1FM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | doub | 1.41Å | 1.42Å | Aromatic |
| C2 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C2 | C26 | sing | 1.47Å | 1.50Å | |
| C23 | C3 | sing | 1.47Å | 1.47Å | |
| C14 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C11 | doub | 1.39Å | 1.37Å | Aromatic |
| C11 | O46 | sing | 1.36Å | 1.38Å | |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| O48 | C15 | sing | 1.36Å | 1.41Å | |
| C15 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| O15 | C31 | sing | 1.46Å | 1.47Å | |
| O15 | C26 | sing | 1.35Å | 1.38Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C34 | C17 | sing | 1.51Å | 1.47Å | |
| C17 | C23 | doub | 1.33Å | 1.33Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C42 | C18 | sing | 1.51Å | 1.33Å | |
| C18 | C31 | sing | 1.53Å | 1.52Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.08Å | |
| O42 | C24 | sing | 1.43Å | 1.41Å | |
| C39 | C24 | sing | 1.53Å | 1.54Å | |
| C24 | C34 | sing | 1.53Å | 1.51Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | O38 | doub | 1.22Å | 1.23Å | |
| C31 | C62 | sing | 1.53Å | 1.50Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| O44 | C39 | sing | 1.43Å | 1.42Å | |
| C39 | C40 | sing | 1.51Å | 1.51Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C41 | C40 | sing | 1.46Å | 1.33Å | |
| C40 | O40 | doub | 1.21Å | 1.33Å | |
| C41 | C42 | doub | 1.33Å | 1.44Å | |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| O42 | HO42 | sing | 0.97Å | 0.95Å | |
| O44 | HO44 | sing | 0.97Å | 0.95Å | |
| O46 | HO46 | sing | 0.97Å | 0.95Å | |
| C59 | O48 | sing | 1.43Å | 1.42Å | |
| C59 | H59 | sing | 1.09Å | 1.10Å | |
| C59 | H59A | sing | 1.09Å | 1.10Å | |
| C59 | H59B | sing | 1.09Å | 1.10Å | |
| C62 | H62 | sing | 1.09Å | 1.10Å | |
| C62 | H62A | sing | 1.09Å | 1.10Å | |
| C62 | H62B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C11 | 118.7° | 119.8° |
| C3 | C2 | C26 | 125.0° | 118.6° |
| C2 | C3 | C23 | 120.6° | 119.2° |
| C2 | C3 | C14 | 118.8° | 119.6° |
| C11 | C2 | C26 | 116.3° | 121.5° |
| C2 | C11 | C16 | 120.6° | 119.6° |
| C2 | C11 | O46 | 120.6° | 120.2° |
| C2 | C26 | O15 | 113.2° | 122.4° |
| C2 | C26 | O38 | 122.2° | 118.8° |
| C23 | C3 | C14 | 120.5° | 121.2° |
| C3 | C23 | C17 | 126.0° | 121.4° |
| C3 | C23 | H23 | 116.9° | 119.3° |
| C3 | C14 | C15 | 121.5° | 119.9° |
