0NH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | C7 | sing | 1.53Å | 1.54Å | |
| C2 | N12 | sing | 1.47Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C4 | N5 | sing | 1.47Å | 1.48Å | |
| N5 | C6 | sing | 1.47Å | 1.47Å | |
| N5 | S8 | sing | 1.66Å | 1.66Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| S8 | O9 | doub | 1.42Å | 1.43Å | |
| S8 | O10 | doub | 1.42Å | 1.42Å | |
| S8 | C11 | sing | 1.81Å | 1.82Å | |
| N12 | C13 | sing | 1.36Å | 1.37Å | Aromatic |
| N12 | C16 | sing | 1.37Å | 1.39Å | Aromatic |
| C13 | N14 | doub | 1.30Å | 1.30Å | Aromatic |
| N14 | C15 | sing | 1.36Å | 1.36Å | Aromatic |
| C15 | C16 | doub | 1.41Å | 1.42Å | Aromatic |
| C15 | C24 | sing | 1.40Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.42Å | Aromatic |
| C17 | C18 | sing | 1.46Å | 1.47Å | Aromatic |
| C17 | C22 | doub | 1.40Å | 1.42Å | Aromatic |
| C18 | C19 | doub | 1.34Å | 1.34Å | Aromatic |
| C19 | N20 | sing | 1.37Å | 1.37Å | Aromatic |
| N20 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | N23 | sing | 1.33Å | 1.34Å | Aromatic |
| N23 | C24 | doub | 1.31Å | 1.31Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| N20 | HN20 | sing | 0.97Å | 1.00Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 109.0° | 109.4° |
| C1 | C2 | C7 | 109.0° | 109.5° |
| C1 | C2 | N12 | 110.9° | 109.4° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.4° |
| C3 | C2 | C7 | 112.5° | 109.6° |
| C3 | C2 | N12 | 109.3° | 109.5° |
| C2 | C3 | C4 | 113.4° | 109.3° |
| C2 | C3 | H3 | 108.5° | 109.5° |
| C2 | C3 | H3A | 108.5° | 109.5° |
| C7 | C2 | N12 | 106.1° | 109.4° |
| C2 | C7 | C6 | 109.4° | 109.3° |
| C2 | C7 | H7 | 109.5° | 109.5° |
| C2 | C7 | H7A | 109.5° | 109.5° |
| C2 | N12 | C13 | 124.7° | 126.3° |
| C2 | N12 | C16 | 127.5° | 126.3° |
| C3 | C4 | N5 | 111.5° | 108.8° |
| C4 | C3 | H3 | 108.4° | 109.5° |
| C4 | C3 | H3A | 108.5° | 109.5° |
| C3 | C4 | H4 | 109.0° | 109.6° |
| C3 | C4 | H4A | 108.9° | 109.6° |
| C4 | N5 | C6 | 119.7° | 118.7° |
| C4 | N5 | S8 | 121.8° | 120.6° |
| N5 | C4 | H4 | 108.9° | 109.6° |
| N5 | C4 | H4A | 109.0° | 109.6° |
| C6 | N5 | S8 | 118.5° | 120.6° |
| N5 | C6 | C7 | 108.9° | 108.8° |
| N5 | C6 | H6 | 109.6° | 109.6° |
| N5 | C6 | H6A | 109.6° | 109.6° |
| N5 | S8 | O9 | 102.2° | 104.3° |
| N5 | S8 | O10 | 104.8° | 104.3° |
| N5 | S8 | C11 | 107.5° | 104.5° |
| C7 | C6 | H6 | 109.6° | 109.6° |
| C7 | C6 | H6A | 109.6° | 109.6° |
| C6 | C7 | H7 | 109.5° | 109.5° |
| C6 | C7 | H7A | 109.5° | 109.5° |
| O9 | S8 | O10 | 119.3° | 121.0° |
| O9 | S8 | C11 | 109.6° | 110.5° |
| O10 | S8 | C11 | 112.2° | 110.5° |
| S8 | C11 | H11 | 109.5° | 109.5° |
| S8 | C11 | H11A | 109.5° | 109.5° |
| S8 | C11 | H11B | 109.5° | 109.5° |
| C13 | N12 | C16 | 107.8° | 107.4° |
| N12 | C13 | N14 | 110.0° | 110.0° |
