M8F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C1 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.51Å | 1.49Å | |
| C1 | N1 | sing | 1.47Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| N1 | HN1A | sing | 1.01Å | 1.00Å | |
| O4 | C2 | doub | 1.21Å | 1.22Å | |
| C2 | O3 | sing | 1.34Å | 1.28Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C7 | C6 | sing | 1.53Å | 1.54Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| N10 | C8 | sing | 1.35Å | 1.33Å | |
| C8 | O9 | doub | 1.21Å | 1.26Å | |
| N10 | C11 | sing | 1.46Å | 1.50Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| C12 | C11 | sing | 1.53Å | 1.56Å | |
| C14 | C11 | sing | 1.51Å | 1.55Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| S13 | C12 | sing | 1.81Å | 1.84Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| S13 | HS13 | sing | 1.34Å | 1.30Å | |
| O15 | C14 | doub | 1.21Å | 1.25Å | |
| N16 | C14 | sing | 1.35Å | 1.32Å | |
| C17 | N16 | sing | 1.47Å | 1.48Å | |
| N16 | HN16 | sing | 0.97Å | 1.00Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C22 | sing | 1.51Å | 1.49Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| S20 | C19 | sing | 1.81Å | 1.84Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C21 | S20 | sing | 1.81Å | 1.77Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| O24 | C22 | doub | 1.21Å | 1.25Å | |
| C22 | O23 | sing | 1.34Å | 1.23Å | |
| O23 | HO23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C1 | C2 | 110.4° | 109.5° |
| C5 | C1 | N1 | 111.5° | 109.5° |
| C5 | C1 | H1 | 107.6° | 109.4° |
| C1 | C5 | C6 | 113.9° | 109.5° |
| C1 | C5 | H5 | 108.0° | 109.5° |
| C1 | C5 | H5A | 107.0° | 109.5° |
| C2 | C1 | N1 | 110.0° | 109.5° |
| C2 | C1 | H1 | 109.1° | 109.4° |
| C1 | C2 | O4 | 120.2° | 119.9° |
| C1 | C2 | O3 | 114.2° | 120.0° |
| N1 | C1 | H1 | 108.0° | 109.5° |
| C1 | N1 | HN1 | 109.5° | 110.9° |
| C1 | N1 | HN1A | 109.5° | 111.0° |
| HN1 | N1 | HN1A | 109.4° | 111.0° |
| O4 | C2 | O3 | 125.5° | 120.0° |
| C2 | O3 | HO3 | 109.5° | 117.0° |
| C6 | C5 | H5 | 108.0° | 109.4° |
| C6 | C5 | H5A | 107.0° | 109.5° |
| C5 | C6 | C7 | 108.4° | 109.5° |
| C5 | C6 | H6 | 109.8° | 109.5° |
| C5 | C6 | H6A | 110.1° | 109.5° |
| H5 | C5 | H5A | 113.0° | 109.5° |
| C7 | C6 | H6 | 109.8° | 109.4° |
| C7 | C6 | H6A | 110.1° | 109.4° |