| C3 | C14 | H14 | 119.2° | 120.0° |
| C16 | C11 | O46 | 118.8° | 120.2° |
| C11 | C16 | C15 | 120.6° | 120.4° |
| C11 | C16 | H16 | 119.7° | 119.8° |
| C11 | O46 | HO46 | 109.5° | 114.0° |
| C15 | C14 | H14 | 119.2° | 120.1° |
| C14 | C15 | O48 | 124.3° | 119.7° |
| C14 | C15 | C16 | 119.6° | 120.7° |
| O48 | C15 | C16 | 116.1° | 119.6° |
| C15 | O48 | C59 | 118.4° | 117.0° |
| C15 | C16 | H16 | 119.7° | 119.8° |
| C31 | O15 | C26 | 118.2° | 115.2° |
| O15 | C31 | C18 | 113.3° | 108.5° |
| O15 | C31 | C62 | 108.3° | 109.6° |
| O15 | C31 | H31 | 107.9° | 109.6° |
| O15 | C26 | O38 | 124.6° | 118.8° |
| C34 | C17 | C23 | 124.8° | 119.5° |
| C34 | C17 | H17 | 117.6° | 119.6° |
| C17 | C34 | C24 | 111.8° | 109.2° |
| C17 | C34 | H34 | 108.9° | 109.5° |
| C17 | C34 | H34A | 108.9° | 109.5° |
| C23 | C17 | H17 | 117.6° | 120.9° |
| C17 | C23 | H23 | 117.0° | 119.3° |
| C42 | C18 | C31 | 122.1° | 109.7° |
| C42 | C18 | H18 | 106.3° | 109.4° |
| C42 | C18 | H18A | 106.2° | 109.5° |
| C18 | C42 | C41 | 123.9° | 120.4° |
| C18 | C42 | H42 | 118.0° | 119.8° |
| C31 | C18 | H18 | 106.2° | 109.4° |
| C31 | C18 | H18A | 106.3° | 109.4° |
| C18 | C31 | C62 | 112.0° | 109.6° |
| C18 | C31 | H31 | 107.4° | 109.6° |
| H18 | C18 | H18A | 109.5° | 109.4° |
| O42 | C24 | C39 | 109.3° | 109.3° |
| O42 | C24 | C34 | 110.7° | 109.4° |
| O42 | C24 | H24 | 106.9° | 109.4° |
| C24 | O42 | HO42 | 109.5° | 114.0° |
| C39 | C24 | C34 | 117.9° | 110.0° |
| C39 | C24 | H24 | 105.5° | 109.4° |
| C24 | C39 | O44 | 112.4° | 109.5° |
| C24 | C39 | C40 | 112.7° | 109.6° |
| C24 | C39 | H39 | 106.0° | 109.4° |
| C34 | C24 | H24 | 105.8° | 109.3° |
| C24 | C34 | H34 | 108.9° | 109.5° |
| C24 | C34 | H34A | 108.9° | 109.5° |
| C62 | C31 | H31 | 107.6° | 109.8° |
| C31 | C62 | H62 | 109.5° | 109.4° |
| C31 | C62 | H62A | 109.5° | 109.4° |
| C31 | C62 | H62B | 109.5° | 109.5° |
| H34 | C34 | H34A | 109.5° | 109.6° |
| O44 | C39 | C40 | 111.8° | 109.4° |
| O44 | C39 | H39 | 107.3° | 109.4° |
| C39 | O44 | HO44 | 109.5° | 114.0° |
| C40 | C39 | H39 | 106.3° | 109.4° |
| C39 | C40 | C41 | 119.8° | 119.7° |
| C39 | C40 | O40 | 113.7° | 120.1° |
| C41 | C40 | O40 | 126.5° | 120.2° |
| C40 | C41 | C42 | 126.4° | 120.6° |
| C40 | C41 | H41 | 116.7° | 119.7° |
| C42 | C41 | H41 | 116.8° | 119.7° |
| C41 | C42 | H42 | 118.0° | 119.8° |
