YAM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N30 | C35 | sing | 1.46Å | 1.47Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å | |
| S31 | C34 | sing | 1.81Å | 1.82Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C34 | H34B | sing | 1.09Å | 1.10Å | |
| C3 | N2 | doub | 1.33Å | 1.32Å | Aromatic |
| N2 | C7 | sing | 1.32Å | 1.32Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C6 | C8 | sing | 1.51Å | 1.52Å | |
| C17 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.50Å | |
| C13 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| N1 | C20 | doub | 1.32Å | 1.33Å | Aromatic |
| C20 | N30 | sing | 1.39Å | 1.40Å | |
| N25 | C21 | sing | 1.40Å | 1.39Å | |
| C22 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| F28 | C8 | sing | 1.40Å | 1.39Å | |
| C8 | F27 | sing | 1.40Å | 1.39Å | |
| C8 | F29 | sing | 1.40Å | 1.39Å | |
| C18 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | N1 | sing | 1.32Å | 1.33Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| O33 | S31 | doub | 1.42Å | 1.42Å | |
| N30 | S31 | sing | 1.66Å | 1.65Å | |
| S31 | O32 | doub | 1.42Å | 1.42Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | N10 | sing | 1.46Å | 1.47Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C5 | N10 | sing | 1.39Å | 1.38Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| N4 | C5 | doub | 1.33Å | 1.33Å | Aromatic |
| N4 | C3 | sing | 1.32Å | 1.32Å | Aromatic |
| N9 | C3 | sing | 1.39Å | 1.38Å | |
| C11 | N9 | sing | 1.40Å | 1.40Å | |
| N9 | HN9 | sing | 0.97Å | 1.00Å | |
| C14 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C14 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | C22 | sing | 1.51Å | 1.51Å | |
| C24 | C23 | sing | 1.51Å | 1.51Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | N25 | sing | 1.34Å | 1.34Å | |
| N25 | HN25 | sing | 0.97Å | 1.00Å | |
| O26 | C24 | doub | 1.21Å | 1.22Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N30 | C35 | H35 | 109.5° | 109.5° |
| N30 | C35 | H35A | 109.4° | 109.5° |
| N30 | C35 | H35B | 109.5° | 109.6° |
| C35 | N30 | C20 | 119.5° | 120.0° |
| C35 | N30 | S31 | 119.2° | 120.0° |
| H35 | C35 | H35A | 109.5° | 109.4° |
| H35 | C35 | H35B | 109.4° | 109.5° |
| H35A | C35 | H35B | 109.5° | 109.5° |
| S31 | C34 | H34 | 109.5° | 109.5° |
| S31 | C34 | H34A | 109.5° | 109.5° |
| S31 | C34 | H34B | 109.4° | 109.5° |
| C34 | S31 | O33 | 111.1° | 110.5° |
| C34 | S31 | N30 | 102.0° | 104.5° |
| C34 | S31 | O32 | 111.5° | 110.5° |
| H34 | C34 | H34A | 109.5° | 109.4° |
| H34 | C34 | H34B | 109.4° | 109.5° |
| H34A | C34 | H34B | 109.5° | 109.4° |
| C3 | N2 | C7 | 121.0° | 120.9° |
| N2 | C3 | N4 | 121.3° | 121.7° |
