IZD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.54Å | 1.50Å | |
| C1 | S5 | sing | 1.79Å | 1.80Å | |
| C1 | C11 | sing | 1.50Å | 1.52Å | |
| C1 | H1 | sing | 1.10Å | 1.12Å | |
| C2 | C3 | sing | 1.52Å | 1.50Å | |
| C2 | H2C1 | sing | 1.09Å | 1.12Å | |
| C2 | H2C2 | sing | 1.09Å | 1.12Å | |
| C3 | N4 | sing | 1.43Å | 1.34Å | |
| C3 | O9 | doub | 1.22Å | 1.23Å | |
| N4 | S5 | sing | 1.73Å | 1.82Å | |
| N4 | H4 | sing | 1.03Å | 1.02Å | |
| S5 | O6 | doub | 1.45Å | 1.66Å | |
| S5 | O7 | doub | 1.45Å | 1.65Å | |
| C11 | C12 | sing | 1.39Å | 1.47Å | Aromatic |
| C11 | C16 | doub | 1.39Å | 1.47Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.47Å | Aromatic |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.39Å | 1.48Å | Aromatic |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | doub | 1.39Å | 1.46Å | Aromatic |
| C14 | C21 | sing | 1.51Å | 1.50Å | |
| C15 | C16 | sing | 1.39Å | 1.45Å | Aromatic |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | H211 | sing | 1.10Å | 1.11Å | |
| C21 | H212 | sing | 1.10Å | 1.12Å | |
| C22 | C25 | sing | 1.52Å | 1.51Å | |
| C22 | N45 | sing | 1.45Å | 1.47Å | |
| C22 | H22 | sing | 1.10Å | 1.11Å | |
| C25 | O26 | doub | 1.23Å | 1.22Å | |
| C25 | N27 | sing | 1.38Å | 1.33Å | |
| N27 | H271 | sing | 1.02Å | 1.02Å | |
| N27 | H272 | sing | 1.02Å | 1.02Å | |
| N45 | C47 | sing | 1.39Å | 1.33Å | |
| N45 | H45 | sing | 1.02Å | 1.02Å | |
| C47 | C48 | sing | 1.52Å | 1.51Å | |
| C47 | O49 | doub | 1.23Å | 1.22Å | |
| C48 | N51 | sing | 1.44Å | 1.47Å | |
| C48 | C4 | sing | 1.53Å | 1.52Å | |
| C48 | H48 | sing | 1.10Å | 1.12Å | |
| N51 | C67 | sing | 1.38Å | 1.34Å | |
| N51 | H51 | sing | 1.02Å | 1.02Å | |
| C4 | C5 | sing | 1.51Å | 1.50Å | |
| C4 | H4C1 | sing | 1.10Å | 1.12Å | |
| C4 | H4C2 | sing | 1.10Å | 1.12Å | |
| C5 | C30 | sing | 1.39Å | 1.47Å | Aromatic |
| C5 | C34 | doub | 1.39Å | 1.48Å | Aromatic |
| C30 | C31 | doub | 1.40Å | 1.46Å | Aromatic |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | C6 | sing | 1.40Å | 1.47Å | Aromatic |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C6 | C33 | doub | 1.39Å | 1.47Å | Aromatic |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.39Å | 1.46Å | Aromatic |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C67 | O70 | doub | 1.23Å | 1.24Å | |
| C67 | C71 | sing | 1.49Å | 1.52Å | |
| C71 | H711 | sing | 1.10Å | 1.11Å | |
| C71 | H712 | sing | 1.10Å | 1.12Å | |
| C71 | H713 | sing | 1.10Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | S5 | 103.7° | 105.5° |
| C2 | C1 | C11 | 117.5° | 118.9° |