| O48 | C59 | H59 | 109.5° | 109.4° |
| O48 | C59 | H59A | 109.5° | 109.5° |
| O48 | C59 | H59B | 109.5° | 109.5° |
| H59 | C59 | H59A | 109.4° | 109.5° |
| H59 | C59 | H59B | 109.5° | 109.4° |
| H59A | C59 | H59B | 109.4° | 109.5° |
| H62 | C62 | H62A | 109.5° | 109.5° |
| H62 | C62 | H62B | 109.4° | 109.5° |
| H62A | C62 | H62B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C11 | C26 | 179.7° | 179.0° |
| C2 | C3 | C23 | C14 | 177.5° | 178.9° |
| C3 | C2 | C11 | C16 | 1.3° | 0.5° |
| C3 | C2 | C11 | O46 | 179.6° | 179.4° |
| C2 | C3 | C14 | C15 | 1.2° | 1.0° |
| C2 | C3 | C14 | H14 | 178.8° | 178.9° |
| C3 | C2 | C26 | O15 | 3.1° | 174.1° |
| C2 | C3 | C23 | C17 | 177.6° | 166.6° |
| C2 | C3 | C23 | H23 | 2.4° | 13.7° |
| C3 | C2 | C26 | O38 | 179.6° | 5.8° |
| C11 | C2 | C3 | C23 | 179.2° | 177.7° |
| C11 | C2 | C3 | C14 | 1.7° | 1.2° |
| C2 | C11 | C16 | O46 | 179.2° | 179.9° |
| C2 | C11 | C16 | C15 | 0.3° | 0.5° |
| C11 | C2 | C26 | O15 | 177.2° | 5.0° |
| C2 | C11 | C16 | H16 | 179.7° | 179.5° |
| C11 | C2 | C26 | O38 | 0.1° | 175.1° |
| C2 | C11 | O46 | HO46 | 0.1° | 90.1° |
| C26 | C2 | C3 | C23 | 1.1° | 3.2° |
| C26 | C2 | C3 | C14 | 178.6° | 177.8° |
| C26 | C2 | C11 | C16 | 179.0° | 178.6° |
| C26 | C2 | C11 | O46 | 0.1° | 1.5° |
| C2 | C26 | O15 | C31 | 171.4° | 170.7° |
| C2 | C26 | O15 | O38 | 177.2° | 179.9° |
| C23 | C3 | C14 | C15 | 178.7° | 178.0° |
| C23 | C3 | C14 | H14 | 1.3° | 2.1° |
| C3 | C23 | C17 | C34 | 176.4° | 179.0° |
| C3 | C23 | C17 | H23 | 180.0° | 179.7° |
| C3 | C23 | C17 | H17 | 3.6° | 0.1° |
| C3 | C14 | C15 | H14 | 180.0° | 179.9° |
| C3 | C14 | C15 | O48 | 179.2° | 180.0° |
| C3 | C14 | C15 | C16 | 0.1° | 0.0° |
| C14 | C3 | C23 | C17 | 0.1° | 14.4° |
| C14 | C3 | C23 | H23 | 179.9° | 165.3° |
| C11 | C16 | C15 | C14 | 0.3° | 0.8° |
| C11 | C16 | C15 | O48 | 179.7° | 179.2° |
| C11 | C16 | C15 | H16 | 180.0° | 179.9° |
| C16 | C11 | O46 | HO46 | 179.1° | 90.0° |
| O46 | C11 | C16 | C15 | 179.4° | 179.6° |
| O46 | C11 | C16 | H16 | 0.6° | 0.4° |
| C14 | C15 | O48 | C16 | 179.4° | 180.0° |
| C14 | C15 | C16 | H16 | 179.7° | 179.3° |
| C14 | C15 | O48 | C59 | 3.5° | 180.0° |
| H14 | C14 | C15 | O48 | 0.8° | 0.1° |
| H14 | C14 | C15 | C16 | 179.9° | 179.9° |
| O48 | C15 | C16 | H16 | 0.2° | 0.7° |
| C15 | O48 | C59 | H59 | 180.0° | 60.0° |
| C15 | O48 | C59 | H59A | 60.0° | 180.0° |