| N12 | C13 | H13 | 125.0° | 125.0° |
| N12 | C16 | C15 | 105.0° | 106.2° |
| N12 | C16 | C17 | 137.3° | 135.6° |
| C13 | N14 | C15 | 109.7° | 109.6° |
| N14 | C13 | H13 | 125.0° | 125.1° |
| N14 | C15 | C16 | 107.5° | 106.9° |
| N14 | C15 | C24 | 133.3° | 134.3° |
| C16 | C15 | C24 | 119.2° | 118.8° |
| C15 | C16 | C17 | 117.7° | 118.2° |
| C15 | C24 | N23 | 121.1° | 121.1° |
| C15 | C24 | H24 | 119.4° | 119.4° |
| C16 | C17 | C18 | 135.6° | 134.6° |
| C16 | C17 | C22 | 119.1° | 119.2° |
| C18 | C17 | C22 | 105.3° | 106.3° |
| C17 | C18 | C19 | 107.7° | 106.9° |
| C17 | C18 | H18 | 126.2° | 126.5° |
| C17 | C22 | N20 | 107.4° | 107.0° |
| C17 | C22 | N23 | 119.9° | 120.2° |
| C18 | C19 | N20 | 109.7° | 109.8° |
| C19 | C18 | H18 | 126.1° | 126.6° |
| C18 | C19 | H19 | 125.2° | 125.1° |
| C19 | N20 | C22 | 110.0° | 110.0° |
| N20 | C19 | H19 | 125.2° | 125.1° |
| C19 | N20 | HN20 | 125.0° | 125.0° |
| N20 | C22 | N23 | 132.6° | 132.8° |
| C22 | N20 | HN20 | 125.0° | 125.0° |
| C22 | N23 | C24 | 122.9° | 122.4° |
| N23 | C24 | H24 | 119.5° | 119.4° |
| H1 | C1 | H1A | 109.4° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.4° | 109.5° |
| H3 | C3 | H3A | 109.5° | 109.5° |
| H4 | C4 | H4A | 109.5° | 109.7° |
| H6 | C6 | H6A | 109.5° | 109.7° |
| H7 | C7 | H7A | 109.5° | 109.6° |
| H11 | C11 | H11A | 109.5° | 109.4° |
| H11 | C11 | H11B | 109.4° | 109.5° |
| H11A | C11 | H11B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C7 | 121.0° | 120.0° |
| C1 | C2 | C3 | N12 | 121.4° | 120.0° |
| C1 | C2 | C7 | N12 | 119.5° | 119.9° |
| C1 | C2 | C3 | C4 | 72.7° | 178.6° |
| C1 | C2 | C7 | C6 | 63.6° | 178.6° |
| C1 | C2 | N12 | C13 | 1.5° | 114.7° |
| C1 | C2 | N12 | C16 | 178.2° | 65.0° |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 119.9° |
| C1 | C2 | C3 | H3 | 166.7° | 58.7° |
| C1 | C2 | C3 | H3A | 47.8° | 61.5° |
| C1 | C2 | C7 | H7 | 56.4° | 61.5° |
| C1 | C2 | C7 | H7A | 176.4° | 58.6° |
| C3 | C2 | C7 | N12 | 119.5° | 120.1° |
| C2 | C3 | C4 | H3 | 120.6° | 119.9° |
| C2 | C3 | C4 | H3A | 120.6° | 120.0° |
| C2 | C3 | C4 | N5 | 39.8° | 54.6° |
| C3 | C2 | C7 | C6 | 57.4° | 61.4° |
| C3 | C2 | N12 | C13 | 118.7° | 125.4° |
| C3 | C2 | N12 | C16 | 61.6° | 54.9° |
| C3 | C2 | C1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H1A | 60.0° | 180.0° |
| C3 | C2 | C1 | H1B | 60.0° | 60.0° |
| C2 | C3 | H3 | H3A | 118.2° | 120.1° |
| C2 | C3 | C4 | H4 | 160.1° | 65.1° |
| C2 | C3 | C4 | H4A | 80.6° | 174.5° |
| C3 | C2 | C7 | H7 | 177.4° | 58.5° |
| C3 | C2 | C7 | H7A | 62.6° | 178.7° |
| C7 | C2 | C3 | C4 | 48.3° | 61.4° |
| C2 | C7 | C6 | N5 | 58.0° | 54.6° |
| C2 | C7 | C6 | H7 | 120.0° | 119.9° |
| C2 | C7 | C6 | H7A | 120.0° | 120.0° |
| C7 | C2 | N12 | C13 | 119.8° | 5.3° |