| C2 | C1 | H1 | 107.9° | 109.1° |
| C1 | C2 | C3 | 108.8° | 105.4° |
| C1 | C2 | H2C1 | 112.5° | 111.3° |
| C1 | C2 | H2C2 | 112.5° | 111.6° |
| S5 | C1 | C11 | 111.7° | 108.9° |
| S5 | C1 | H1 | 107.8° | 106.0° |
| C1 | S5 | N4 | 91.4° | 91.4° |
| C1 | S5 | O6 | 112.9° | 109.5° |
| C1 | S5 | O7 | 108.2° | 110.4° |
| C11 | C1 | H1 | 107.8° | 107.7° |
| C1 | C11 | C12 | 120.6° | 120.0° |
| C1 | C11 | C16 | 119.1° | 120.0° |
| C3 | C2 | H2C1 | 112.5° | 110.8° |
| C3 | C2 | H2C2 | 112.5° | 108.5° |
| C2 | C3 | N4 | 114.7° | 109.5° |
| C2 | C3 | O9 | 124.6° | 125.5° |
| H2C1 | C2 | H2C2 | 98.0° | 109.1° |
| N4 | C3 | O9 | 120.7° | 125.0° |
| C3 | N4 | S5 | 109.3° | 114.0° |
| C3 | N4 | H4 | 125.4° | 119.2° |
| S5 | N4 | H4 | 125.4° | 120.1° |
| N4 | S5 | O6 | 115.3° | 109.6° |
| N4 | S5 | O7 | 111.8° | 108.9° |
| O6 | S5 | O7 | 114.8° | 122.5° |
| C12 | C11 | C16 | 120.4° | 120.0° |
| C11 | C12 | C13 | 119.5° | 120.0° |
| C11 | C12 | H12 | 120.3° | 120.5° |
| C11 | C16 | C15 | 120.2° | 120.0° |
| C11 | C16 | H16 | 119.9° | 120.5° |
| C13 | C12 | H12 | 120.3° | 119.5° |
| C12 | C13 | C14 | 119.5° | 119.4° |
| C12 | C13 | H13 | 120.3° | 119.6° |
| C14 | C13 | H13 | 120.2° | 121.1° |
| C13 | C14 | C15 | 120.4° | 121.3° |
| C13 | C14 | C21 | 120.2° | 119.4° |
| C15 | C14 | C21 | 119.4° | 119.4° |
| C14 | C15 | C16 | 120.0° | 119.3° |
| C14 | C15 | H15 | 120.0° | 121.1° |
| C14 | C21 | C22 | 112.5° | 112.7° |
| C14 | C21 | H211 | 111.1° | 109.7° |
| C14 | C21 | H212 | 111.1° | 108.2° |
| C16 | C15 | H15 | 120.0° | 119.5° |
| C15 | C16 | H16 | 119.9° | 119.5° |
| C22 | C21 | H211 | 111.1° | 110.2° |
| C22 | C21 | H212 | 111.1° | 110.4° |
| C21 | C22 | C25 | 109.5° | 110.4° |
| C21 | C22 | N45 | 108.2° | 112.2° |
| C21 | C22 | H22 | 109.4° | 111.3° |
| H211 | C21 | H212 | 99.2° | 105.3° |
| C25 | C22 | N45 | 111.0° | 107.1° |
| C25 | C22 | H22 | 109.4° | 109.0° |
| C22 | C25 | O26 | 121.7° | 123.8° |
| C22 | C25 | N27 | 117.7° | 112.8° |
| N45 | C22 | H22 | 109.4° | 106.6° |
| C22 | N45 | C47 | 115.2° | 123.3° |
| C22 | N45 | H45 | 122.4° | 118.3° |
| O26 | C25 | N27 | 120.5° | 123.4° |
| C25 | N27 | H271 | 117.7° | 118.8° |
| C25 | N27 | H272 | 120.5° | 122.4° |
| H271 | N27 | H272 | 121.6° | 118.8° |
| C47 | N45 | H45 | 122.4° | 118.4° |
| N45 | C47 | C48 | 117.6° | 112.0° |
| N45 | C47 | O49 | 120.7° | 125.0° |
| C48 | C47 | O49 | 121.7° | 122.9° |
| C47 | C48 | N51 | 111.1° | 107.2° |
| C47 | C48 | C4 | 109.3° | 110.4° |
| C47 | C48 | H48 | 109.2° | 109.1° |
| N51 | C48 | C4 | 108.9° | 112.2° |
| N51 | C48 | H48 | 109.2° | 106.5° |
