | O33 | doub | 1.42Å | 1.72Å | |
| S30 | O34 | doub | 1.42Å | 1.74Å | |
| C31 | C32 | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| N12 | HN12 | sing | 0.97Å | 1.00Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| N20 | HN20 | sing | 0.97Å | 1.00Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 103.4° | 107.8° |
| C1 | C2 | N4 | 113.3° | 108.4° |
| C1 | C2 | C5 | 129.2° | 125.8° |
| C2 | C1 | H1 | 128.3° | 126.1° |
| C1 | C6 | N3 | 108.9° | 107.5° |
| C1 | C6 | N20 | 132.5° | 126.3° |
| C6 | C1 | H1 | 128.3° | 126.0° |
| N4 | C2 | C5 | 116.7° | 125.8° |
| C2 | N4 | N3 | 103.6° | 108.3° |
| C2 | C5 | C21 | 108.6° | 109.4° |
| C2 | C5 | C22 | 111.5° | 109.5° |
| C2 | C5 | C23 | 108.8° | 109.5° |
| N4 | N3 | C6 | 110.7° | 107.9° |
| N4 | N3 | C7 | 124.3° | 126.0° |
| C6 | N3 | C7 | 124.9° | 126.0° |
| N3 | C6 | N20 | 118.6° | 126.2° |
| N3 | C7 | C8 | 111.8° | 109.4° |
| N3 | C7 | H7 | 108.7° | 109.5° |
| N3 | C7 | H7A | 108.7° | 109.5° |
| C21 | C5 | C22 | 110.5° | 109.5° |
| C21 | C5 | C23 | 107.6° | 109.5° |
| C5 | C21 | H21 | 109.5° | 109.5° |
| C5 | C21 | H21A | 109.4° | 109.5° |
| C5 | C21 | H21B | 109.5° | 109.5° |
| C22 | C5 | C23 | 109.8° | 109.5° |
| C5 | C22 | H22 | 109.5° | 109.5° |
| C5 | C22 | H22A | 109.4° | 109.4° |
| C5 | C22 | H22B | 109.4° | 109.5° |
| C5 | C23 | H23 | 109.5° | 109.5° |
| C5 | C23 | H23A | 109.5° | 109.4° |
| C5 | C23 | H23B | 109.5° | 109.5° |
| C6 | N20 | C11 | 121.9° | 120.0° |
| C6 | N20 | HN20 | 119.0° | 120.1° |
| C7 | C8 | N9 | 118.0° | 120.0° |
| C7 | C8 | O10 | 121.4° | 120.0° |
| C8 | C7 | H7 | 108.7° | 109.5° |
| C8 | C7 | H7A | 108.7° | 109.4° |
| N9 | C8 | O10 | 120.6° | 120.0° |
| C8 | N9 | C28 | 121.5° | 119.7° |
| C8 | N9 | C32 | 120.6° | 119.7° |
| C28 | N9 | C32 | 117.9° | 120.6° |
| N9 | C28 | C29 | 111.5° | 109.5° |
| N9 | C28 | H28 | 108.8° | 109.4° |
| N9 | C28 | H28A | 108.8° | 109.4° |
| N9 | C32 | C31 | 110.7° | 109.8° |
| N9 | C32 | H32 | 109.1° | 109.5° |
| N9 | C32 | H32A | 109.1° | 109.4° |
| N12 | C11 | O13 | 120.6° | 120.0° |
| N12 | C11 | N20 | 118.4° | 120.0° |
| C11 | N12 | C14 | 123.1° | 120.0° |
| C11 | N12 | HN12 | 118.5° | 120.0° |
| O13 | C11 | N20 | 120.9° | 120.0° |
| C11 | N20 | HN20 | 119.1° | 119.9° |
| N12 | C14 | C15 | 122.7° | 119.6° |
| N12 | C14 | C19 | 113.7° | 119.7° |
| C14 | N12 | HN12 | 118.4° | 120.0° |
| C15 | C14 | C19 | 123.5° | 120.7° |