| C7 | C2 | N12 | C16 | 59.9° | 175.0° |
| C7 | C2 | C1 | H1 | 56.8° | 179.9° |
| C7 | C2 | C1 | H1A | 63.2° | 59.9° |
| C7 | C2 | C1 | H1B | 176.9° | 60.1° |
| C7 | C2 | C3 | H3 | 72.2° | 178.7° |
| C7 | C2 | C3 | H3A | 168.9° | 58.6° |
| C2 | C7 | C6 | H6 | 177.9° | 65.2° |
| C2 | C7 | C6 | H6A | 61.9° | 174.4° |
| C2 | C7 | H7 | H7A | 120.1° | 120.1° |
| N12 | C2 | C3 | C4 | 165.9° | 58.6° |
| N12 | C2 | C7 | C6 | 176.9° | 58.7° |
| C2 | N12 | C13 | C16 | 179.8° | 179.8° |
| C2 | N12 | C13 | N14 | 180.0° | 180.0° |
| C2 | N12 | C16 | C15 | 179.8° | 179.9° |
| C2 | N12 | C16 | C17 | 0.1° | 0.0° |
| N12 | C2 | C1 | H1 | 59.6° | 60.0° |
| N12 | C2 | C1 | H1A | 179.6° | 60.0° |
| N12 | C2 | C1 | H1B | 60.4° | 180.0° |
| N12 | C2 | C3 | H3 | 45.4° | 61.3° |
| N12 | C2 | C3 | H3A | 73.5° | 178.6° |
| N12 | C2 | C7 | H7 | 63.1° | 178.6° |
| N12 | C2 | C7 | H7A | 56.9° | 61.3° |
| C2 | N12 | C13 | H13 | 0.1° | 0.0° |
| C3 | C4 | N5 | H4 | 120.3° | 119.8° |
| C3 | C4 | N5 | H4A | 120.3° | 119.8° |
| C3 | C4 | N5 | C6 | 45.4° | 53.6° |
| C3 | C4 | N5 | S8 | 136.9° | 126.4° |
| C4 | C3 | H3 | H3A | 118.2° | 120.1° |
| C3 | C4 | H4 | H4A | 119.0° | 120.4° |
| C4 | N5 | C6 | S8 | 177.8° | 180.0° |
| C4 | N5 | C6 | C7 | 55.1° | 53.6° |
| C4 | N5 | S8 | O9 | 109.8° | 154.0° |
| C4 | N5 | S8 | O10 | 15.3° | 26.1° |
| C4 | N5 | S8 | C11 | 134.8° | 90.0° |
| N5 | C4 | C3 | H3 | 80.8° | 174.6° |
| N5 | C4 | C3 | H3A | 160.3° | 65.3° |
| N5 | C4 | H4 | H4A | 119.1° | 120.4° |
| C4 | N5 | C6 | H6 | 175.0° | 66.2° |
| C4 | N5 | C6 | H6A | 64.8° | 173.4° |
| N5 | C6 | C7 | H6 | 119.9° | 119.8° |
| N5 | C6 | C7 | H6A | 119.9° | 119.8° |
| C6 | N5 | S8 | O9 | 67.9° | 26.0° |
| C6 | N5 | S8 | O10 | 166.9° | 153.9° |
| C6 | N5 | S8 | C11 | 47.4° | 90.0° |
| C6 | N5 | C4 | H4 | 165.7° | 66.2° |
| C6 | N5 | C4 | H4A | 74.9° | 173.4° |
| N5 | C6 | H6 | H6A | 120.2° | 120.4° |
| N5 | C6 | C7 | H7 | 178.0° | 65.3° |
| N5 | C6 | C7 | H7A | 62.0° | 174.6° |
| S8 | N5 | C6 | C7 | 127.1° | 126.4° |
| N5 | S8 | O9 | O10 | 115.0° | 116.8° |
| N5 | S8 | O9 | C11 | 113.8° | 111.7° |
| N5 | S8 | O10 | C11 | 116.3° | 111.8° |
| S8 | N5 | C4 | H4 | 16.5° | 113.8° |
| S8 | N5 | C4 | H4A | 102.8° | 6.6° |
| S8 | N5 | C6 | H6 | 7.2° | 113.8° |
| S8 | N5 | C6 | H6A | 113.0° | 6.6° |
| N5 | S8 | C11 | H11 | 180.0° | 60.0° |
| N5 | S8 | C11 | H11A | 60.0° | 179.9° |
| N5 | S8 | C11 | H11B | 60.0° | 60.0° |
| C7 | C6 | H6 | H6A | 120.3° | 120.3° |
| C6 | C7 | H7 | H7A | 120.0° | 120.1° |
| O9 | S8 | O10 | C11 | 130.1° | 131.5° |
| O9 | S8 | C11 | H11 | 69.7° | 51.6° |
| O9 | S8 | C11 | H11A | 50.3° | 68.3° |
| O9 | S8 | C11 | H11B | 170.4° | 171.7° |
| O10 | S8 | C11 | H11 | 65.3° | 171.7° |
| O10 | S8 | C11 | H11A | 174.7° | 68.4° |
| O10 | S8 | C11 | H11B | 54.7° | 51.6° |