| C6 | C7 | C8 | 106.9° | 109.5° |
| C6 | C7 | H7 | 110.3° | 109.5° |
| C6 | C7 | H7A | 110.9° | 109.5° |
| H6 | C6 | H6A | 108.6° | 109.5° |
| C8 | C7 | H7 | 110.4° | 109.4° |
| C8 | C7 | H7A | 110.9° | 109.5° |
| C7 | C8 | N10 | 117.3° | 120.0° |
| C7 | C8 | O9 | 120.1° | 120.0° |
| H7 | C7 | H7A | 107.5° | 109.5° |
| N10 | C8 | O9 | 122.5° | 120.0° |
| C8 | N10 | C11 | 123.3° | 120.0° |
| C8 | N10 | HN10 | 118.3° | 119.9° |
| C11 | N10 | HN10 | 118.4° | 120.0° |
| N10 | C11 | C12 | 105.6° | 109.5° |
| N10 | C11 | C14 | 109.3° | 109.5° |
| N10 | C11 | H11 | 111.8° | 109.4° |
| C12 | C11 | C14 | 108.7° | 109.5° |
| C12 | C11 | H11 | 112.5° | 109.5° |
| C11 | C12 | S13 | 111.3° | 109.4° |
| C11 | C12 | H12 | 108.9° | 109.5° |
| C11 | C12 | H12A | 108.5° | 109.5° |
| C14 | C11 | H11 | 108.9° | 109.5° |
| C11 | C14 | O15 | 123.2° | 120.0° |
| C11 | C14 | N16 | 115.2° | 120.0° |
| S13 | C12 | H12 | 108.9° | 109.5° |
| S13 | C12 | H12A | 108.5° | 109.5° |
| C12 | S13 | HS13 | 109.5° | 103.0° |
| H12 | C12 | H12A | 110.9° | 109.5° |
| O15 | C14 | N16 | 121.3° | 120.0° |
| C14 | N16 | C17 | 120.4° | 120.0° |
| C14 | N16 | HN16 | 119.8° | 120.0° |
| C17 | N16 | HN16 | 119.8° | 120.0° |
| N16 | C17 | C18 | 112.4° | 109.5° |
| N16 | C17 | C22 | 112.5° | 109.5° |
| N16 | C17 | H17 | 105.7° | 109.5° |
| C18 | C17 | C22 | 110.7° | 109.4° |
| C18 | C17 | H17 | 107.6° | 109.4° |
| C17 | C18 | C19 | 114.8° | 109.5° |
| C17 | C18 | H18 | 107.7° | 109.5° |
| C17 | C18 | H18A | 106.5° | 109.5° |
| C22 | C17 | H17 | 107.6° | 109.5° |
| C17 | C22 | O24 | 120.1° | 120.0° |
| C17 | C22 | O23 | 115.7° | 120.0° |
| C19 | C18 | H18 | 107.7° | 109.5° |
| C19 | C18 | H18A | 106.5° | 109.5° |
| C18 | C19 | S20 | 115.5° | 109.5° |
| C18 | C19 | H19 | 107.5° | 109.4° |
| C18 | C19 | H19A | 106.1° | 109.5° |
| H18 | C18 | H18A | 113.7° | 109.5° |
| S20 | C19 | H19 | 107.5° | 109.5° |
| S20 | C19 | H19A | 106.1° | 109.5° |
| C19 | S20 | C21 | 93.3° | 103.0° |
| H19 | C19 | H19A | 114.3° | 109.5° |
| S20 | C21 | H21 | 109.5° | 109.5° |
| S20 | C21 | H21A | 109.5° | 109.5° |
| S20 | C21 | H21B | 109.4° | 109.5° |
| H21 | C21 | H21A | 109.5° | 109.5° |
| H21 | C21 | H21B | 109.4° | 109.5° |
| H21A | C21 | H21B | 109.5° | 109.5° |
| O24 | C22 | O23 | 124.2° | 120.0° |