| C14 | C15 | C16 | 119.2° | 120.9° |
| C14 | C15 | H15 | 120.4° | 119.6° |
| C14 | C19 | C18 | 116.7° | 119.5° |
| C14 | C19 | H19 | 121.6° | 120.3° |
| C15 | C16 | C17 | 118.1° | 119.9° |
| C16 | C15 | H15 | 120.4° | 119.5° |
| C15 | C16 | H16 | 121.0° | 120.1° |
| C16 | C17 | C18 | 121.7° | 119.5° |
| C16 | C17 | C24 | 117.9° | 121.2° |
| C17 | C16 | H16 | 121.0° | 120.0° |
| C18 | C17 | C24 | 120.3° | 119.3° |
| C17 | C18 | C19 | 120.8° | 119.4° |
| C17 | C18 | C27 | 122.1° | 119.4° |
| C17 | C24 | C25 | 117.7° | 119.7° |
| C17 | C24 | H24 | 121.2° | 120.2° |
| C19 | C18 | C27 | 117.1° | 121.2° |
| C18 | C19 | H19 | 121.7° | 120.2° |
| C18 | C27 | C26 | 117.7° | 119.6° |
| C18 | C27 | H27 | 121.2° | 120.2° |
| C24 | C25 | C26 | 121.9° | 121.0° |
| C25 | C24 | H24 | 121.2° | 120.1° |
| C24 | C25 | H25 | 119.0° | 119.5° |
| C25 | C26 | C27 | 120.3° | 121.0° |
| C26 | C25 | H25 | 119.0° | 119.5° |
| C25 | C26 | H26 | 119.8° | 119.5° |
| C27 | C26 | H26 | 119.8° | 119.5° |
| C26 | C27 | H27 | 121.2° | 120.2° |
| C28 | C29 | S30 | 111.2° | 108.9° |
| C29 | C28 | H28 | 108.8° | 109.5° |
| C29 | C28 | H28A | 108.8° | 109.5° |
| C28 | C29 | H29 | 108.9° | 109.5° |
| C28 | C29 | H29A | 108.9° | 109.6° |
| C29 | S30 | C31 | 104.4° | 101.4° |
| C29 | S30 | O33 | 109.6° | 108.6° |
| C29 | S30 | O34 | 107.6° | 108.7° |
| S30 | C29 | H29 | 108.9° | 109.5° |
| S30 | C29 | H29A | 108.9° | 109.6° |
| C31 | S30 | O33 | 104.6° | 108.6° |
| C31 | S30 | O34 | 110.8° | 108.7° |
| S30 | C31 | C32 | 109.3° | 109.0° |
| S30 | C31 | H31 | 109.5° | 109.5° |
| S30 | C31 | H31A | 109.5° | 109.6° |
| O33 | S30 | O34 | 118.8° | 119.4° |
| C32 | C31 | H31 | 109.5° | 109.6° |
| C32 | C31 | H31A | 109.5° | 109.4° |
| C31 | C32 | H32 | 109.0° | 109.4° |
| C31 | C32 | H32A | 109.1° | 109.3° |
| H7 | C7 | H7A | 110.2° | 109.5° |
| H21 | C21 | H21A | 109.5° | 109.4° |
| H21 | C21 | H21B | 109.5° | 109.4° |
| H21A | C21 | H21B | 109.5° | 109.5° |
| H22 | C22 | H22A | 109.5° | 109.4° |
| H22 | C22 | H22B | 109.5° | 109.5° |
| H22A | C22 | H22B | 109.5° | 109.5° |
| H23 | C23 | H23A | 109.4° | 109.5° |
| H23 | C23 | H23B | 109.4° | 109.5° |
| H23A | C23 | H23B | 109.5° | 109.4° |
| H28 | C28 | H28A | 110.1° | 109.5° |
| H29 | C29 | H29A | 110.1° | 109.7° |
| H31 | C31 | H31A | 109.4° | 109.7° |
| H32 | C32 | H32A | 109.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C1 | C2 | N4 | C5 | 170.7° | 179.9° |
