MS7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C4 | sing | 1.47Å | 1.49Å | |
| C4 | C6 | sing | 1.53Å | 1.56Å | |
| C4 | C34 | sing | 1.51Å | 1.53Å | |
| C6 | C9 | sing | 1.51Å | 1.53Å | |
| C9 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C14 | doub | 1.39Å | 1.42Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | O19 | sing | 1.36Å | 1.40Å | |
| C15 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| O19 | C20 | sing | 1.43Å | 1.44Å | |
| C20 | C23 | sing | 1.51Å | 1.51Å | |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C32 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C28 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | O35 | doub | 1.21Å | 1.24Å | |
| C34 | N36 | sing | 1.35Å | 1.38Å | |
| N36 | C38 | sing | 1.46Å | 1.47Å | |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| N1 | HN1A | sing | 1.01Å | 1.00Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| N36 | HN36 | sing | 0.97Å | 1.00Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C38 | H38B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C4 | C6 | 111.9° | 109.5° |
| N1 | C4 | C34 | 116.1° | 109.5° |
| C4 | N1 | HN1 | 109.5° | 111.0° |
| C4 | N1 | HN1A | 109.4° | 111.0° |
| N1 | C4 | H4 | 101.9° | 109.5° |
| C6 | C4 | C34 | 106.4° | 109.5° |
| C4 | C6 | C9 | 112.4° | 109.5° |
| C6 | C4 | H4 | 112.5° | 109.4° |
| C4 | C6 | H6 | 108.5° | 109.4° |
| C4 | C6 | H6A | 108.5° | 109.5° |
| C4 | C34 | O35 | 118.5° | 120.0° |
| C4 | C34 | N36 | 117.4° | 120.0° |
| C34 | C4 | H4 | 108.0° | 109.5° |
| C6 | C9 | C10 | 121.7° | 119.9° |
| C6 | C9 | C17 | 118.4° | 119.9° |
| C9 | C6 | H6 | 108.5° | 109.4° |
| C9 | C6 | H6A | 108.5° | 109.5° |
| C10 | C9 | C17 | 119.9° | 120.2° |
| C9 | C10 | C12 | 121.5° | 120.1° |
| C9 | C10 | H10 | 119.2° | 120.0° |
| C9 | C17 | C15 | 119.9° | 120.0° |
| C9 | C17 | H17 | 120.1° | 120.0° |
| C10 | C12 | C14 | 117.7° | 119.9° |
| C12 | C10 | H10 | 119.2° | 119.9° |
| C10 | C12 | H12 | 121.1° | 120.1° |
| C12 | C14 | C15 | 120.4° | 119.9° |
| C12 | C14 | O19 | 122.6° | 120.0° |
| C14 | C12 | H12 | 121.1° | 120.0° |
| C15 | C14 | O19 | 117.0° | 120.0° |
| C14 | C15 | C17 | 120.4° | 120.0° |
| C14 | C15 | H15 | 119.8° | 120.0° |
| C14 | O19 | C20 | 119.8° | 117.0° |
| C17 | C15 | H15 | 119.8° | 120.0° |
| C15 | C17 | H17 | 120.0° | 120.0° |
| O19 | C20 | C23 | 106.0° | 109.5° |
| O19 | C20 | H20 | 110.6° | 109.5° |
| O19 | C20 | H20A | 110.7° | 109.5° |
| C20 | C23 | C24 | 120.6° | 120.0° |
| C20 | C23 | C32 | 119.7° | 120.0° |
| C23 | C20 | H20 | 110.7° | 109.5° |
| C23 | C20 | H20A | 110.6° | 109.5° |
| C24 | C23 | C32 | 119.7° | 120.0° |
| C23 | C24 | C26 | 121.2° | 120.0° |
| C23 | C24 | H24 | 119.4° | 120.0° |
| C23 | C32 | C30 | 118.5° | 119.9° |
| C23 | C32 | H32 | 120.8° | 120.0° |
| C24 | C26 | C28 | 119.9° | 120.0° |
| C26 | C24 | H24 | 119.4° | 120.0° |
| C24 | C26 | H26 | 120.0° | 120.0° |
| C26 | C28 | C30 | 117.2° | 120.0° |
| C28 | C26 | H26 | 120.0° | 120.0° |
| C26 | C28 | H28 | 121.4° | 120.0° |
