AXF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C4 | sing | 1.53Å | 1.56Å | |
| C2 | S1 | sing | 1.81Å | 1.86Å | |
| C2 | C14 | sing | 1.53Å | 1.56Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | N6 | sing | 1.45Å | 1.47Å | |
| C4 | C17 | sing | 1.51Å | 1.49Å | |
| C4 | H4 | sing | 1.10Å | 1.10Å | |
| S1 | C38 | sing | 1.81Å | 1.87Å | |
| N6 | C8 | sing | 1.45Å | 1.48Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| C8 | C11 | sing | 1.53Å | 1.55Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C11 | C14 | sing | 1.53Å | 1.57Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C17 | N18 | sing | 1.36Å | 1.34Å | |
| C17 | O76 | doub | 1.21Å | 1.23Å | |
| N18 | C20 | sing | 1.47Å | 1.44Å | |
| N18 | H18 | sing | 0.98Å | 1.00Å | |
| C20 | C22 | sing | 1.50Å | 1.51Å | |
| C20 | C72 | sing | 1.53Å | 1.54Å | |
| C20 | H20 | sing | 1.10Å | 1.10Å | |
| C22 | N23 | sing | 1.35Å | 1.36Å | |
| C22 | O71 | doub | 1.22Å | 1.21Å | |
| N23 | C25 | sing | 1.46Å | 1.44Å | |
| N23 | H23 | sing | 0.97Å | 1.00Å | |
| C25 | C27 | sing | 1.53Å | 1.56Å | |
| C25 | C41 | sing | 1.53Å | 1.54Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | S30 | sing | 1.81Å | 1.80Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| S30 | C31 | sing | 1.81Å | 1.86Å | |
| C31 | C34 | sing | 1.51Å | 1.50Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C34 | C36 | doub | 1.31Å | 1.33Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C36 | C38 | sing | 1.51Å | 1.51Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C41 | O43 | sing | 1.43Å | 1.44Å | |
| C41 | C45 | sing | 1.53Å | 1.55Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| O43 | H43 | sing | 0.97Å | 0.95Å | |
| C45 | C48 | sing | 1.53Å | 1.55Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C48 | C50 | sing | 1.53Å | 1.54Å | |
| C48 | C54 | sing | 1.51Å | 1.51Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C50 | H502 | sing | 1.09Å | 1.10Å | |
| C50 | H503 | sing | 1.09Å | 1.10Å | |
| C54 | O55 | doub | 1.21Å | 1.23Å | |
| C54 | N56 | sing | 1.35Å | 1.35Å | |
| N56 | C58 | sing | 1.46Å | 1.46Å | |
| N56 | H56 | sing | 0.97Å | 1.00Å | |
| C58 | C61 | sing | 1.53Å | 1.54Å | |
| C58 | H581 | sing | 1.09Å | 1.10Å | |
| C58 | H582 | sing | 1.09Å | 1.10Å | |
| C61 | C64 | sing | 1.53Å | 1.55Å | |
| C61 | H611 | sing | 1.09Å | 1.10Å | |
| C61 | H612 | sing | 1.09Å | 1.10Å | |
| C64 | C67 | sing | 1.53Å | 1.54Å | |
| C64 | H641 | sing | 1.09Å | 1.10Å | |
| C64 | H642 | sing | 1.09Å | 1.10Å | |
| C67 | H671 | sing | 1.09Å | 1.10Å | |
| C67 | H672 | sing | 1.09Å | 1.10Å | |
| C67 | H673 | sing | 1.09Å | 1.10Å | |