| C15 | O48 | C59 | H59B | 60.0° | 60.0° |
| C16 | C15 | O48 | C59 | 175.9° | 0.0° |
| O15 | C31 | C18 | C42 | 67.1° | 132.1° |
| O15 | C31 | C18 | C62 | 123.0° | 119.7° |
| O15 | C31 | C18 | H31 | 119.1° | 119.7° |
| O15 | C31 | C18 | H18 | 54.7° | 12.1° |
| O15 | C31 | C18 | H18A | 171.2° | 107.8° |
| C31 | O15 | C26 | O38 | 5.8° | 9.2° |
| O15 | C31 | C62 | H31 | 116.4° | 120.5° |
| O15 | C31 | C62 | H62 | 180.0° | 60.0° |
| O15 | C31 | C62 | H62A | 60.0° | 180.0° |
| O15 | C31 | C62 | H62B | 60.0° | 60.0° |
| C26 | O15 | C31 | C18 | 157.8° | 40.5° |
| C26 | O15 | C31 | C62 | 77.2° | 79.2° |
| C26 | O15 | C31 | H31 | 39.0° | 160.2° |
| C34 | C17 | C23 | H17 | 180.0° | 179.1° |
| C34 | C17 | C23 | H23 | 3.6° | 1.3° |
| C17 | C34 | C24 | O42 | 86.5° | 139.7° |
| C17 | C34 | C24 | C39 | 146.7° | 100.2° |
| C17 | C34 | C24 | H34 | 120.3° | 119.9° |
| C17 | C34 | C24 | H34A | 120.4° | 119.9° |
| C17 | C34 | C24 | H24 | 29.0° | 20.0° |
| C17 | C34 | H34 | H34A | 119.0° | 120.1° |
| C23 | C17 | C34 | C24 | 80.2° | 58.7° |
| C23 | C17 | C34 | H34 | 40.1° | 61.2° |
| C23 | C17 | C34 | H34A | 159.4° | 178.6° |
| H17 | C17 | C23 | H23 | 176.4° | 179.6° |
| H17 | C17 | C34 | C24 | 99.8° | 120.5° |
| H17 | C17 | C34 | H34 | 139.9° | 119.6° |
| H17 | C17 | C34 | H34A | 20.6° | 0.5° |
| C42 | C18 | C31 | H18 | 121.7° | 120.1° |
| C42 | C18 | C31 | H18A | 121.7° | 120.1° |
| C42 | C18 | H18 | H18A | 114.3° | 119.9° |
| C42 | C18 | C31 | C62 | 170.0° | 12.4° |
| C42 | C18 | C31 | H31 | 52.1° | 108.1° |
| C18 | C42 | C41 | C40 | 5.3° | 0.1° |
| C18 | C42 | C41 | H42 | 180.0° | 179.8° |
| C18 | C42 | C41 | H41 | 174.7° | 179.3° |
| C31 | C18 | H18 | H18A | 114.3° | 119.9° |
| C18 | C31 | C62 | H31 | 117.8° | 120.5° |
| C31 | C18 | C42 | C41 | 133.5° | 119.7° |
| C31 | C18 | C42 | H42 | 46.5° | 60.5° |
| C18 | C31 | C62 | H62 | 54.2° | 59.1° |
| C18 | C31 | C62 | H62A | 174.2° | 60.9° |
| C18 | C31 | C62 | H62B | 65.8° | 179.0° |
| H18 | C18 | C31 | C62 | 68.3° | 107.6° |
| H18 | C18 | C31 | H31 | 173.8° | 131.8° |
| H18 | C18 | C42 | C41 | 11.7° | 0.4° |
| H18 | C18 | C42 | H42 | 168.3° | 179.4° |
| H18A | C18 | C31 | C62 | 48.2° | 132.5° |
| H18A | C18 | C31 | H31 | 69.6° | 11.9° |
| H18A | C18 | C42 | C41 | 104.8° | 120.3° |
| H18A | C18 | C42 | H42 | 75.2° | 59.5° |
| O42 | C24 | C39 | C34 | 127.5° | 120.1° |