| C1 | C2 | N4 | N3 | 1.4° | 0.0° |
| C2 | C1 | C6 | N3 | 0.1° | 0.0° |
| C1 | C2 | C5 | C21 | 171.3° | 75.0° |
| C1 | C2 | C5 | C22 | 66.7° | 165.0° |
| C1 | C2 | C5 | C23 | 54.5° | 45.0° |
| C2 | C1 | C6 | N20 | 179.1° | 180.0° |
| C6 | C1 | C2 | N4 | 1.0° | 0.0° |
| C6 | C1 | C2 | C5 | 168.3° | 179.9° |
| C1 | C6 | N3 | N4 | 0.7° | 0.0° |
| C1 | C6 | N3 | N20 | 179.1° | 180.0° |
| C1 | C6 | N3 | C7 | 176.6° | 180.0° |
| C1 | C6 | N20 | C11 | 25.6° | 0.0° |
| C1 | C6 | N20 | HN20 | 154.4° | 180.0° |
| C2 | N4 | N3 | C6 | 1.3° | 0.0° |
| C2 | N4 | N3 | C7 | 176.1° | 180.0° |
| N4 | C2 | C5 | C21 | 2.3° | 105.1° |
| N4 | C2 | C5 | C22 | 124.3° | 14.9° |
| N4 | C2 | C5 | C23 | 114.5° | 135.0° |
| N4 | C2 | C1 | H1 | 179.0° | 179.8° |
| C5 | C2 | N4 | N3 | 169.4° | 180.0° |
| C2 | C5 | C21 | C22 | 122.6° | 120.0° |
| C2 | C5 | C21 | C23 | 117.6° | 120.0° |
| C2 | C5 | C22 | C23 | 120.6° | 120.0° |
| C5 | C2 | C1 | H1 | 11.7° | 0.3° |
| C2 | C5 | C21 | H21 | 180.0° | 60.0° |
| C2 | C5 | C21 | H21A | 60.0° | 180.0° |
| C2 | C5 | C21 | H21B | 60.0° | 60.0° |
| C2 | C5 | C22 | H22 | 180.0° | 60.1° |
| C2 | C5 | C22 | H22A | 60.0° | 180.0° |
| C2 | C5 | C22 | H22B | 60.0° | 60.0° |
| C2 | C5 | C23 | H23 | 180.0° | 60.0° |
| C2 | C5 | C23 | H23A | 60.0° | 180.0° |
| C2 | C5 | C23 | H23B | 60.0° | 60.1° |
| N4 | N3 | C6 | C7 | 177.4° | 179.9° |
| N4 | N3 | C6 | N20 | 178.4° | 180.0° |
| N4 | N3 | C7 | C8 | 105.5° | 90.1° |
| N4 | N3 | C7 | H7 | 134.5° | 149.9° |
| N4 | N3 | C7 | H7A | 14.5° | 29.9° |
| C6 | N3 | C7 | C8 | 77.4° | 90.0° |
| N3 | C6 | N20 | C11 | 155.5° | 180.0° |
| N3 | C6 | C1 | H1 | 179.8° | 179.7° |
| C6 | N3 | C7 | H7 | 42.5° | 30.0° |
| C6 | N3 | C7 | H7A | 162.5° | 150.0° |
| N3 | C6 | N20 | HN20 | 24.5° | 0.0° |
| C7 | N3 | C6 | N20 | 4.2° | 0.1° |
| N3 | C7 | C8 | H7 | 120.0° | 120.0° |
| N3 | C7 | C8 | H7A | 120.0° | 120.0° |
| N3 | C7 | C8 | N9 | 146.0° | 179.9° |
| N3 | C7 | C8 | O10 | 32.5° | 0.0° |
| N3 | C7 | H7 | H7A | 119.0° | 120.0° |
| C21 | C5 | C22 | C23 | 118.5° | 120.0° |
| C5 | C21 | H21 | H21A | 120.0° | 120.0° |
| C5 | C21 | H21 | H21B | 120.0° | 120.0° |
| C5 | C21 | H21A | H21B | 120.0° | 120.1° |
| C21 | C5 | C22 | H22 | 59.1° | 180.0° |
| C21 | C5 | C22 | H22A | 179.2° | 60.0° |
| C21 | C5 | C22 | H22B | 60.9° | 60.0° |
| C21 | C5 | C23 | H23 | 62.5° | 60.0° |
| C21 | C5 | C23 | H23A | 57.5° | 60.1° |
| C21 | C5 | C23 | H23B | 177.5° | 180.0° |