| N2 | C3 | N9 | 116.1° | 119.1° |
| N2 | C7 | C6 | 120.5° | 119.3° |
| N2 | C7 | H7 | 119.7° | 120.3° |
| C6 | C7 | H7 | 119.7° | 120.4° |
| C7 | C6 | C5 | 117.1° | 118.5° |
| C7 | C6 | C8 | 117.6° | 120.7° |
| C5 | C6 | C8 | 125.2° | 120.8° |
| C6 | C5 | N10 | 123.1° | 120.5° |
| C6 | C5 | N4 | 118.9° | 119.0° |
| C6 | C8 | F28 | 112.0° | 109.5° |
| C6 | C8 | F27 | 109.0° | 109.5° |
| C6 | C8 | F29 | 111.1° | 109.5° |
| C17 | C13 | C12 | 119.3° | 120.4° |
| C17 | C13 | C20 | 119.1° | 119.1° |
| C13 | C17 | C18 | 119.0° | 118.5° |
| C13 | C17 | H17 | 120.5° | 120.8° |
| C12 | C13 | C20 | 121.5° | 120.5° |
| C13 | C12 | N10 | 110.4° | 109.5° |
| C13 | C12 | H12 | 109.2° | 109.5° |
| C13 | C12 | H12A | 109.0° | 109.5° |
| C13 | C20 | N1 | 120.1° | 120.6° |
| C13 | C20 | N30 | 121.3° | 119.7° |
| N1 | C20 | N30 | 118.5° | 119.7° |
| C20 | N1 | C19 | 121.6° | 121.6° |
| C20 | N30 | S31 | 120.7° | 120.0° |
| N25 | C21 | C22 | 109.8° | 110.2° |
| N25 | C21 | C15 | 131.0° | 130.7° |
| C21 | N25 | C24 | 112.4° | 112.2° |
| C21 | N25 | HN25 | 123.8° | 124.0° |
| C22 | C21 | C15 | 119.3° | 119.1° |
| C21 | C22 | C14 | 120.9° | 120.9° |
| C21 | C22 | C23 | 106.8° | 106.4° |
| C21 | C15 | C16 | 119.9° | 120.2° |
| C21 | C15 | H15 | 120.0° | 119.9° |
| F28 | C8 | F27 | 106.3° | 109.4° |
| F28 | C8 | F29 | 109.2° | 109.5° |
| F27 | C8 | F29 | 109.1° | 109.5° |
| C17 | C18 | C19 | 119.2° | 119.3° |
| C17 | C18 | H18 | 120.4° | 120.3° |
| C18 | C17 | H17 | 120.5° | 120.8° |
| C19 | C18 | H18 | 120.4° | 120.3° |
| C18 | C19 | N1 | 120.9° | 120.9° |
| C18 | C19 | H19 | 119.5° | 119.6° |
| C15 | C16 | C11 | 120.3° | 120.3° |
| C15 | C16 | H16 | 119.8° | 119.9° |
| C16 | C15 | H15 | 120.1° | 119.8° |
| C11 | C16 | H16 | 119.9° | 119.9° |
| C16 | C11 | N9 | 123.2° | 120.1° |
| C16 | C11 | C14 | 119.6° | 119.7° |
| N1 | C19 | H19 | 119.6° | 119.5° |
| O33 | S31 | N30 | 104.1° | 104.3° |
| O33 | S31 | O32 | 122.7° | 121.1° |
| N30 | S31 | O32 | 102.6° | 104.2° |
| N10 | C12 | H12 | 109.2° | 109.4° |
| N10 | C12 | H12A | 109.0° | 109.5° |
| C12 | N10 | C5 | 119.0° | 120.0° |
| C12 | N10 | HN10 | 106.4° | 120.0° |
| H12 | C12 | H12A | 110.2° | 109.4° |
| C5 | N10 | HN10 | 106.4° | 120.0° |
| N10 | C5 | N4 | 117.9° | 120.5° |
| C5 | N4 | C3 | 121.1° | 120.6° |
| N4 | C3 | N9 | 122.5° | 119.2° |
| C3 | N9 | C11 | 123.5° | 120.0° |
| C3 | N9 | HN9 | 118.3° | 119.9° |
| C11 | N9 | HN9 | 118.3° | 120.1° |
| N9 | C11 | C14 | 117.3° | 120.2° |
| C11 | C14 | C22 | 120.1° | 119.9° |
| C11 | C14 | H14 | 119.9° | 120.0° |
| C22 | C14 | H14 | 119.9° | 120.1° |
| C14 | C22 | C23 | 132.4° | 132.8° |
| C22 | C23 | C24 | 103.7° | 104.1° |