| C48 | N51 | C67 | 120.8° | 123.3° |
| C48 | N51 | H51 | 119.6° | 118.3° |
| C4 | C48 | H48 | 109.2° | 111.3° |
| C48 | C4 | C5 | 112.9° | 112.7° |
| C48 | C4 | H4C1 | 110.9° | 110.3° |
| C48 | C4 | H4C2 | 110.9° | 110.4° |
| C67 | N51 | H51 | 119.6° | 118.4° |
| N51 | C67 | O70 | 120.6° | 126.3° |
| N51 | C67 | C71 | 119.5° | 114.2° |
| C5 | C4 | H4C1 | 111.0° | 109.7° |
| C5 | C4 | H4C2 | 110.9° | 108.3° |
| C4 | C5 | C30 | 119.7° | 119.3° |
| C4 | C5 | C34 | 120.0° | 119.3° |
| H4C1 | C4 | H4C2 | 99.4° | 105.2° |
| C30 | C5 | C34 | 120.2° | 121.3° |
| C5 | C30 | C31 | 119.9° | 119.3° |
| C5 | C30 | H30 | 120.0° | 121.2° |
| C5 | C34 | C33 | 119.8° | 119.4° |
| C5 | C34 | H34 | 120.1° | 121.2° |
| C31 | C30 | H30 | 120.0° | 119.5° |
| C30 | C31 | C6 | 119.9° | 120.0° |
| C30 | C31 | H31 | 120.0° | 120.0° |
| C6 | C31 | H31 | 120.0° | 120.0° |
| C31 | C6 | C33 | 120.3° | 120.0° |
| C31 | C6 | H6 | 119.8° | 120.0° |
| C33 | C6 | H6 | 119.9° | 120.0° |
| C6 | C33 | C34 | 119.8° | 120.0° |
| C6 | C33 | H33 | 120.1° | 120.0° |
| C34 | C33 | H33 | 120.1° | 120.0° |
| C33 | C34 | H34 | 120.1° | 119.4° |
| O70 | C67 | C71 | 119.8° | 119.5° |
| C67 | C71 | H711 | 119.5° | 112.4° |
| C67 | C71 | H712 | 108.6° | 112.4° |
| C67 | C71 | H713 | 108.6° | 115.3° |
| H711 | C71 | H712 | 108.6° | 105.3° |
| H711 | C71 | H713 | 108.7° | 105.2° |
| H712 | C71 | H713 | 101.4° | 105.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | S5 | C11 | 127.5° | 128.7° |
| C2 | C1 | S5 | H1 | 114.2° | 115.7° |
| C2 | C1 | C11 | H1 | 122.0° | 124.7° |
| C1 | C2 | C3 | H2C1 | 125.3° | 120.5° |
| C1 | C2 | C3 | H2C2 | 125.3° | 119.7° |
| C1 | C2 | H2C1 | H2C2 | 118.4° | 123.7° |
| C1 | C2 | C3 | N4 | 18.6° | 30.7° |
| C1 | C2 | C3 | O9 | 161.5° | 149.7° |
| C2 | C1 | S5 | N4 | 31.6° | 30.0° |
| C2 | C1 | S5 | O6 | 149.9° | 141.4° |
| C2 | C1 | S5 | O7 | 82.0° | 80.8° |
| C2 | C1 | C11 | C12 | 30.7° | 154.7° |
| C2 | C1 | C11 | C16 | 148.6° | 25.3° |
| S5 | C1 | C11 | H1 | 118.3° | 114.5° |
| S5 | C1 | C2 | C3 | 33.3° | 38.9° |
| S5 | C1 | C2 | H2C1 | 158.6° | 159.1° |
| S5 | C1 | C2 | H2C2 | 92.0° | 78.7° |
| C1 | S5 | N4 | C3 | 22.8° | 12.9° |
| C1 | S5 | N4 | O6 | 116.2° | 111.3° |
| C1 | S5 | N4 | O7 | 110.2° | 112.2° |
| C1 | S5 | N4 | H4 | 157.2° | 138.2° |
| C1 | S5 | O6 | O7 | 124.6° | 131.7° |
| S5 | C1 | C11 | C12 | 89.0° | 84.5° |
| S5 | C1 | C11 | C16 | 91.7° | 95.5° |
| C11 | C1 | C2 | C3 | 157.1° | 161.4° |
| C11 | C1 | C2 | H2C1 | 77.6° | 78.4° |
| C11 | C1 | C2 | H2C2 | 31.8° | 43.8° |
| C11 | C1 | S5 | N4 | 159.1° | 158.7° |