| C72 | H721 | sing | 1.09Å | 1.10Å | |
| C72 | H722 | sing | 1.09Å | 1.10Å | |
| C72 | H723 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C2 | S1 | 112.6° | 109.4° |
| C4 | C2 | C14 | 108.1° | 108.4° |
| C4 | C2 | H2 | 109.5° | 109.8° |
| C2 | C4 | N6 | 112.9° | 109.9° |
| C2 | C4 | C17 | 114.3° | 110.0° |
| C2 | C4 | H4 | 105.1° | 108.3° |
| S1 | C2 | C14 | 112.9° | 109.2° |
| S1 | C2 | H2 | 104.4° | 109.9° |
| C2 | S1 | C38 | 101.1° | 99.9° |
| C14 | C2 | H2 | 109.2° | 110.0° |
| C2 | C14 | C11 | 110.0° | 108.4° |
| C2 | C14 | H141 | 109.1° | 109.7° |
| C2 | C14 | H142 | 109.3° | 109.5° |
| N6 | C4 | C17 | 114.1° | 110.6° |
| N6 | C4 | H4 | 105.4° | 109.4° |
| C4 | N6 | C8 | 109.0° | 110.9° |
| C4 | N6 | HN6 | 109.6° | 116.4° |
| C17 | C4 | H4 | 103.7° | 108.5° |
| C4 | C17 | N18 | 113.2° | 118.2° |
| C4 | C17 | O76 | 121.4° | 119.9° |
| S1 | C38 | C36 | 104.9° | 109.3° |
| S1 | C38 | H381 | 112.0° | 109.5° |
| S1 | C38 | H382 | 111.0° | 109.4° |
| C8 | N6 | HN6 | 109.6° | 116.2° |
| N6 | C8 | C11 | 110.2° | 110.8° |
| N6 | C8 | H81 | 109.1° | 110.1° |
| N6 | C8 | H82 | 109.2° | 109.9° |
| C11 | C8 | H81 | 109.1° | 108.8° |
| C11 | C8 | H82 | 109.2° | 108.8° |
| C8 | C11 | C14 | 109.8° | 109.1° |
| C8 | C11 | H111 | 109.3° | 109.4° |
| C8 | C11 | H112 | 109.3° | 109.6° |
| H81 | C8 | H82 | 110.1° | 108.4° |
| C14 | C11 | H111 | 109.3° | 109.4° |
| C14 | C11 | H112 | 109.3° | 109.7° |
| C11 | C14 | H141 | 109.2° | 109.7° |
| C11 | C14 | H142 | 109.3° | 109.7° |
| H111 | C11 | H112 | 109.8° | 109.6° |
| H141 | C14 | H142 | 109.9° | 109.8° |
| N18 | C17 | O76 | 125.4° | 121.9° |
| C17 | N18 | C20 | 120.8° | 119.0° |
| C17 | N18 | H18 | 119.6° | 120.1° |
| C20 | N18 | H18 | 119.6° | 120.9° |
| N18 | C20 | C22 | 103.6° | 111.2° |
| N18 | C20 | C72 | 111.7° | 110.4° |
| N18 | C20 | H20 | 114.8° | 108.6° |
| C22 | C20 | C72 | 116.8° | 110.0° |
| C22 | C20 | H20 | 109.5° | 108.4° |
| C20 | C22 | N23 | 115.4° | 120.2° |
| C20 | C22 | O71 | 120.5° | 120.1° |
| C72 | C20 | H20 | 101.0° | 108.2° |
| C20 | C72 | H721 | 109.4° | 109.5° |
| C20 | C72 | H722 | 109.5° | 109.4° |
| C20 | C72 | H723 | 109.5° | 109.5° |
| N23 | C22 | O71 | 124.1° | 119.7° |
| C22 | N23 | C25 | 119.9° | 120.8° |
| C22 | N23 | H23 | 120.1° | 119.4° |
| C25 | N23 | H23 | 120.1° | 119.7° |
| N23 | C25 | C27 | 111.2° | 110.0° |
| N23 | C25 | C41 | 114.7° | 109.4° |
| N23 | C25 | H25 | 104.1° | 109.6° |
| C27 | C25 | C41 | 108.1° | 109.4° |
| C27 | C25 | H25 | 111.2° | 109.4° |
| C25 | C27 | S30 | 110.1° | 109.5° |
| C25 | C27 | H271 | 109.1° | 109.3° |
| C25 | C27 | H272 | 109.3° | 109.7° |