| C22 | C23 | H23 | 111.4° | 110.5° |
| C22 | C23 | H23A | 112.7° | 110.5° |
| C24 | C23 | H23 | 111.5° | 110.5° |
| C24 | C23 | H23A | 112.7° | 110.6° |
| C23 | C24 | N25 | 107.3° | 107.1° |
| C23 | C24 | O26 | 126.5° | 126.4° |
| H23 | C23 | H23A | 105.1° | 110.5° |
| C24 | N25 | HN25 | 123.8° | 123.8° |
| N25 | C24 | O26 | 126.2° | 126.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N30 | C35 | H35 | H35A | 120.0° | 119.9° |
| N30 | C35 | H35 | H35B | 120.0° | 120.1° |
| N30 | C35 | H35A | H35B | 120.0° | 120.1° |
| C35 | N30 | S31 | C34 | 91.7° | 90.0° |
| C35 | N30 | C20 | C13 | 93.0° | 87.4° |
| C35 | N30 | C20 | N1 | 84.6° | 92.7° |
| C35 | N30 | C20 | S31 | 171.2° | 179.9° |
| C35 | N30 | S31 | O33 | 152.6° | 154.0° |
| C35 | N30 | S31 | O32 | 23.8° | 26.1° |
| H35 | C35 | H35A | H35B | 120.0° | 120.0° |
| H35 | C35 | N30 | C20 | 25.0° | 87.1° |
| H35 | C35 | N30 | S31 | 163.6° | 93.0° |
| H35A | C35 | N30 | C20 | 145.1° | 153.0° |
| H35A | C35 | N30 | S31 | 43.6° | 26.9° |
| H35B | C35 | N30 | C20 | 94.9° | 32.9° |
| H35B | C35 | N30 | S31 | 76.4° | 147.0° |
| S31 | C34 | H34 | H34A | 120.0° | 120.0° |
| S31 | C34 | H34 | H34B | 120.0° | 120.1° |
| S31 | C34 | H34A | H34B | 120.0° | 120.0° |
| C34 | S31 | N30 | C20 | 79.5° | 90.0° |
| C34 | S31 | O33 | N30 | 109.1° | 111.7° |
| C34 | S31 | O33 | O32 | 135.6° | 131.5° |
| C34 | S31 | N30 | O32 | 115.5° | 116.1° |
| H34 | C34 | H34A | H34B | 120.0° | 119.9° |
| H34 | C34 | S31 | O33 | 94.6° | 51.6° |
| H34 | C34 | S31 | N30 | 155.0° | 60.0° |
| H34 | C34 | S31 | O32 | 46.1° | 171.6° |
| H34A | C34 | S31 | O33 | 25.4° | 171.6° |
| H34A | C34 | S31 | N30 | 85.0° | 60.0° |
| H34A | C34 | S31 | O32 | 166.2° | 51.6° |
| H34B | C34 | S31 | O33 | 145.4° | 68.4° |
| H34B | C34 | S31 | N30 | 35.0° | 180.0° |
| H34B | C34 | S31 | O32 | 73.8° | 68.4° |
| C3 | N2 | C7 | C6 | 0.2° | 0.0° |
| C3 | N2 | C7 | H7 | 179.7° | 180.0° |
| N2 | C3 | N4 | C5 | 1.7° | 0.0° |
| N2 | C3 | N4 | N9 | 176.4° | 180.0° |
| N2 | C3 | N9 | C11 | 164.3° | 5.8° |
| N2 | C3 | N9 | HN9 | 15.7° | 174.2° |
| N2 | C7 | C6 | H7 | 180.0° | 180.0° |
| N2 | C7 | C6 | C5 | 0.8° | 0.0° |
| N2 | C7 | C6 | C8 | 179.0° | 180.0° |
| C7 | N2 | C3 | N4 | 1.0° | 0.0° |
| C7 | N2 | C3 | N9 | 177.7° | 180.0° |
| C7 | C6 | C5 | C8 | 179.7° | 180.0° |
| C7 | C6 | C8 | F28 | 114.7° | 120.0° |
| C7 | C6 | C8 | F27 | 2.7° | 0.0° |
| C7 | C6 | C8 | F29 | 122.9° | 120.0° |
| C7 | C6 | C5 | N10 | 177.9° | 180.0° |
| C7 | C6 | C5 | N4 | 0.1° | 0.0° |
| H7 | C7 | C6 | C5 | 179.2° | 180.0° |
| H7 | C7 | C6 | C8 | 1.1° | 0.0° |
| C5 | C6 | C8 | F28 | 65.6° | 60.0° |
| C5 | C6 | C8 | F27 | 177.0° | 180.0° |