| C22 | C5 | C21 | H21 | 57.5° | 60.0° |
| C22 | C5 | C21 | H21A | 62.5° | 60.0° |
| C22 | C5 | C21 | H21B | 177.5° | 179.9° |
| C5 | C22 | H22 | H22A | 120.0° | 119.9° |
| C5 | C22 | H22 | H22B | 120.0° | 120.1° |
| C5 | C22 | H22A | H22B | 119.9° | 120.0° |
| C22 | C5 | C23 | H23 | 57.8° | 180.0° |
| C22 | C5 | C23 | H23A | 177.7° | 60.0° |
| C22 | C5 | C23 | H23B | 62.2° | 59.9° |
| C23 | C5 | C21 | H21 | 62.4° | 180.0° |
| C23 | C5 | C21 | H21A | 177.6° | 60.1° |
| C23 | C5 | C21 | H21B | 57.6° | 60.0° |
| C23 | C5 | C22 | H22 | 59.4° | 59.9° |
| C23 | C5 | C22 | H22A | 60.6° | 60.0° |
| C23 | C5 | C22 | H22B | 179.4° | 180.0° |
| C5 | C23 | H23 | H23A | 120.0° | 120.0° |
| C5 | C23 | H23 | H23B | 120.0° | 120.0° |
| C5 | C23 | H23A | H23B | 120.0° | 120.0° |
| C6 | N20 | C11 | N12 | 161.9° | 180.0° |
| C6 | N20 | C11 | O13 | 19.9° | 0.0° |
| C6 | N20 | C11 | HN20 | 180.0° | 180.0° |
| N20 | C6 | C1 | H1 | 0.9° | 0.2° |
| C7 | C8 | N9 | O10 | 178.4° | 179.9° |
| C7 | C8 | N9 | C28 | 9.8° | 180.0° |
| C7 | C8 | N9 | C32 | 171.3° | 0.3° |
| C8 | C7 | H7 | H7A | 119.1° | 120.0° |
| C8 | N9 | C28 | C32 | 178.9° | 179.6° |
| C8 | N9 | C28 | C29 | 116.1° | 115.6° |
| C8 | N9 | C32 | C31 | 111.7° | 115.6° |
| N9 | C8 | C7 | H7 | 94.1° | 60.1° |
| N9 | C8 | C7 | H7A | 26.0° | 60.0° |
| C8 | N9 | C28 | H28 | 4.0° | 124.3° |
| C8 | N9 | C28 | H28A | 123.9° | 4.4° |
| C8 | N9 | C32 | H32 | 128.3° | 4.4° |
| C8 | N9 | C32 | H32A | 8.3° | 124.4° |
| O10 | C8 | N9 | C28 | 171.7° | 0.1° |
| O10 | C8 | N9 | C32 | 7.1° | 179.8° |
| O10 | C8 | C7 | H7 | 87.5° | 120.0° |
| O10 | C8 | C7 | H7A | 152.5° | 119.9° |
| N9 | C28 | C29 | H28 | 120.0° | 120.0° |
| N9 | C28 | C29 | H28A | 120.0° | 120.0° |
| N9 | C28 | C29 | S30 | 52.1° | 58.3° |
| C28 | N9 | C32 | C31 | 67.2° | 64.0° |
| N9 | C28 | H28 | H28A | 119.1° | 119.9° |
| N9 | C28 | C29 | H29 | 67.9° | 178.1° |
| N9 | C28 | C29 | H29A | 172.0° | 61.6° |
| C28 | N9 | C32 | H32 | 52.8° | 176.0° |
| C28 | N9 | C32 | H32A | 172.8° | 56.0° |
| C32 | N9 | C28 | C29 | 62.8° | 64.0° |
| N9 | C32 | C31 | S30 | 59.0° | 58.1° |
| N9 | C32 | C31 | H32 | 120.0° | 120.1° |
| N9 | C32 | C31 | H32A | 120.0° | 120.0° |
| C32 | N9 | C28 | H28 | 177.1° | 56.0° |
| C32 | N9 | C28 | H28A | 57.2° | 176.0° |
| N9 | C32 | C31 | H31 | 61.0° | 178.0° |
| N9 | C32 | C31 | H31A | 179.0° | 61.8° |
| N9 | C32 | H32 | H32A | 119.5° | 120.0° |