| C41 | C25 | H25 | 107.5° | 109.0° |
| C25 | C41 | O43 | 109.8° | 109.5° |
| C25 | C41 | C45 | 113.2° | 109.5° |
| C25 | C41 | H41 | 106.5° | 109.4° |
| S30 | C27 | H271 | 109.1° | 109.2° |
| S30 | C27 | H272 | 109.2° | 109.5° |
| C27 | S30 | C31 | 104.4° | 100.0° |
| H271 | C27 | H272 | 110.0° | 109.6° |
| S30 | C31 | C34 | 101.6° | 109.4° |
| S30 | C31 | H311 | 113.8° | 109.6° |
| S30 | C31 | H312 | 112.2° | 109.4° |
| C34 | C31 | H311 | 113.8° | 109.6° |
| C34 | C31 | H312 | 112.2° | 109.4° |
| C31 | C34 | C36 | 120.3° | 119.8° |
| C31 | C34 | H34 | 119.9° | 119.9° |
| H311 | C31 | H312 | 103.6° | 109.5° |
| C36 | C34 | H34 | 119.9° | 120.3° |
| C34 | C36 | C38 | 121.6° | 120.1° |
| C34 | C36 | H36 | 119.2° | 120.1° |
| C38 | C36 | H36 | 119.2° | 119.8° |
| C36 | C38 | H381 | 112.0° | 109.6° |
| C36 | C38 | H382 | 111.0° | 109.5° |
| H381 | C38 | H382 | 106.0° | 109.6° |
| O43 | C41 | C45 | 109.0° | 109.5° |
| O43 | C41 | H41 | 110.9° | 109.5° |
| C41 | O43 | H43 | 109.5° | 106.8° |
| C45 | C41 | H41 | 107.4° | 109.5° |
| C41 | C45 | C48 | 106.0° | 109.5° |
| C41 | C45 | H451 | 111.4° | 109.5° |
| C41 | C45 | H452 | 110.7° | 109.5° |
| C48 | C45 | H451 | 111.4° | 109.5° |
| C48 | C45 | H452 | 110.7° | 109.4° |
| C45 | C48 | C50 | 111.1° | 109.5° |
| C45 | C48 | C54 | 109.0° | 109.5° |
| C45 | C48 | H48 | 108.1° | 109.5° |
| H451 | C45 | H452 | 106.8° | 109.5° |
| C50 | C48 | C54 | 107.7° | 109.5° |
| C50 | C48 | H48 | 109.4° | 109.4° |
| C48 | C50 | H501 | 109.5° | 109.5° |
| C48 | C50 | H502 | 109.5° | 109.5° |
| C48 | C50 | H503 | 109.5° | 109.5° |
| C54 | C48 | H48 | 111.5° | 109.5° |
| C48 | C54 | O55 | 119.5° | 120.0° |
| C48 | C54 | N56 | 116.2° | 120.0° |
| H501 | C50 | H502 | 109.5° | 109.4° |
| H501 | C50 | H503 | 109.5° | 109.5° |
| H502 | C50 | H503 | 109.4° | 109.4° |
| O55 | C54 | N56 | 124.3° | 120.0° |
| C54 | N56 | C58 | 119.6° | 120.0° |
| C54 | N56 | H56 | 120.2° | 120.0° |
| C58 | N56 | H56 | 120.2° | 120.0° |
| N56 | C58 | C61 | 108.6° | 109.5° |
| N56 | C58 | H581 | 110.0° | 109.5° |
| N56 | C58 | H582 | 109.8° | 109.5° |
| C61 | C58 | H581 | 110.0° | 109.5° |
| C61 | C58 | H582 | 109.8° | 109.5° |
| C58 | C61 | C64 | 112.2° | 109.5° |
| C58 | C61 | H611 | 107.9° | 109.5° |
| C58 | C61 | H612 | 108.6° | 109.5° |
| H581 | C58 | H582 | 108.8° | 109.4° |
| C64 | C61 | H611 | 108.0° | 109.4° |
| C64 | C61 | H612 | 108.6° | 109.4° |
| C61 | C64 | C67 | 111.3° | 109.5° |
| C61 | C64 | H641 | 108.4° | 109.4° |
| C61 | C64 | H642 | 108.9° | 109.5° |
| H611 | C61 | H612 | 111.6° | 109.5° |
| C67 | C64 | H641 | 108.4° | 109.5° |
| C67 | C64 | H642 | 108.8° | 109.5° |