| S8 | C11 | H11 | H11A | 120.0° | 120.0° |
| S8 | C11 | H11 | H11B | 120.0° | 120.1° |
| S8 | C11 | H11A | H11B | 120.0° | 120.0° |
| N12 | C13 | N14 | H13 | 180.0° | 180.0° |
| N12 | C13 | N14 | C15 | 0.4° | 0.0° |
| C13 | N12 | C16 | C15 | 0.1° | 0.4° |
| C13 | N12 | C16 | C17 | 179.9° | 179.7° |
| C16 | N12 | C13 | N14 | 0.3° | 0.2° |
| N12 | C16 | C15 | N14 | 0.1° | 0.4° |
| N12 | C16 | C15 | C17 | 180.0° | 179.9° |
| N12 | C16 | C15 | C24 | 179.7° | 179.8° |
| N12 | C16 | C17 | C18 | 0.0° | 0.1° |
| N12 | C16 | C17 | C22 | 179.9° | 180.0° |
| C16 | N12 | C13 | H13 | 179.7° | 179.8° |
| C13 | N14 | C15 | C16 | 0.3° | 0.2° |
| C13 | N14 | C15 | C24 | 179.8° | 180.0° |
| N14 | C15 | C16 | C24 | 179.6° | 179.8° |
| N14 | C15 | C16 | C17 | 179.9° | 179.7° |
| N14 | C15 | C24 | N23 | 179.8° | 179.3° |
| C15 | N14 | C13 | H13 | 179.6° | 180.0° |
| N14 | C15 | C24 | H24 | 0.1° | 0.1° |
| C15 | C16 | C17 | C18 | 179.9° | 179.8° |
| C15 | C16 | C17 | C22 | 0.1° | 0.1° |
| C16 | C15 | C24 | N23 | 0.7° | 0.5° |
| C16 | C15 | C24 | H24 | 179.3° | 179.8° |
| C24 | C15 | C16 | C17 | 0.3° | 0.1° |
| C15 | C24 | N23 | C22 | 0.7° | 0.7° |
| C15 | C24 | N23 | H24 | 180.0° | 179.3° |
| C16 | C17 | C18 | C22 | 179.9° | 179.9° |
| C16 | C17 | C18 | C19 | 179.5° | 180.0° |
| C16 | C17 | C22 | N20 | 179.7° | 180.0° |
| C16 | C17 | C22 | N23 | 0.1° | 0.1° |
| C16 | C17 | C18 | H18 | 0.5° | 0.1° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | N20 | 0.4° | 0.1° |
| C18 | C17 | C22 | N20 | 0.2° | 0.1° |
| C18 | C17 | C22 | N23 | 180.0° | 180.0° |
| C17 | C18 | C19 | H19 | 179.6° | 180.0° |
| C22 | C17 | C18 | C19 | 0.4° | 0.1° |
| C17 | C22 | N20 | C19 | 0.0° | 0.0° |
| C17 | C22 | N20 | N23 | 179.8° | 179.9° |
| C17 | C22 | N23 | C24 | 0.3° | 0.5° |
| C22 | C17 | C18 | H18 | 179.6° | 180.0° |
| C17 | C22 | N20 | HN20 | 180.0° | 179.9° |
| C18 | C19 | N20 | H19 | 180.0° | 179.9° |
| C18 | C19 | N20 | C22 | 0.3° | 0.0° |
| C18 | C19 | N20 | HN20 | 179.7° | 180.0° |
| C19 | N20 | C22 | HN20 | 180.0° | 180.0° |
| C19 | N20 | C22 | N23 | 179.8° | 179.9° |
| N20 | C19 | C18 | H18 | 179.6° | 180.0° |
| N20 | C22 | N23 | C24 | 180.0° | 179.6° |
| C22 | N20 | C19 | H19 | 179.7° | 179.9° |
| N23 | C22 | N20 | HN20 | 0.2° | 0.1° |
| C22 | N23 | C24 | H24 | 179.3° | 180.0° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H3 | C3 | C4 | H4 | 39.5° | 54.8° |
| H3 | C3 | C4 | H4A | 158.9° | 65.6° |
| H3A | C3 | C4 | H4 | 79.4° | 174.9° |
| H3A | C3 | C4 | H4A | 40.0° | 54.5° |
| H6 | C6 | C7 | H7 | 62.1° | 175.0° |
| H6 | C6 | C7 | H7A | 57.9° | 54.8° |
| H6A | C6 | C7 | H7 | 58.1° | 54.5° |
| H6A | C6 | C7 | H7A | 178.1° | 65.6° |
| H11 | C11 | H11A | H11B | 120.0° | 120.0° |
| H18 | C18 | C19 | H19 | 0.4° | 0.1° |
| H19 | C19 | N20 | HN20 | 0.3° | 0.1° |