| C11 | C1 | S5 | O6 | 82.6° | 89.9° |
| C11 | C1 | S5 | O7 | 45.5° | 47.9° |
| C1 | C11 | C12 | C16 | 179.3° | 180.0° |
| C1 | C11 | C12 | C13 | 179.6° | 180.0° |
| C1 | C11 | C12 | H12 | 0.4° | 0.1° |
| C1 | C11 | C16 | C15 | 179.6° | 180.0° |
| C1 | C11 | C16 | H16 | 0.4° | 0.0° |
| H1 | C1 | C2 | C3 | 80.9° | 74.6° |
| H1 | C1 | C2 | H2C1 | 44.4° | 45.6° |
| H1 | C1 | C2 | H2C2 | 153.8° | 167.9° |
| H1 | C1 | S5 | N4 | 82.6° | 85.7° |
| H1 | C1 | S5 | O6 | 35.7° | 25.7° |
| H1 | C1 | S5 | O7 | 163.8° | 163.6° |
| H1 | C1 | C11 | C12 | 152.7° | 30.0° |
| H1 | C1 | C11 | C16 | 26.6° | 150.0° |
| C3 | C2 | H2C1 | H2C2 | 118.4° | 119.4° |
| C2 | C3 | N4 | O9 | 179.9° | 179.6° |
| C2 | C3 | N4 | S5 | 6.0° | 8.9° |
| C2 | C3 | N4 | H4 | 174.0° | 160.3° |
| H2C1 | C2 | C3 | N4 | 143.8° | 151.3° |
| H2C1 | C2 | C3 | O9 | 36.3° | 29.1° |
| H2C2 | C2 | C3 | N4 | 106.7° | 89.0° |
| H2C2 | C2 | C3 | O9 | 73.2° | 90.6° |
| C3 | N4 | S5 | H4 | 180.0° | 151.1° |
| C3 | N4 | S5 | O6 | 139.0° | 124.3° |
| C3 | N4 | S5 | O7 | 87.5° | 99.2° |
| O9 | C3 | N4 | S5 | 173.9° | 171.5° |
| O9 | C3 | N4 | H4 | 6.1° | 20.1° |
| N4 | S5 | O6 | O7 | 132.2° | 129.4° |
| H4 | N4 | S5 | O6 | 41.0° | 26.9° |
| H4 | N4 | S5 | O7 | 92.5° | 109.6° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.5° | 0.0° |
| C11 | C12 | C13 | H13 | 179.6° | 180.0° |
| C12 | C11 | C16 | C15 | 1.1° | 0.0° |
| C12 | C11 | C16 | H16 | 178.9° | 180.0° |
| C16 | C11 | C12 | C13 | 1.1° | 0.0° |
| C16 | C11 | C12 | H12 | 178.9° | 179.9° |
| C11 | C16 | C15 | C14 | 0.5° | 0.0° |
| C11 | C16 | C15 | H16 | 180.0° | 180.0° |
| C11 | C16 | C15 | H15 | 179.5° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 2.0° | 0.0° |
| C12 | C13 | C14 | C21 | 179.6° | 179.9° |
| H12 | C12 | C13 | C14 | 179.5° | 180.0° |
| H12 | C12 | C13 | H13 | 0.4° | 0.1° |
| C13 | C14 | C15 | C21 | 178.4° | 179.9° |
| C13 | C14 | C15 | C16 | 2.0° | 0.0° |
| C13 | C14 | C15 | H15 | 177.9° | 179.9° |
| C13 | C14 | C21 | C22 | 118.5° | 90.1° |
| C13 | C14 | C21 | H211 | 116.2° | 33.1° |
| C13 | C14 | C21 | H212 | 6.8° | 147.5° |
| H13 | C13 | C14 | C15 | 178.0° | 180.0° |
| H13 | C13 | C14 | C21 | 0.4° | 0.1° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | H16 | 179.5° | 180.0° |
| C15 | C14 | C21 | C22 | 59.9° | 90.0° |
| C15 | C14 | C21 | H211 | 65.4° | 146.8° |
| C15 | C14 | C21 | H212 | 174.9° | 32.4° |
| C21 | C14 | C15 | C16 | 179.6° | 179.9° |
| C21 | C14 | C15 | H15 | 0.4° | 0.0° |
| C14 | C21 | C22 | H211 | 125.3° | 122.9° |
| C14 | C21 | C22 | H212 | 125.3° | 121.2° |