| C5 | C6 | C8 | F29 | 56.8° | 60.0° |
| C6 | C5 | N10 | C12 | 171.4° | 180.0° |
| C6 | C5 | N10 | N4 | 177.9° | 179.9° |
| C6 | C5 | N10 | HN10 | 68.6° | 0.0° |
| C6 | C5 | N4 | C3 | 1.1° | 0.0° |
| C6 | C8 | F28 | F27 | 118.9° | 120.0° |
| C6 | C8 | F28 | F29 | 123.5° | 120.0° |
| C6 | C8 | F27 | F29 | 121.5° | 120.0° |
| C8 | C6 | C5 | N10 | 1.8° | 0.0° |
| C8 | C6 | C5 | N4 | 179.6° | 180.0° |
| C17 | C13 | C12 | C20 | 179.6° | 179.7° |
| C17 | C13 | C20 | N1 | 0.3° | 0.2° |
| C17 | C13 | C20 | N30 | 177.8° | 179.7° |
| C13 | C17 | C18 | H17 | 180.0° | 180.0° |
| C13 | C17 | C18 | C19 | 1.9° | 0.0° |
| C13 | C17 | C18 | H18 | 178.1° | 180.0° |
| C17 | C13 | C12 | N10 | 87.7° | 100.4° |
| C17 | C13 | C12 | H12 | 152.3° | 19.6° |
| C17 | C13 | C12 | H12A | 31.9° | 139.6° |
| C12 | C13 | C20 | N1 | 179.3° | 179.9° |
| C12 | C13 | C20 | N30 | 1.8° | 0.0° |
| C12 | C13 | C17 | C18 | 179.2° | 180.0° |
| C12 | C13 | C17 | H17 | 0.8° | 0.0° |
| C13 | C12 | N10 | H12 | 120.0° | 120.0° |
| C13 | C12 | N10 | H12A | 119.6° | 120.0° |
| C13 | C12 | H12 | H12A | 119.6° | 120.0° |
| C13 | C12 | N10 | C5 | 173.6° | 180.0° |
| C13 | C12 | N10 | HN10 | 53.6° | 0.0° |
| C13 | C20 | N1 | N30 | 177.6° | 179.9° |
| C20 | C13 | C17 | C18 | 1.2° | 0.3° |
| C13 | C20 | N1 | C19 | 1.2° | 0.1° |
| C13 | C20 | N30 | S31 | 95.8° | 92.7° |
| C20 | C13 | C17 | H17 | 178.8° | 179.8° |
| C20 | C13 | C12 | N10 | 92.6° | 79.9° |
| C20 | C13 | C12 | H12 | 27.4° | 160.1° |
| C20 | C13 | C12 | H12A | 147.7° | 40.1° |
| C20 | N1 | C19 | C18 | 0.5° | 0.3° |
| C20 | N1 | C19 | H19 | 179.5° | 180.0° |
| N1 | C20 | N30 | S31 | 86.6° | 87.2° |
| N30 | C20 | N1 | C19 | 178.8° | 180.0° |
| C20 | N30 | S31 | O33 | 36.1° | 26.1° |
| C20 | N30 | S31 | O32 | 165.0° | 154.0° |
| N25 | C21 | C22 | C15 | 179.0° | 179.7° |
| N25 | C21 | C15 | C16 | 178.1° | 179.6° |
| N25 | C21 | C22 | C14 | 177.6° | 179.7° |
| N25 | C21 | C22 | C23 | 1.6° | 0.3° |
| C21 | N25 | C24 | C23 | 2.3° | 0.5° |
| N25 | C21 | C15 | H15 | 1.9° | 0.4° |
| C21 | N25 | C24 | HN25 | 180.0° | 179.7° |
| C21 | N25 | C24 | O26 | 179.5° | 179.8° |
| C22 | C21 | C15 | C16 | 0.7° | 0.0° |
| C21 | C22 | C14 | C11 | 1.3° | 0.0° |
| C21 | C22 | C14 | C23 | 178.9° | 179.9° |
| C21 | C22 | C14 | H14 | 178.7° | 180.0° |
| C21 | C22 | C23 | C24 | 0.3° | 0.0° |
| C21 | C22 | C23 | H23 | 120.3° | 118.6° |
| C21 | C22 | C23 | H23A | 121.9° | 118.8° |
| C22 | C21 | C15 | H15 | 179.3° | 180.0° |
| C22 | C21 | N25 | C24 | 2.6° | 0.5° |
| C22 | C21 | N25 | HN25 | 177.4° | 179.7° |
| C21 | C15 | C16 | H15 | 180.0° | 180.0° |
| C21 | C15 | C16 | C11 | 0.2° | 0.0° |