| N12 | C11 | O13 | N20 | 178.2° | 180.0° |
| C11 | N12 | C14 | HN12 | 180.0° | 179.9° |
| C11 | N12 | C14 | C15 | 54.5° | 146.4° |
| C11 | N12 | C14 | C19 | 129.6° | 33.9° |
| N12 | C11 | N20 | HN20 | 18.1° | 0.0° |
| O13 | C11 | N12 | C14 | 6.8° | 5.4° |
| O13 | C11 | N12 | HN12 | 173.2° | 174.7° |
| O13 | C11 | N20 | HN20 | 160.1° | 180.0° |
| N20 | C11 | N12 | C14 | 171.4° | 174.7° |
| N20 | C11 | N12 | HN12 | 8.6° | 5.3° |
| N12 | C14 | C15 | C19 | 175.5° | 179.7° |
| N12 | C14 | C15 | C16 | 175.0° | 180.0° |
| N12 | C14 | C19 | C18 | 176.0° | 179.8° |
| N12 | C14 | C15 | H15 | 5.0° | 0.0° |
| N12 | C14 | C19 | H19 | 4.0° | 0.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.8° | 0.0° |
| C15 | C14 | C19 | C18 | 0.1° | 0.5° |
| C15 | C14 | N12 | HN12 | 125.5° | 33.7° |
| C14 | C15 | C16 | H16 | 179.3° | 180.0° |
| C15 | C14 | C19 | H19 | 179.9° | 179.7° |
| C19 | C14 | C15 | C16 | 0.5° | 0.2° |
| C14 | C19 | C18 | C17 | 0.5° | 0.4° |
| C14 | C19 | C18 | H19 | 180.0° | 179.8° |
| C14 | C19 | C18 | C27 | 177.0° | 179.7° |
| C19 | C14 | N12 | HN12 | 50.4° | 146.1° |
| C19 | C14 | C15 | H15 | 179.5° | 179.7° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.4° | 0.1° |
| C15 | C16 | C17 | C24 | 176.5° | 180.0° |
| C16 | C17 | C18 | C24 | 176.9° | 179.9° |
| C16 | C17 | C18 | C19 | 0.2° | 0.1° |
| C16 | C17 | C18 | C27 | 177.1° | 180.0° |
| C16 | C17 | C24 | C25 | 176.9° | 180.0° |
| C17 | C16 | C15 | H15 | 179.2° | 180.0° |
| C16 | C17 | C24 | H24 | 3.1° | 0.0° |
| C17 | C18 | C19 | C27 | 177.5° | 179.9° |
| C18 | C17 | C24 | C25 | 0.1° | 0.1° |
| C17 | C18 | C27 | C26 | 0.5° | 0.1° |
| C18 | C17 | C16 | H16 | 179.6° | 180.0° |
| C17 | C18 | C19 | H19 | 179.5° | 179.8° |
| C18 | C17 | C24 | H24 | 179.9° | 180.0° |
| C17 | C18 | C27 | H27 | 179.5° | 180.0° |
| C24 | C17 | C18 | C19 | 177.1° | 179.8° |
| C24 | C17 | C18 | C27 | 0.3° | 0.1° |
| C17 | C24 | C25 | H24 | 180.0° | 180.0° |
| C17 | C24 | C25 | C26 | 0.1° | 0.0° |
| C24 | C17 | C16 | H16 | 3.4° | 0.0° |
| C17 | C24 | C25 | H25 | 179.8° | 180.0° |
| C19 | C18 | C27 | C26 | 177.0° | 179.8° |
| C19 | C18 | C27 | H27 | 3.0° | 0.1° |
| C18 | C27 | C26 | C25 | 0.4° | 0.0° |
| C18 | C27 | C26 | H27 | 180.0° | 179.9° |
| C27 | C18 | C19 | H19 | 3.0° | 0.1° |
| C18 | C27 | C26 | H26 | 179.6° | 180.0° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.1° | 0.0° |