| C14 | C21 | H211 | H212 | 117.0° | 116.2° |
| C14 | C21 | C22 | C25 | 72.3° | 161.2° |
| C14 | C21 | C22 | N45 | 166.5° | 79.4° |
| C14 | C21 | C22 | H22 | 47.5° | 40.0° |
| H15 | C15 | C16 | H16 | 0.5° | 0.0° |
| C22 | C21 | H211 | H212 | 117.0° | 119.1° |
| C21 | C22 | C25 | N45 | 119.4° | 122.4° |
| C21 | C22 | C25 | H22 | 119.8° | 122.6° |
| C21 | C22 | N45 | H22 | 119.0° | 122.1° |
| C21 | C22 | C25 | O26 | 93.3° | 87.4° |
| C21 | C22 | C25 | N27 | 82.9° | 94.8° |
| C21 | C22 | N45 | C47 | 168.2° | 122.1° |
| C21 | C22 | N45 | H45 | 11.7° | 57.9° |
| H211 | C21 | C22 | C25 | 162.4° | 38.3° |
| H211 | C21 | C22 | N45 | 41.3° | 157.7° |
| H211 | C21 | C22 | H22 | 77.8° | 82.9° |
| H212 | C21 | C22 | C25 | 52.9° | 77.6° |
| H212 | C21 | C22 | N45 | 68.2° | 41.8° |
| H212 | C21 | C22 | H22 | 172.7° | 161.2° |
| C25 | C22 | N45 | H22 | 120.8° | 116.6° |
| C22 | C25 | O26 | N27 | 176.1° | 177.5° |
| C22 | C25 | N27 | H271 | 180.0° | 178.8° |
| C22 | C25 | N27 | H272 | 3.7° | 1.1° |
| C25 | C22 | N45 | C47 | 71.6° | 116.6° |
| C25 | C22 | N45 | H45 | 108.4° | 63.4° |
| N45 | C22 | C25 | O26 | 147.3° | 35.0° |
| N45 | C22 | C25 | N27 | 36.5° | 142.7° |
| C22 | N45 | C47 | H45 | 180.0° | 180.0° |
| C22 | N45 | C47 | C48 | 178.2° | 177.7° |
| C22 | N45 | C47 | O49 | 1.5° | 0.0° |
| H22 | C22 | C25 | O26 | 26.5° | 150.0° |
| H22 | C22 | C25 | N27 | 157.3° | 27.7° |
| H22 | C22 | N45 | C47 | 49.2° | 0.0° |
| H22 | C22 | N45 | H45 | 130.8° | 180.0° |
| O26 | C25 | N27 | H271 | 3.7° | 1.1° |
| O26 | C25 | N27 | H272 | 180.0° | 178.9° |
| C25 | N27 | H271 | H272 | 176.3° | 180.0° |
| N45 | C47 | C48 | O49 | 179.6° | 177.8° |
| N45 | C47 | C48 | N51 | 132.6° | 142.7° |
| N45 | C47 | C48 | C4 | 107.2° | 94.8° |
| N45 | C47 | C48 | H48 | 12.2° | 27.8° |
| H45 | N45 | C47 | C48 | 1.9° | 2.3° |
| H45 | N45 | C47 | O49 | 178.5° | 180.0° |
| C47 | C48 | N51 | C4 | 120.4° | 121.3° |
| C47 | C48 | N51 | H48 | 120.4° | 116.7° |
| C47 | C48 | C4 | H48 | 119.4° | 121.2° |
| C47 | C48 | N51 | C67 | 109.2° | 86.7° |
| C47 | C48 | N51 | H51 | 70.8° | 93.3° |
| C47 | C48 | C4 | C5 | 159.4° | 161.2° |
| C47 | C48 | C4 | H4C1 | 34.1° | 38.3° |
| C47 | C48 | C4 | H4C2 | 75.3° | 77.5° |
| O49 | C47 | C48 | N51 | 47.8° | 35.0° |
| O49 | C47 | C48 | C4 | 72.4° | 87.5° |
| O49 | C47 | C48 | H48 | 168.2° | 150.0° |
| N51 | C48 | C4 | H48 | 119.1° | 119.3° |
| C48 | N51 | C67 | H51 | 180.0° | 180.0° |
| N51 | C48 | C4 | C5 | 79.1° | 79.3° |
| N51 | C48 | C4 | H4C1 | 155.6° | 157.8° |
| N51 | C48 | C4 | H4C2 | 46.2° | 42.0° |
| C48 | N51 | C67 | O70 | 1.5° | 0.0° |