| O42 | C24 | C39 | H24 | 114.7° | 119.8° |
| O42 | C24 | C34 | H24 | 115.5° | 119.8° |
| O42 | C24 | C34 | H34 | 153.2° | 100.4° |
| O42 | C24 | C34 | H34A | 33.9° | 19.8° |
| O42 | C24 | C39 | O44 | 76.0° | 108.6° |
| O42 | C24 | C39 | C40 | 156.7° | 131.3° |
| O42 | C24 | C39 | H39 | 40.9° | 11.4° |
| C39 | C24 | C34 | H24 | 117.7° | 120.2° |
| C39 | C24 | C34 | H34 | 26.3° | 19.7° |
| C39 | C24 | C34 | H34A | 93.0° | 139.9° |
| C24 | C39 | O44 | C40 | 127.8° | 120.2° |
| C24 | C39 | O44 | H39 | 116.1° | 120.0° |
| C24 | C39 | C40 | H39 | 115.6° | 120.0° |
| C24 | C39 | C40 | C41 | 68.5° | 161.8° |
| C24 | C39 | C40 | O40 | 111.7° | 18.2° |
| C39 | C24 | O42 | HO42 | 180.0° | 179.6° |
| C24 | C39 | O44 | HO44 | 119.6° | 179.9° |
| C24 | C34 | H34 | H34A | 119.0° | 120.2° |
| C34 | C24 | C39 | O44 | 51.6° | 11.5° |
| C34 | C24 | C39 | C40 | 75.8° | 108.6° |
| C34 | C24 | C39 | H39 | 168.4° | 131.5° |
| C34 | C24 | O42 | HO42 | 48.5° | 60.0° |
| H24 | C24 | C34 | H34 | 91.4° | 139.8° |
| H24 | C24 | C34 | H34A | 149.4° | 99.9° |
| H24 | C24 | C39 | O44 | 169.4° | 131.6° |
| H24 | C24 | C39 | C40 | 42.0° | 11.6° |
| H24 | C24 | C39 | H39 | 73.7° | 108.4° |
| H24 | C24 | O42 | HO42 | 66.3° | 59.8° |
| C31 | C62 | H62 | H62A | 120.0° | 119.9° |
| C31 | C62 | H62 | H62B | 120.0° | 120.0° |
| C31 | C62 | H62A | H62B | 120.0° | 120.0° |
| H31 | C31 | C62 | H62 | 63.6° | 179.5° |
| H31 | C31 | C62 | H62A | 56.4° | 59.6° |
| H31 | C31 | C62 | H62B | 176.4° | 60.5° |
| O44 | C39 | C40 | H39 | 116.7° | 119.9° |
| O44 | C39 | C40 | C41 | 163.9° | 78.1° |
| O44 | C39 | C40 | O40 | 16.0° | 101.9° |
| C39 | C40 | C41 | O40 | 179.8° | 179.9° |
| C39 | C40 | C41 | C42 | 138.3° | 178.8° |
| C39 | C40 | C41 | H41 | 41.7° | 1.8° |
| C40 | C39 | O44 | HO44 | 8.2° | 59.9° |
| H39 | C39 | C40 | C41 | 47.1° | 41.8° |
| H39 | C39 | C40 | O40 | 132.7° | 138.2° |
| H39 | C39 | O44 | HO44 | 124.3° | 60.0° |
| C40 | C41 | C42 | H41 | 180.0° | 179.4° |
| C40 | C41 | C42 | H42 | 174.7° | 179.9° |
| O40 | C40 | C41 | C42 | 41.9° | 1.1° |
| O40 | C40 | C41 | H41 | 138.1° | 178.2° |
| H41 | C41 | C42 | H42 | 5.3° | 0.5° |
| O48 | C59 | H59 | H59A | 120.0° | 120.0° |
| O48 | C59 | H59 | H59B | 120.0° | 120.0° |
| O48 | C59 | H59A | H59B | 120.0° | 120.0° |
| H59 | C59 | H59A | H59B | 120.0° | 120.0° |
| H62 | C62 | H62A | H62B | 120.0° | 120.1° |