| C24 | C25 | C26 | H26 | 179.9° | 180.0° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| C26 | C25 | C24 | H24 | 179.8° | 180.0° |
| C25 | C26 | C27 | H27 | 179.6° | 180.0° |
| C27 | C26 | C25 | H25 | 179.9° | 180.0° |
| C28 | C29 | S30 | H29 | 120.0° | 119.8° |
| C28 | C29 | S30 | H29A | 120.0° | 119.9° |
| C28 | C29 | S30 | C31 | 47.0° | 55.6° |
| C28 | C29 | S30 | O33 | 64.6° | 169.9° |
| C28 | C29 | S30 | O34 | 164.8° | 58.8° |
| C29 | C28 | H28 | H28A | 119.2° | 120.0° |
| C28 | C29 | H29 | H29A | 119.3° | 120.3° |
| C29 | S30 | C31 | O33 | 115.2° | 114.3° |
| C29 | S30 | C31 | O34 | 115.6° | 114.4° |
| C29 | S30 | O33 | O34 | 124.2° | 125.3° |
| C29 | S30 | C31 | C32 | 50.2° | 55.5° |
| S30 | C29 | C28 | H28 | 172.1° | 61.7° |
| S30 | C29 | C28 | H28A | 67.9° | 178.3° |
| S30 | C29 | H29 | H29A | 119.3° | 120.3° |
| C29 | S30 | C31 | H31 | 69.8° | 175.4° |
| C29 | S30 | C31 | H31A | 170.2° | 64.3° |
| C31 | S30 | O33 | O34 | 124.3° | 125.3° |
| S30 | C31 | C32 | H31 | 120.0° | 119.9° |
| S30 | C31 | C32 | H31A | 120.0° | 119.9° |
| C31 | S30 | C29 | H29 | 73.0° | 175.4° |
| C31 | S30 | C29 | H29A | 167.0° | 64.2° |
| S30 | C31 | H31 | H31A | 120.0° | 120.3° |
| S30 | C31 | C32 | H32 | 61.0° | 178.2° |
| S30 | C31 | C32 | H32A | 179.0° | 61.9° |
| O33 | S30 | C31 | C32 | 65.0° | 169.8° |
| O33 | S30 | C29 | H29 | 175.4° | 70.3° |
| O33 | S30 | C29 | H29A | 55.4° | 50.0° |
| O33 | S30 | C31 | H31 | 175.0° | 70.3° |
| O33 | S30 | C31 | H31A | 55.0° | 50.0° |
| O34 | S30 | C31 | C32 | 165.8° | 58.9° |
| O34 | S30 | C29 | H29 | 44.9° | 61.0° |
| O34 | S30 | C29 | H29A | 75.2° | 178.6° |
| O34 | S30 | C31 | H31 | 45.8° | 61.0° |
| O34 | S30 | C31 | H31A | 74.2° | 178.6° |
| C32 | C31 | H31 | H31A | 120.1° | 120.1° |
| C31 | C32 | H32 | H32A | 119.5° | 119.8° |
| H15 | C15 | C16 | H16 | 0.7° | 0.0° |
| H21 | C21 | H21A | H21B | 120.0° | 119.9° |
| H22 | C22 | H22A | H22B | 120.0° | 120.0° |
| H23 | C23 | H23A | H23B | 120.0° | 120.0° |
| H24 | C24 | C25 | H25 | 0.2° | 0.0° |
| H25 | C25 | C26 | H26 | 0.1° | 0.0° |
| H26 | C26 | C27 | H27 | 0.4° | 0.1° |
| H28 | C28 | C29 | H29 | 52.1° | 58.1° |
| H28 | C28 | C29 | H29A | 67.9° | 178.4° |
| H28A | C28 | C29 | H29 | 172.1° | 61.9° |
| H28A | C28 | C29 | H29A | 52.1° | 58.4° |
| H31 | C31 | C32 | H32 | 179.0° | 61.9° |
| H31 | C31 | C32 | H32A | 59.0° | 57.9° |
| H31A | C31 | C32 | H32 | 58.9° | 58.3° |
| H31A | C31 | C32 | H32A | 61.0° | 178.2° |