| C64 | C67 | H671 | 109.4° | 109.5° |
| C64 | C67 | H672 | 109.5° | 109.5° |
| C64 | C67 | H673 | 109.5° | 109.5° |
| H641 | C64 | H642 | 110.9° | 109.4° |
| H671 | C67 | H672 | 109.5° | 109.4° |
| H671 | C67 | H673 | 109.5° | 109.5° |
| H672 | C67 | H673 | 109.5° | 109.4° |
| H721 | C72 | H722 | 109.5° | 109.4° |
| H721 | C72 | H723 | 109.5° | 109.4° |
| H722 | C72 | H723 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C2 | S1 | C14 | 122.8° | 118.6° |
| C4 | C2 | S1 | H2 | 118.7° | 120.7° |
| C4 | C2 | C14 | H2 | 119.1° | 120.1° |
| C2 | C4 | N6 | C17 | 132.7° | 121.7° |
| C2 | C4 | N6 | H4 | 114.2° | 118.8° |
| C2 | C4 | C17 | H4 | 113.9° | 118.3° |
| C4 | C2 | S1 | C38 | 163.3° | 154.5° |
| C2 | C4 | N6 | C8 | 62.7° | 62.0° |
| C2 | C4 | N6 | HN6 | 57.2° | 162.2° |
| C4 | C2 | C14 | C11 | 53.3° | 58.8° |
| C4 | C2 | C14 | H141 | 173.0° | 61.0° |
| C4 | C2 | C14 | H142 | 66.7° | 178.5° |
| C2 | C4 | C17 | N18 | 29.2° | 102.6° |
| C2 | C4 | C17 | O76 | 151.3° | 76.8° |
| S1 | C2 | C14 | H2 | 115.6° | 120.7° |
| S1 | C2 | C4 | N6 | 67.3° | 58.1° |
| S1 | C2 | C4 | C17 | 65.3° | 63.9° |
| S1 | C2 | C4 | H4 | 178.4° | 177.6° |
| S1 | C2 | C14 | C11 | 72.0° | 60.4° |
| S1 | C2 | C14 | H141 | 47.8° | 179.8° |
| S1 | C2 | C14 | H142 | 168.0° | 59.3° |
| C2 | S1 | C38 | C36 | 56.8° | 126.0° |
| C2 | S1 | C38 | H381 | 65.0° | 5.9° |
| C2 | S1 | C38 | H382 | 176.8° | 114.2° |
| C14 | C2 | C4 | N6 | 58.2° | 61.0° |
| C14 | C2 | C4 | C17 | 169.2° | 177.0° |
| C14 | C2 | C4 | H4 | 56.2° | 58.5° |
| C14 | C2 | S1 | C38 | 74.0° | 87.0° |
| C2 | C14 | C11 | C8 | 55.4° | 57.4° |
| C2 | C14 | C11 | H141 | 119.7° | 119.8° |
| C2 | C14 | C11 | H142 | 120.0° | 119.6° |
| C2 | C14 | C11 | H111 | 175.2° | 177.0° |
| C2 | C14 | C11 | H112 | 64.6° | 62.7° |
| C2 | C14 | H141 | H142 | 119.9° | 120.4° |
| H2 | C2 | C4 | N6 | 177.1° | 178.9° |
| H2 | C2 | C4 | C17 | 50.3° | 56.8° |
| H2 | C2 | C4 | H4 | 62.7° | 61.7° |
| H2 | C2 | S1 | C38 | 44.5° | 33.8° |
| H2 | C2 | C14 | C11 | 172.4° | 178.8° |
| H2 | C2 | C14 | H141 | 67.8° | 59.1° |
| H2 | C2 | C14 | H142 | 52.4° | 61.5° |
| N6 | C4 | C17 | H4 | 114.1° | 120.0° |
| C4 | N6 | C8 | HN6 | 120.0° | 135.9° |
| C4 | N6 | C8 | C11 | 62.2° | 60.7° |
| C4 | N6 | C8 | H81 | 57.5° | 59.7° |
| C4 | N6 | C8 | H82 | 177.8° | 179.1° |
| N6 | C4 | C17 | N18 | 161.3° | 135.7° |
| N6 | C4 | C17 | O76 | 19.3° | 44.8° |
| C17 | C4 | N6 | C8 | 164.6° | 176.3° |
| C17 | C4 | N6 | HN6 | 75.5° | 40.5° |
| C4 | C17 | N18 | O76 | 179.4° | 179.4° |
| C4 | C17 | N18 | C20 | 173.6° | 171.4° |
| C4 | C17 | N18 | H18 | 6.4° | 9.0° |