| C22 | O23 | HO23 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C1 | C2 | N1 | 123.5° | 120.0° |
| C5 | C1 | C2 | H1 | 118.1° | 119.9° |
| C5 | C1 | N1 | H1 | 118.1° | 120.0° |
| C5 | C1 | N1 | HN1 | 155.6° | 176.0° |
| C5 | C1 | N1 | HN1A | 84.5° | 60.1° |
| C5 | C1 | C2 | O4 | 61.6° | 100.0° |
| C5 | C1 | C2 | O3 | 114.3° | 80.0° |
| C1 | C5 | C6 | H5 | 120.0° | 119.9° |
| C1 | C5 | C6 | H5A | 118.1° | 120.1° |
| C1 | C5 | H5 | H5A | 118.2° | 120.0° |
| C1 | C5 | C6 | C7 | 175.9° | 180.0° |
| C1 | C5 | C6 | H6 | 64.1° | 60.0° |
| C1 | C5 | C6 | H6A | 55.5° | 60.1° |
| C2 | C1 | N1 | H1 | 119.0° | 120.0° |
| C2 | C1 | N1 | HN1 | 81.5° | 63.9° |
| C2 | C1 | N1 | HN1A | 38.4° | 60.0° |
| C1 | C2 | O4 | O3 | 175.4° | 180.0° |
| C1 | C2 | O3 | HO3 | 175.6° | 180.0° |
| C2 | C1 | C5 | C6 | 175.6° | 175.0° |
| C2 | C1 | C5 | H5 | 64.4° | 65.1° |
| C2 | C1 | C5 | H5A | 57.5° | 54.9° |
| C1 | N1 | HN1 | HN1A | 120.0° | 123.9° |
| N1 | C1 | C2 | O4 | 174.9° | 20.0° |
| N1 | C1 | C2 | O3 | 9.2° | 160.0° |
| N1 | C1 | C5 | C6 | 61.7° | 64.9° |
| N1 | C1 | C5 | H5 | 58.3° | 55.0° |
| N1 | C1 | C5 | H5A | 179.8° | 175.0° |
| H1 | C1 | N1 | HN1 | 37.5° | 56.1° |
| H1 | C1 | N1 | HN1A | 157.5° | 180.0° |
| H1 | C1 | C2 | O4 | 56.5° | 140.0° |
| H1 | C1 | C2 | O3 | 127.6° | 40.0° |
| H1 | C1 | C5 | C6 | 56.6° | 55.1° |
| H1 | C1 | C5 | H5 | 176.6° | 175.0° |
| H1 | C1 | C5 | H5A | 61.5° | 65.0° |
| O4 | C2 | O3 | HO3 | 0.0° | 0.0° |
| C6 | C5 | H5 | H5A | 118.2° | 120.0° |
| C5 | C6 | C7 | H6 | 120.0° | 120.1° |
| C5 | C6 | C7 | H6A | 120.4° | 120.0° |
| C5 | C6 | H6 | H6A | 120.5° | 120.0° |
| C5 | C6 | C7 | C8 | 178.7° | 179.9° |
| C5 | C6 | C7 | H7 | 58.7° | 60.0° |
| C5 | C6 | C7 | H7A | 60.3° | 60.0° |
| H5 | C5 | C6 | C7 | 55.9° | 60.0° |
| H5 | C5 | C6 | H6 | 175.9° | 60.0° |
| H5 | C5 | C6 | H6A | 64.5° | 180.0° |
| H5A | C5 | C6 | C7 | 66.0° | 60.0° |
| H5A | C5 | C6 | H6 | 54.0° | 180.0° |
| H5A | C5 | C6 | H6A | 173.6° | 60.0° |
| C7 | C6 | H6 | H6A | 120.4° | 119.9° |
| C6 | C7 | C8 | H7 | 120.0° | 120.0° |
| C6 | C7 | C8 | H7A | 121.0° | 120.0° |
| C6 | C7 | H7 | H7A | 121.0° | 120.0° |
| C6 | C7 | C8 | N10 | 109.6° | 179.7° |
| C6 | C7 | C8 | O9 | 73.5° | 0.0° |
| H6 | C6 | C7 | C8 | 61.3° | 60.0° |
| H6 | C6 | C7 | H7 | 178.7° | 180.0° |
| H6 | C6 | C7 | H7A | 59.7° | 60.0° |