| C21 | C15 | C16 | H16 | 179.8° | 180.0° |
| C15 | C21 | C22 | C14 | 1.4° | 0.0° |
| C15 | C21 | C22 | C23 | 179.4° | 180.0° |
| C15 | C21 | N25 | C24 | 178.6° | 179.8° |
| C15 | C21 | N25 | HN25 | 1.4° | 0.1° |
| F28 | C8 | F27 | F29 | 117.6° | 120.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | N1 | 1.1° | 0.3° |
| C17 | C18 | C19 | H19 | 178.9° | 179.9° |
| C18 | C19 | N1 | H19 | 180.0° | 179.7° |
| C19 | C18 | C17 | H17 | 178.2° | 180.0° |
| H18 | C18 | C19 | N1 | 179.0° | 179.7° |
| H18 | C18 | C19 | H19 | 1.1° | 0.0° |
| H18 | C18 | C17 | H17 | 1.8° | 0.0° |
| C15 | C16 | C11 | H16 | 180.0° | 180.0° |
| C15 | C16 | C11 | N9 | 178.2° | 180.0° |
| C15 | C16 | C11 | C14 | 0.3° | 0.1° |
| C16 | C11 | N9 | C3 | 31.3° | 144.4° |
| C16 | C11 | N9 | C14 | 178.5° | 180.0° |
| C16 | C11 | N9 | HN9 | 148.7° | 35.6° |
| C16 | C11 | C14 | C22 | 0.5° | 0.0° |
| C16 | C11 | C14 | H14 | 179.5° | 179.9° |
| C11 | C16 | C15 | H15 | 179.8° | 180.0° |
| H16 | C16 | C11 | N9 | 1.8° | 0.0° |
| H16 | C16 | C11 | C14 | 179.7° | 180.0° |
| H16 | C16 | C15 | H15 | 0.2° | 0.0° |
| O33 | S31 | N30 | O32 | 128.8° | 127.9° |
| N10 | C12 | H12 | H12A | 119.7° | 119.9° |
| C12 | N10 | C5 | HN10 | 120.0° | 180.0° |
| C12 | N10 | C5 | N4 | 6.5° | 0.0° |
| H12 | C12 | N10 | C5 | 66.4° | 60.0° |
| H12 | C12 | N10 | HN10 | 173.6° | 120.1° |
| H12A | C12 | N10 | C5 | 54.0° | 60.0° |
| H12A | C12 | N10 | HN10 | 66.0° | 120.0° |
| N10 | C5 | N4 | C3 | 176.8° | 179.9° |
| HN10 | N10 | C5 | N4 | 113.5° | 179.9° |
| C5 | N4 | C3 | N9 | 178.1° | 180.0° |
| N4 | C3 | N9 | C11 | 12.3° | 174.2° |
| N4 | C3 | N9 | HN9 | 167.7° | 5.8° |
| C3 | N9 | C11 | HN9 | 180.0° | 180.0° |
| C3 | N9 | C11 | C14 | 147.2° | 35.6° |
| N9 | C11 | C14 | C22 | 179.0° | 180.0° |
| N9 | C11 | C14 | H14 | 1.0° | 0.0° |
| HN9 | N9 | C11 | C14 | 32.8° | 144.4° |
| C11 | C14 | C22 | H14 | 180.0° | 180.0° |
| C11 | C14 | C22 | C23 | 179.7° | 180.0° |
| C14 | C22 | C23 | C24 | 178.8° | 180.0° |
| C14 | C22 | C23 | H23 | 58.8° | 61.3° |
| C14 | C22 | C23 | H23A | 59.1° | 61.3° |
| H14 | C14 | C22 | C23 | 0.3° | 0.1° |
| C22 | C23 | C24 | H23 | 120.0° | 118.7° |
| C22 | C23 | C24 | H23A | 122.1° | 118.7° |
| C22 | C23 | H23 | H23A | 122.4° | 122.6° |
| C22 | C23 | C24 | N25 | 1.2° | 0.3° |
| C22 | C23 | C24 | O26 | 179.4° | 180.0° |
| C24 | C23 | H23 | H23A | 122.4° | 122.7° |
| C23 | C24 | N25 | O26 | 178.3° | 179.7° |
| C23 | C24 | N25 | HN25 | 177.7° | 179.8° |
| H23 | C23 | C24 | N25 | 118.8° | 118.9° |
| H23 | C23 | C24 | O26 | 59.5° | 61.3° |
| H23A | C23 | C24 | N25 | 123.3° | 118.4° |
| H23A | C23 | C24 | O26 | 58.4° | 61.3° |
| HN25 | N25 | C24 | O26 | 0.6° | 0.1° |