| H4 | C4 | N6 | C8 | 51.5° | 56.9° |
| H4 | C4 | N6 | HN6 | 171.5° | 79.0° |
| H4 | C4 | C17 | N18 | 84.6° | 15.7° |
| H4 | C4 | C17 | O76 | 94.8° | 164.8° |
| S1 | C38 | C36 | C34 | 126.0° | 134.2° |
| S1 | C38 | C36 | H381 | 121.7° | 120.0° |
| S1 | C38 | C36 | H382 | 120.0° | 119.8° |
| S1 | C38 | C36 | H36 | 54.0° | 45.7° |
| S1 | C38 | H381 | H382 | 121.2° | 120.0° |
| N6 | C8 | C11 | H81 | 119.7° | 121.2° |
| N6 | C8 | C11 | H82 | 120.0° | 120.9° |
| N6 | C8 | H81 | H82 | 119.8° | 120.2° |
| N6 | C8 | C11 | C14 | 59.5° | 58.3° |
| N6 | C8 | C11 | H111 | 179.4° | 177.9° |
| N6 | C8 | C11 | H112 | 60.4° | 61.8° |
| HN6 | N6 | C8 | C11 | 57.8° | 163.4° |
| HN6 | N6 | C8 | H81 | 177.5° | 76.2° |
| HN6 | N6 | C8 | H82 | 62.2° | 43.1° |
| C11 | C8 | H81 | H82 | 119.8° | 118.1° |
| C8 | C11 | C14 | H111 | 119.8° | 119.6° |
| C8 | C11 | C14 | H112 | 120.0° | 120.1° |
| C8 | C11 | H111 | H112 | 119.9° | 120.3° |
| C8 | C11 | C14 | H141 | 175.2° | 62.3° |
| C8 | C11 | C14 | H142 | 64.6° | 177.0° |
| H81 | C8 | C11 | C14 | 60.2° | 62.8° |
| H81 | C8 | C11 | H111 | 59.7° | 56.7° |
| H81 | C8 | C11 | H112 | 179.9° | 177.0° |
| H82 | C8 | C11 | C14 | 179.5° | 179.2° |
| H82 | C8 | C11 | H111 | 60.7° | 61.2° |
| H82 | C8 | C11 | H112 | 59.5° | 59.1° |
| C14 | C11 | H111 | H112 | 119.9° | 120.4° |
| C11 | C14 | H141 | H142 | 119.9° | 120.6° |
| H111 | C11 | C14 | H141 | 65.0° | 57.2° |
| H111 | C11 | C14 | H142 | 55.2° | 63.4° |
| H112 | C11 | C14 | H141 | 55.2° | 177.5° |
| H112 | C11 | C14 | H142 | 175.4° | 56.9° |
| C17 | N18 | C20 | H18 | 180.0° | 179.5° |
| C17 | N18 | C20 | C22 | 161.6° | 58.6° |
| C17 | N18 | C20 | C72 | 71.9° | 63.9° |
| C17 | N18 | C20 | H20 | 42.3° | 177.7° |
| O76 | C17 | N18 | C20 | 5.8° | 9.1° |
| O76 | C17 | N18 | H18 | 174.2° | 170.4° |
| N18 | C20 | C22 | C72 | 123.2° | 122.7° |
| N18 | C20 | C22 | H20 | 122.9° | 119.2° |
| N18 | C20 | C72 | H20 | 122.5° | 118.7° |
| N18 | C20 | C22 | N23 | 56.2° | 84.0° |
| N18 | C20 | C22 | O71 | 123.4° | 96.5° |
| N18 | C20 | C72 | H721 | 27.2° | 60.0° |
| N18 | C20 | C72 | H722 | 147.3° | 180.0° |
| N18 | C20 | C72 | H723 | 92.8° | 60.0° |
| H18 | N18 | C20 | C22 | 18.4° | 120.9° |
| H18 | N18 | C20 | C72 | 108.1° | 116.6° |
| H18 | N18 | C20 | H20 | 137.7° | 1.8° |
| C22 | C20 | C72 | H20 | 118.6° | 118.2° |
| C20 | C22 | N23 | O71 | 179.6° | 179.5° |
| C20 | C22 | N23 | C25 | 177.4° | 168.7° |
| C20 | C22 | N23 | H23 | 2.6° | 11.5° |
| C22 | C20 | C72 | H721 | 146.1° | 63.1° |
| C22 | C20 | C72 | H722 | 93.8° | 56.9° |
| C22 | C20 | C72 | H723 | 26.1° | 176.9° |
| C72 | C20 | C22 | N23 | 179.4° | 153.3° |