| C28 | C30 | C32 | 123.4° | 120.1° |
| C30 | C28 | H28 | 121.4° | 120.0° |
| C28 | C30 | H30 | 118.3° | 120.0° |
| C32 | C30 | H30 | 118.3° | 120.0° |
| C30 | C32 | H32 | 120.8° | 120.0° |
| O35 | C34 | N36 | 124.1° | 120.0° |
| C34 | N36 | C38 | 124.7° | 120.0° |
| C34 | N36 | HN36 | 117.7° | 120.0° |
| C38 | N36 | HN36 | 117.7° | 120.0° |
| N36 | C38 | H38 | 109.5° | 109.5° |
| N36 | C38 | H38A | 109.5° | 109.4° |
| N36 | C38 | H38B | 109.4° | 109.5° |
| HN1 | N1 | HN1A | 109.5° | 111.0° |
| H6 | C6 | H6A | 110.4° | 109.5° |
| H20 | C20 | H20A | 108.3° | 109.4° |
| H38 | C38 | H38A | 109.4° | 109.5° |
| H38 | C38 | H38B | 109.4° | 109.4° |
| H38A | C38 | H38B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C4 | C6 | C34 | 127.9° | 120.0° |
| N1 | C4 | C6 | H4 | 114.1° | 120.0° |
| N1 | C4 | C34 | H4 | 113.7° | 120.1° |
| N1 | C4 | C6 | C9 | 40.1° | 65.0° |
| N1 | C4 | C34 | O35 | 72.7° | 19.9° |
| N1 | C4 | C34 | N36 | 109.3° | 160.0° |
| C4 | N1 | HN1 | HN1A | 120.0° | 124.0° |
| N1 | C4 | C6 | H6 | 79.9° | 55.0° |
| N1 | C4 | C6 | H6A | 160.1° | 175.0° |
| C6 | C4 | C34 | H4 | 121.0° | 120.0° |
| C4 | C6 | C9 | H6 | 120.0° | 119.9° |
| C4 | C6 | C9 | H6A | 120.0° | 120.0° |
| C4 | C6 | C9 | C10 | 74.9° | 89.9° |
| C4 | C6 | C9 | C17 | 105.9° | 90.3° |
| C6 | C4 | C34 | O35 | 52.6° | 100.1° |
| C6 | C4 | C34 | N36 | 125.4° | 80.0° |
| C6 | C4 | N1 | HN1 | 180.0° | 60.1° |
| C6 | C4 | N1 | HN1A | 60.0° | 63.9° |
| C4 | C6 | H6 | H6A | 118.8° | 120.0° |
| C34 | C4 | C6 | C9 | 167.9° | 175.0° |
| C4 | C34 | O35 | N36 | 177.8° | 179.9° |
| C4 | C34 | N36 | C38 | 179.1° | 180.0° |
| C34 | C4 | N1 | HN1 | 57.6° | 59.9° |
| C34 | C4 | N1 | HN1A | 62.5° | 176.1° |
| C34 | C4 | C6 | H6 | 47.9° | 65.0° |
| C34 | C4 | C6 | H6A | 72.0° | 55.0° |
| C4 | C34 | N36 | HN36 | 1.0° | 0.1° |
| C6 | C9 | C10 | C17 | 179.2° | 179.8° |
| C6 | C9 | C10 | C12 | 179.7° | 180.0° |
| C6 | C9 | C17 | C15 | 179.9° | 179.7° |
| C9 | C6 | C4 | H4 | 74.0° | 55.0° |
| C9 | C6 | H6 | H6A | 118.8° | 120.0° |
| C6 | C9 | C10 | H10 | 0.4° | 0.0° |
| C6 | C9 | C17 | H17 | 0.1° | 0.0° |
| C9 | C10 | C12 | H10 | 180.0° | 180.0° |
| C9 | C10 | C12 | C14 | 0.4° | 0.0° |
| C10 | C9 | C17 | C15 | 0.9° | 0.5° |
| C10 | C9 | C6 | H6 | 165.1° | 30.0° |
| C10 | C9 | C6 | H6A | 45.1° | 150.0° |
| C9 | C10 | C12 | H12 | 179.6° | 180.0° |
| C10 | C9 | C17 | H17 | 179.1° | 179.8° |
| C17 | C9 | C10 | C12 | 0.5° | 0.2° |
| C9 | C17 | C15 | C14 | 1.3° | 0.5° |
| C9 | C17 | C15 | H17 | 180.0° | 179.8° |
| C17 | C9 | C6 | H6 | 14.1° | 149.8° |
| C17 | C9 | C6 | H6A | 134.0° | 29.8° |
| C17 | C9 | C10 | H10 | 179.5° | 179.8° |
| C9 | C17 | C15 | H15 | 178.7° | 179.7° |
| C10 | C12 | C14 | H12 | 180.0° | 179.9° |
| C10 | C12 | C14 | C15 | 0.8° | 0.1° |
| C10 | C12 | C14 | O19 | 179.5° | 180.0° |
| C12 | C14 | C15 | O19 | 179.8° | 179.9° |
| C12 | C14 | C15 | C17 | 1.2° | 0.3° |
| C12 | C14 | O19 | C20 | 28.5° | 180.0° |
| C14 | C12 | C10 | H10 | 179.6° | 180.0° |
| C12 | C14 | C15 | H15 | 178.7° | 179.9° |