| H6A | C6 | C7 | C8 | 58.3° | 60.0° |
| H6A | C6 | C7 | H7 | 61.7° | 60.0° |
| H6A | C6 | C7 | H7A | 179.3° | 180.0° |
| C8 | C7 | H7 | H7A | 121.1° | 120.0° |
| C7 | C8 | N10 | O9 | 176.7° | 179.8° |
| C7 | C8 | N10 | C11 | 179.3° | 179.8° |
| C7 | C8 | N10 | HN10 | 0.7° | 0.2° |
| H7 | C7 | C8 | N10 | 130.4° | 59.7° |
| H7 | C7 | C8 | O9 | 46.4° | 120.0° |
| H7A | C7 | C8 | N10 | 11.4° | 60.2° |
| H7A | C7 | C8 | O9 | 165.4° | 120.0° |
| C8 | N10 | C11 | HN10 | 180.0° | 180.0° |
| C8 | N10 | C11 | C12 | 130.4° | 85.0° |
| C8 | N10 | C11 | C14 | 112.9° | 155.0° |
| C8 | N10 | C11 | H11 | 7.8° | 35.0° |
| O9 | C8 | N10 | C11 | 2.6° | 0.0° |
| O9 | C8 | N10 | HN10 | 177.4° | 180.0° |
| N10 | C11 | C12 | C14 | 117.2° | 120.0° |
| N10 | C11 | C12 | H11 | 122.2° | 120.0° |
| N10 | C11 | C14 | H11 | 122.4° | 119.9° |
| N10 | C11 | C12 | S13 | 53.3° | 60.0° |
| N10 | C11 | C12 | H12 | 173.3° | 60.0° |
| N10 | C11 | C12 | H12A | 65.9° | 180.0° |
| N10 | C11 | C14 | O15 | 7.5° | 0.0° |
| N10 | C11 | C14 | N16 | 166.5° | 180.0° |
| HN10 | N10 | C11 | C12 | 49.6° | 95.0° |
| HN10 | N10 | C11 | C14 | 67.1° | 25.0° |
| HN10 | N10 | C11 | H11 | 172.2° | 145.0° |
| C12 | C11 | C14 | H11 | 122.8° | 120.0° |
| C11 | C12 | S13 | H12 | 120.0° | 120.0° |
| C11 | C12 | S13 | H12A | 119.2° | 120.0° |
| C11 | C12 | H12 | H12A | 119.2° | 120.0° |
| C11 | C12 | S13 | HS13 | 154.3° | 180.0° |
| C12 | C11 | C14 | O15 | 122.2° | 120.0° |
| C12 | C11 | C14 | N16 | 51.7° | 60.0° |
| C14 | C11 | C12 | S13 | 63.8° | 180.0° |
| C14 | C11 | C12 | H12 | 56.2° | 60.0° |
| C14 | C11 | C12 | H12A | 176.9° | 60.0° |
| C11 | C14 | O15 | N16 | 173.6° | 179.9° |
| C11 | C14 | N16 | C17 | 179.1° | 180.0° |
| C11 | C14 | N16 | HN16 | 0.9° | 0.1° |
| H11 | C11 | C12 | S13 | 175.6° | 60.0° |
| H11 | C11 | C12 | H12 | 64.5° | 180.0° |
| H11 | C11 | C12 | H12A | 56.3° | 60.0° |
| H11 | C11 | C14 | O15 | 114.9° | 120.0° |
| H11 | C11 | C14 | N16 | 71.1° | 60.1° |
| S13 | C12 | H12 | H12A | 119.3° | 120.0° |
| H12 | C12 | S13 | HS13 | 85.7° | 60.0° |
| H12A | C12 | S13 | HS13 | 35.1° | 60.0° |
| O15 | C14 | N16 | C17 | 5.0° | 0.0° |
| O15 | C14 | N16 | HN16 | 175.0° | 180.0° |
| C14 | N16 | C17 | HN16 | 180.0° | 180.0° |
| C14 | N16 | C17 | C18 | 87.4° | 155.0° |
| C14 | N16 | C17 | C22 | 146.8° | 85.0° |