| C72 | C20 | C22 | O71 | 0.2° | 26.2° |
| C20 | C72 | H721 | H722 | 120.0° | 120.0° |
| C20 | C72 | H721 | H723 | 120.0° | 120.1° |
| C20 | C72 | H722 | H723 | 120.0° | 120.0° |
| H20 | C20 | C22 | N23 | 66.7° | 35.2° |
| H20 | C20 | C22 | O71 | 113.7° | 144.3° |
| H20 | C20 | C72 | H721 | 95.2° | 178.7° |
| H20 | C20 | C72 | H722 | 24.8° | 61.3° |
| H20 | C20 | C72 | H723 | 144.8° | 58.6° |
| C22 | N23 | C25 | H23 | 180.0° | 179.8° |
| C22 | N23 | C25 | C27 | 136.6° | 71.1° |
| C22 | N23 | C25 | C41 | 100.4° | 168.7° |
| C22 | N23 | C25 | H25 | 16.8° | 49.2° |
| O71 | C22 | N23 | C25 | 2.2° | 10.9° |
| O71 | C22 | N23 | H23 | 177.8° | 168.9° |
| N23 | C25 | C27 | C41 | 126.7° | 120.2° |
| N23 | C25 | C27 | H25 | 115.5° | 120.4° |
| N23 | C25 | C41 | H25 | 115.2° | 119.8° |
| N23 | C25 | C27 | S30 | 43.5° | 112.9° |
| N23 | C25 | C27 | H271 | 163.2° | 127.5° |
| N23 | C25 | C27 | H272 | 76.5° | 7.3° |
| N23 | C25 | C41 | O43 | 68.1° | 60.2° |
| N23 | C25 | C41 | C45 | 54.0° | 59.9° |
| N23 | C25 | C41 | H41 | 171.8° | 179.8° |
| H23 | N23 | C25 | C27 | 43.4° | 108.7° |
| H23 | N23 | C25 | C41 | 79.7° | 11.5° |
| H23 | N23 | C25 | H25 | 163.2° | 131.0° |
| C27 | C25 | C41 | H25 | 120.1° | 119.6° |
| C25 | C27 | S30 | H271 | 119.7° | 119.7° |
| C25 | C27 | S30 | H272 | 120.0° | 120.3° |
| C25 | C27 | H271 | H272 | 119.9° | 120.2° |
| C25 | C27 | S30 | C31 | 70.5° | 163.5° |
| C27 | C25 | C41 | O43 | 56.6° | 60.4° |
| C27 | C25 | C41 | C45 | 178.6° | 179.5° |
| C27 | C25 | C41 | H41 | 63.5° | 59.5° |
| C41 | C25 | C27 | S30 | 170.2° | 7.4° |
| C41 | C25 | C27 | H271 | 70.1° | 112.3° |
| C41 | C25 | C27 | H272 | 50.2° | 127.5° |
| C25 | C41 | O43 | C45 | 124.5° | 120.1° |
| C25 | C41 | O43 | H41 | 117.4° | 119.9° |
| C25 | C41 | C45 | H41 | 117.3° | 119.9° |
| C25 | C41 | O43 | H43 | 74.6° | 60.1° |
| C25 | C41 | C45 | C48 | 156.3° | 174.4° |
| C25 | C41 | C45 | H451 | 34.9° | 54.4° |
| C25 | C41 | C45 | H452 | 83.7° | 65.6° |
| H25 | C25 | C27 | S30 | 72.1° | 126.7° |
| H25 | C25 | C27 | H271 | 47.6° | 7.1° |
| H25 | C25 | C27 | H272 | 167.9° | 113.1° |
| H25 | C25 | C41 | O43 | 176.7° | 180.0° |
| H25 | C25 | C41 | C45 | 61.3° | 59.9° |
| H25 | C25 | C41 | H41 | 56.6° | 60.1° |
| S30 | C27 | H271 | H272 | 119.8° | 119.9° |
| C27 | S30 | C31 | C34 | 170.6° | 77.1° |
| C27 | S30 | C31 | H311 | 47.8° | 162.8° |
| C27 | S30 | C31 | H312 | 69.4° | 42.7° |
| H271 | C27 | S30 | C31 | 49.2° | 76.8° |
| H272 | C27 | S30 | C31 | 169.5° | 43.2° |
| S30 | C31 | C34 | H311 | 122.8° | 120.2° |
| S30 | C31 | C34 | H312 | 120.0° | 119.8° |
| S30 | C31 | H311 | H312 | 122.1° | 120.0° |