| C14 | C15 | C17 | H15 | 180.0° | 179.8° |
| C15 | C14 | O19 | C20 | 151.2° | 0.1° |
| C15 | C14 | C12 | H12 | 179.2° | 180.0° |
| C14 | C15 | C17 | H17 | 178.7° | 179.7° |
| O19 | C14 | C15 | C17 | 179.0° | 179.8° |
| C14 | O19 | C20 | C23 | 176.5° | 180.0° |
| O19 | C14 | C12 | H12 | 0.5° | 0.1° |
| O19 | C14 | C15 | H15 | 1.0° | 0.0° |
| C14 | O19 | C20 | H20 | 56.4° | 59.9° |
| C14 | O19 | C20 | H20A | 63.6° | 60.0° |
| O19 | C20 | C23 | H20 | 120.0° | 120.0° |
| O19 | C20 | C23 | H20A | 120.0° | 120.0° |
| O19 | C20 | C23 | C24 | 37.0° | 90.0° |
| O19 | C20 | C23 | C32 | 143.9° | 90.3° |
| O19 | C20 | H20 | H20A | 121.4° | 120.0° |
| C20 | C23 | C24 | C32 | 179.1° | 179.8° |
| C20 | C23 | C24 | C26 | 179.6° | 180.0° |
| C20 | C23 | C32 | C30 | 179.9° | 179.8° |
| C23 | C20 | H20 | H20A | 121.4° | 120.0° |
| C20 | C23 | C24 | H24 | 0.4° | 0.1° |
| C20 | C23 | C32 | H32 | 0.1° | 0.0° |
| C23 | C24 | C26 | H24 | 180.0° | 179.9° |
| C23 | C24 | C26 | C28 | 2.3° | 0.1° |
| C24 | C23 | C32 | C30 | 0.8° | 0.5° |
| C24 | C23 | C20 | H20 | 83.0° | 30.1° |
| C24 | C23 | C20 | H20A | 157.0° | 150.0° |
| C23 | C24 | C26 | H26 | 177.7° | 179.9° |
| C24 | C23 | C32 | H32 | 179.2° | 179.8° |
| C32 | C23 | C24 | C26 | 1.3° | 0.2° |
| C23 | C32 | C30 | C28 | 1.3° | 0.4° |
| C23 | C32 | C30 | H32 | 180.0° | 179.8° |
| C32 | C23 | C20 | H20 | 96.1° | 149.7° |
| C32 | C23 | C20 | H20A | 23.9° | 29.8° |
| C32 | C23 | C24 | H24 | 178.7° | 179.7° |
| C23 | C32 | C30 | H30 | 178.7° | 179.7° |
| C24 | C26 | C28 | H26 | 180.0° | 179.8° |
| C24 | C26 | C28 | C30 | 2.7° | 0.1° |
| C24 | C26 | C28 | H28 | 177.3° | 179.9° |
| C26 | C28 | C30 | H28 | 180.0° | 179.9° |
| C26 | C28 | C30 | C32 | 2.3° | 0.1° |
| C28 | C26 | C24 | H24 | 177.7° | 180.0° |
| C26 | C28 | C30 | H30 | 177.7° | 180.0° |
| C28 | C30 | C32 | H30 | 180.0° | 179.9° |
| C30 | C28 | C26 | H26 | 177.3° | 180.0° |
| C28 | C30 | C32 | H32 | 178.7° | 179.8° |
| C32 | C30 | C28 | H28 | 177.8° | 179.8° |
| O35 | C34 | N36 | C38 | 1.2° | 0.1° |
| O35 | C34 | C4 | H4 | 173.6° | 140.0° |
| O35 | C34 | N36 | HN36 | 178.8° | 180.0° |
| C34 | N36 | C38 | HN36 | 180.0° | 180.0° |
| N36 | C34 | C4 | H4 | 4.4° | 39.9° |
| C34 | N36 | C38 | H38 | 180.0° | 60.0° |
| C34 | N36 | C38 | H38A | 60.0° | 60.1° |
| C34 | N36 | C38 | H38B | 60.0° | 180.0° |
| N36 | C38 | H38 | H38A | 120.0° | 120.0° |
| N36 | C38 | H38 | H38B | 120.0° | 120.0° |
| N36 | C38 | H38A | H38B | 120.0° | 120.0° |
| HN1 | N1 | C4 | H4 | 59.5° | 180.0° |
| HN1A | N1 | C4 | H4 | 179.5° | 56.0° |
| H4 | C4 | C6 | H6 | 166.0° | 175.0° |
| H4 | C4 | C6 | H6A | 46.0° | 65.0° |
| H10 | C10 | C12 | H12 | 0.4° | 0.0° |
| H15 | C15 | C17 | H17 | 1.3° | 0.0° |
| H24 | C24 | C26 | H26 | 2.4° | 0.1° |
| H26 | C26 | C28 | H28 | 2.7° | 0.1° |
| H28 | C28 | C30 | H30 | 2.2° | 0.1° |
| H30 | C30 | C32 | H32 | 1.3° | 0.1° |
| HN36 | N36 | C38 | H38 | 0.0° | 120.0° |
| HN36 | N36 | C38 | H38A | 120.0° | 120.0° |
| HN36 | N36 | C38 | H38B | 120.0° | 0.0° |
| H38 | C38 | H38A | H38B | 120.0° | 120.0° |