| C14 | N16 | C17 | H17 | 29.8° | 35.0° |
| N16 | C17 | C18 | C22 | 126.8° | 120.0° |
| N16 | C17 | C18 | H17 | 115.9° | 120.0° |
| N16 | C17 | C22 | H17 | 115.9° | 120.0° |
| N16 | C17 | C18 | C19 | 7.2° | 65.0° |
| N16 | C17 | C18 | H18 | 112.9° | 175.0° |
| N16 | C17 | C18 | H18A | 124.8° | 55.0° |
| N16 | C17 | C22 | O24 | 160.9° | 0.0° |
| N16 | C17 | C22 | O23 | 19.2° | 180.0° |
| HN16 | N16 | C17 | C18 | 92.7° | 25.0° |
| HN16 | N16 | C17 | C22 | 33.1° | 95.0° |
| HN16 | N16 | C17 | H17 | 150.2° | 145.0° |
| C18 | C17 | C22 | H17 | 117.3° | 120.0° |
| C17 | C18 | C19 | H18 | 120.0° | 120.0° |
| C17 | C18 | C19 | H18A | 117.6° | 120.0° |
| C17 | C18 | H18 | H18A | 117.8° | 120.0° |
| C17 | C18 | C19 | S20 | 66.9° | 180.0° |
| C17 | C18 | C19 | H19 | 53.1° | 59.9° |
| C17 | C18 | C19 | H19A | 175.9° | 60.0° |
| C18 | C17 | C22 | O24 | 34.2° | 120.0° |
| C18 | C17 | C22 | O23 | 145.9° | 60.0° |
| C22 | C17 | C18 | C19 | 119.6° | 175.0° |
| C22 | C17 | C18 | H18 | 120.4° | 55.0° |
| C22 | C17 | C18 | H18A | 2.0° | 65.0° |
| C17 | C22 | O24 | O23 | 179.8° | 180.0° |
| C17 | C22 | O23 | HO23 | 179.9° | 180.0° |
| H17 | C17 | C18 | C19 | 123.1° | 55.0° |
| H17 | C17 | C18 | H18 | 3.1° | 65.0° |
| H17 | C17 | C18 | H18A | 119.3° | 175.0° |
| H17 | C17 | C22 | O24 | 83.1° | 120.0° |
| H17 | C17 | C22 | O23 | 96.7° | 60.0° |
| C19 | C18 | H18 | H18A | 117.8° | 120.0° |
| C18 | C19 | S20 | H19 | 120.0° | 120.0° |
| C18 | C19 | S20 | H19A | 117.3° | 120.0° |
| C18 | C19 | H19 | H19A | 117.5° | 119.9° |
| C18 | C19 | S20 | C21 | 78.4° | 180.0° |
| H18 | C18 | C19 | S20 | 173.1° | 60.0° |
| H18 | C18 | C19 | H19 | 66.9° | 180.0° |
| H18 | C18 | C19 | H19A | 55.9° | 60.0° |
| H18A | C18 | C19 | S20 | 50.8° | 60.0° |
| H18A | C18 | C19 | H19 | 170.7° | 60.1° |
| H18A | C18 | C19 | H19A | 66.5° | 180.0° |
| S20 | C19 | H19 | H19A | 117.5° | 120.0° |
| C19 | S20 | C21 | H21 | 103.2° | 60.0° |
| C19 | S20 | C21 | H21A | 136.7° | 60.0° |
| C19 | S20 | C21 | H21B | 16.7° | 180.0° |
| H19 | C19 | S20 | C21 | 161.6° | 60.0° |
| H19A | C19 | S20 | C21 | 38.9° | 60.0° |
| S20 | C21 | H21 | H21A | 120.0° | 120.0° |
| S20 | C21 | H21 | H21B | 120.0° | 120.0° |
| S20 | C21 | H21A | H21B | 120.0° | 120.0° |
| H21 | C21 | H21A | H21B | 120.0° | 120.0° |
| O24 | C22 | O23 | HO23 | 0.0° | 0.0° |