| C48 | N51 | C67 | C71 | 175.7° | 179.9° |
| C4 | C48 | N51 | C67 | 130.4° | 152.0° |
| C4 | C48 | N51 | H51 | 49.6° | 28.0° |
| C48 | C4 | C5 | H4C1 | 125.2° | 123.3° |
| C48 | C4 | C5 | H4C2 | 125.3° | 122.5° |
| C48 | C4 | H4C1 | H4C2 | 116.8° | 119.0° |
| C48 | C4 | C5 | C30 | 89.6° | 90.0° |
| C48 | C4 | C5 | C34 | 90.8° | 90.0° |
| H48 | C48 | N51 | C67 | 11.3° | 30.0° |
| H48 | C48 | N51 | H51 | 168.8° | 150.0° |
| H48 | C48 | C4 | C5 | 40.0° | 40.0° |
| H48 | C48 | C4 | H4C1 | 85.2° | 82.9° |
| H48 | C48 | C4 | H4C2 | 165.3° | 161.3° |
| N51 | C67 | O70 | C71 | 177.2° | 179.9° |
| N51 | C67 | C71 | H711 | 180.0° | 120.8° |
| N51 | C67 | C71 | H712 | 54.7° | 120.6° |
| N51 | C67 | C71 | H713 | 54.7° | 0.1° |
| H51 | N51 | C67 | O70 | 178.5° | 180.0° |
| H51 | N51 | C67 | C71 | 4.3° | 0.1° |
| C5 | C4 | H4C1 | H4C2 | 116.8° | 116.3° |
| C4 | C5 | C30 | C34 | 179.6° | 180.0° |
| C4 | C5 | C30 | C31 | 179.9° | 179.9° |
| C4 | C5 | C30 | H30 | 0.2° | 0.1° |
| C4 | C5 | C34 | C33 | 179.9° | 180.0° |
| C4 | C5 | C34 | H34 | 0.1° | 0.0° |
| H4C1 | C4 | C5 | C30 | 35.6° | 33.3° |
| H4C1 | C4 | C5 | C34 | 144.0° | 146.7° |
| H4C2 | C4 | C5 | C30 | 145.1° | 147.5° |
| H4C2 | C4 | C5 | C34 | 34.5° | 32.5° |
| C5 | C30 | C31 | H30 | 180.0° | 179.9° |
| C5 | C30 | C31 | C6 | 0.2° | 0.1° |
| C5 | C30 | C31 | H31 | 179.8° | 180.0° |
| C30 | C5 | C34 | C33 | 0.5° | 0.0° |
| C30 | C5 | C34 | H34 | 179.5° | 180.0° |
| C34 | C5 | C30 | C31 | 0.3° | 0.1° |
| C34 | C5 | C30 | H30 | 179.7° | 179.9° |
| C5 | C34 | C33 | C6 | 0.3° | 0.0° |
| C5 | C34 | C33 | H34 | 180.0° | 179.9° |
| C5 | C34 | C33 | H33 | 179.7° | 180.0° |
| C30 | C31 | C6 | H31 | 180.0° | 180.0° |
| C30 | C31 | C6 | C33 | 0.4° | 0.1° |
| C30 | C31 | C6 | H6 | 179.6° | 180.0° |
| H30 | C30 | C31 | C6 | 179.8° | 179.9° |
| H30 | C30 | C31 | H31 | 0.2° | 0.1° |
| C31 | C6 | C33 | H6 | 180.0° | 180.0° |
| C31 | C6 | C33 | C34 | 0.2° | 0.0° |
| C31 | C6 | C33 | H33 | 179.8° | 180.0° |
| H31 | C31 | C6 | C33 | 179.6° | 180.0° |
| H31 | C31 | C6 | H6 | 0.4° | 0.0° |
| C6 | C33 | C34 | H33 | 180.0° | 179.9° |
| C6 | C33 | C34 | H34 | 179.7° | 180.0° |
| H6 | C6 | C33 | C34 | 179.8° | 180.0° |
| H6 | C6 | C33 | H33 | 0.2° | 0.0° |
| H33 | C33 | C34 | H34 | 0.3° | 0.1° |
| O70 | C67 | C71 | H711 | 2.8° | 59.3° |
| O70 | C67 | C71 | H712 | 122.5° | 59.4° |
| O70 | C67 | C71 | H713 | 128.1° | 179.9° |
| C67 | C71 | H711 | H712 | 125.3° | 122.7° |
| C67 | C71 | H711 | H713 | 125.3° | 126.3° |
| C67 | C71 | H712 | H713 | 114.3° | 126.3° |
| H711 | C71 | H712 | H713 | 114.3° | 110.9° |