| S30 | C31 | C34 | C36 | 95.2° | 122.1° |
| S30 | C31 | C34 | H34 | 84.8° | 58.1° |
| C34 | C31 | H311 | H312 | 122.1° | 120.0° |
| C31 | C34 | C36 | H34 | 180.0° | 179.9° |
| C31 | C34 | C36 | C38 | 173.1° | 179.8° |
| C31 | C34 | C36 | H36 | 6.9° | 0.1° |
| H311 | C31 | C34 | C36 | 27.6° | 117.8° |
| H311 | C31 | C34 | H34 | 152.4° | 62.1° |
| H312 | C31 | C34 | C36 | 144.9° | 2.3° |
| H312 | C31 | C34 | H34 | 35.1° | 177.8° |
| C34 | C36 | C38 | H36 | 180.0° | 179.9° |
| C34 | C36 | C38 | H381 | 4.3° | 14.3° |
| C34 | C36 | C38 | H382 | 114.0° | 106.0° |
| H34 | C34 | C36 | C38 | 6.9° | 0.3° |
| H34 | C34 | C36 | H36 | 173.1° | 179.8° |
| C36 | C38 | H381 | H382 | 121.2° | 120.2° |
| H36 | C36 | C38 | H381 | 175.7° | 165.6° |
| H36 | C36 | C38 | H382 | 66.0° | 74.1° |
| O43 | C41 | C45 | H41 | 120.2° | 120.0° |
| O43 | C41 | C45 | C48 | 81.2° | 65.5° |
| O43 | C41 | C45 | H451 | 157.5° | 174.5° |
| O43 | C41 | C45 | H452 | 38.8° | 54.5° |
| C45 | C41 | O43 | H43 | 49.9° | 60.0° |
| C41 | C45 | C48 | H451 | 121.3° | 120.0° |
| C41 | C45 | C48 | H452 | 120.0° | 120.0° |
| C41 | C45 | H451 | H452 | 120.9° | 120.0° |
| C41 | C45 | C48 | C50 | 159.3° | 173.3° |
| C41 | C45 | C48 | C54 | 82.2° | 66.7° |
| C41 | C45 | C48 | H48 | 39.2° | 53.4° |
| H41 | C41 | O43 | H43 | 167.9° | 180.0° |
| H41 | C41 | C45 | C48 | 39.0° | 54.5° |
| H41 | C41 | C45 | H451 | 82.3° | 65.5° |
| H41 | C41 | C45 | H452 | 159.0° | 174.5° |
| C48 | C45 | H451 | H452 | 121.0° | 120.0° |
| C45 | C48 | C50 | C54 | 119.3° | 120.0° |
| C45 | C48 | C50 | H48 | 119.3° | 120.0° |
| C45 | C48 | C54 | H48 | 119.3° | 120.1° |
| C45 | C48 | C50 | H501 | 141.8° | 62.4° |
| C45 | C48 | C50 | H502 | 21.8° | 177.7° |
| C45 | C48 | C50 | H503 | 98.2° | 57.7° |
| C45 | C48 | C54 | O55 | 41.9° | 0.0° |
| C45 | C48 | C54 | N56 | 137.8° | 180.0° |
| H451 | C45 | C48 | C50 | 79.4° | 66.6° |
| H451 | C45 | C48 | C54 | 39.2° | 53.3° |
| H451 | C45 | C48 | H48 | 160.5° | 173.4° |
| H452 | C45 | C48 | C50 | 39.3° | 53.3° |
| H452 | C45 | C48 | C54 | 157.8° | 173.3° |
| H452 | C45 | C48 | H48 | 80.8° | 66.6° |
| C50 | C48 | C54 | H48 | 120.1° | 120.0° |
| C48 | C50 | H501 | H502 | 120.0° | 120.0° |
| C48 | C50 | H501 | H503 | 120.0° | 120.1° |
| C48 | C50 | H502 | H503 | 120.0° | 120.0° |
| C50 | C48 | C54 | O55 | 78.8° | 120.0° |
| C50 | C48 | C54 | N56 | 101.5° | 60.0° |
| C54 | C48 | C50 | H501 | 22.4° | 57.6° |
| C54 | C48 | C50 | H502 | 97.6° | 62.3° |
| C54 | C48 | C50 | H503 | 142.4° | 177.7° |
| C48 | C54 | O55 | N56 | 179.7° | 180.0° |
| C48 | C54 | N56 | C58 | 179.9° | 180.0° |
| C48 | C54 | N56 | H56 | 0.1° | 0.0° |
| H48 | C48 | C50 | H501 | 99.0° | 177.6° |
| H48 | C48 | C50 | H502 | 141.0° | 57.7° |
| H48 | C48 | C50 | H503 | 21.1° | 62.3° |
| H48 | C48 | C54 | O55 | 161.1° | 120.0° |
| H48 | C48 | C54 | N56 | 18.5° | 59.9° |
| H501 | C50 | H502 | H503 | 120.0° | 119.9° |
| O55 | C54 | N56 | C58 | 0.2° | 0.0° |
| O55 | C54 | N56 | H56 | 179.8° | 180.0° |
| C54 | N56 | C58 | H56 | 180.0° | 180.0° |
| C54 | N56 | C58 | C61 | 168.0° | 180.0° |
| C54 | N56 | C58 | H581 | 71.6° | 60.0° |
| C54 | N56 | C58 | H582 | 48.0° | 59.9° |
| N56 | C58 | C61 | H581 | 120.4° | 120.0° |
| N56 | C58 | C61 | H582 | 120.0° | 120.1° |
| N56 | C58 | H581 | H582 | 120.2° | 120.0° |
| N56 | C58 | C61 | C64 | 162.5° | 180.0° |
| N56 | C58 | C61 | H611 | 43.6° | 60.1° |
| N56 | C58 | C61 | H612 | 77.5° | 60.0° |
| H56 | N56 | C58 | C61 | 12.0° | 0.0° |
| H56 | N56 | C58 | H581 | 108.4° | 120.0° |
| H56 | N56 | C58 | H582 | 132.0° | 120.0° |
| C61 | C58 | H581 | H582 | 120.3° | 120.0° |
| C58 | C61 | C64 | H611 | 118.8° | 120.0° |
| C58 | C61 | C64 | H612 | 120.0° | 120.0° |
| C58 | C61 | H611 | H612 | 119.2° | 120.1° |
| C58 | C61 | C64 | C67 | 69.9° | NaN° |
| C58 | C61 | C64 | H641 | 49.3° | 60.0° |
| C58 | C61 | C64 | H642 | 170.1° | 59.9° |
| H581 | C58 | C61 | C64 | 77.2° | 60.0° |
| H581 | C58 | C61 | H611 | 164.0° | 180.0° |
| H581 | C58 | C61 | H612 | 42.8° | 60.0° |
| H582 | C58 | C61 | C64 | 42.5° | 60.0° |
| H582 | C58 | C61 | H611 | 76.4° | 60.0° |
| H582 | C58 | C61 | H612 | 162.5° | 179.9° |
| C64 | C61 | H611 | H612 | 119.2° | 119.9° |
| C61 | C64 | C67 | H641 | 119.2° | 120.0° |
| C61 | C64 | C67 | H642 | 120.0° | 120.0° |
| C61 | C64 | H641 | H642 | 119.5° | 119.9° |
| C61 | C64 | C67 | H671 | 90.0° | 60.0° |
| C61 | C64 | C67 | H672 | 30.0° | 180.0° |
| C61 | C64 | C67 | H673 | 150.0° | 60.0° |
| H611 | C61 | C64 | C67 | 171.3° | 60.0° |
| H611 | C61 | C64 | H641 | 69.5° | 180.0° |
| H611 | C61 | C64 | H642 | 51.3° | 60.1° |
| H612 | C61 | C64 | C67 | 50.1° | 60.0° |
| H612 | C61 | C64 | H641 | 169.3° | 60.1° |
| H612 | C61 | C64 | H642 | 69.9° | 179.9° |
| C67 | C64 | H641 | H642 | 119.5° | 120.0° |
| C64 | C67 | H671 | H672 | 120.0° | 120.0° |
| C64 | C67 | H671 | H673 | 120.0° | 120.1° |
| C64 | C67 | H672 | H673 | 120.0° | 120.0° |
| H641 | C64 | C67 | H671 | 150.8° | 180.0° |
| H641 | C64 | C67 | H672 | 89.2° | 60.0° |
| H641 | C64 | C67 | H673 | 30.8° | 60.0° |
| H642 | C64 | C67 | H671 | 30.0° | 60.0° |
| H642 | C64 | C67 | H672 | 150.0° | 60.0° |
| H642 | C64 | C67 | H673 | 90.0° | 179.9° |
| H671 | C67 | H672 | H673 | 120.0° | 120.0° |
| H721 | C72 | H722 | H723 | 120.0° | 119.9° |
