A1EVK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N30 | C29 | trip | 1.14Å | 1.13Å | |
| C29 | C26 | sing | 1.43Å | 1.53Å | |
| C27 | C26 | doub | 1.40Å | 1.37Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.40Å | 1.38Å | Aromatic |
| O21 | S20 | doub | 1.42Å | 1.46Å | |
| C28 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | S20 | sing | 1.76Å | 1.80Å | |
| O22 | S20 | doub | 1.42Å | 1.46Å | |
| S20 | N19 | sing | 1.66Å | 1.68Å | |
| N19 | C17 | sing | 1.47Å | 1.48Å | |
| N19 | C18 | sing | 1.47Å | 1.48Å | |
| C17 | C16 | sing | 1.52Å | 1.48Å | |
| C18 | C16 | sing | 1.52Å | 1.48Å | |
| C16 | C15 | doub | 1.31Å | 1.29Å | |
| C15 | C13 | sing | 1.51Å | 1.48Å | |
| C15 | C14 | sing | 1.51Å | 1.48Å | |
| C13 | N12 | sing | 1.47Å | 1.48Å | |
| C14 | N12 | sing | 1.47Å | 1.48Å | |
| N12 | C08 | sing | 1.35Å | 1.43Å | |
| C08 | O11 | doub | 1.21Å | 1.18Å | |
| C08 | C07 | sing | 1.51Å | 1.51Å | |
| C05 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.37Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.37Å | Aromatic |
| C07 | C06 | sing | 1.51Å | 1.53Å | |
| C07 | C09 | sing | 1.53Å | 1.52Å | |
| C06 | C01 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.37Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | O10 | sing | 1.43Å | 1.39Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.08Å | 1.08Å | |
| C28 | H6 | sing | 1.08Å | 1.08Å | |
| C01 | H7 | sing | 1.08Å | 1.08Å | |
| C02 | H8 | sing | 1.08Å | 1.08Å | |
| C03 | H9 | sing | 1.08Å | 1.08Å | |
| C04 | H10 | sing | 1.08Å | 1.08Å | |
| C05 | H11 | sing | 1.08Å | 1.08Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| C27 | H20 | sing | 1.08Å | 1.08Å | |
| O10 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N30 | C29 | C26 | 178.5° | 180.0° |
| C29 | C26 | C27 | 117.3° | 120.2° |
| C29 | C26 | C25 | 122.5° | 120.2° |
| C26 | C27 | C28 | 119.9° | 119.8° |
| C27 | C26 | C25 | 120.1° | 119.7° |
| C26 | C27 | H20 | 120.1° | 120.0° |
| C27 | C28 | C23 | 120.2° | 120.2° |
| C27 | C28 | H6 | 119.9° | 119.9° |
| C28 | C27 | H20 | 120.0° | 120.1° |
| C26 | C25 | C24 | 120.0° | 119.9° |
| C26 | C25 | H19 | 120.0° | 120.1° |
| O21 | S20 | C23 | 112.8° | 106.4° |
| O21 | S20 | O22 | 101.7° | 123.1° |
| O21 | S20 | N19 | 108.5° | 106.4° |
| C28 | C23 | C24 | 120.3° | 120.3° |
| C28 | C23 | S20 | 117.8° | 119.9° |
| C23 | C28 | H6 | 119.9° | 119.9° |
| C25 | C24 | C23 | 119.5° | 120.2° |
| C25 | C24 | H5 | 120.3° | 119.9° |
| C24 | C25 | H19 | 120.0° | 120.1° |
| C24 | C23 | S20 | 122.0° | 119.8° |
| C23 | C24 | H5 | 120.2° | 119.9° |
| C23 | S20 | O22 | 112.0° | 106.4° |
| C23 | S20 | N19 | 109.7° | 107.2° |
| O22 | S20 | N19 | 112.0° | 106.4° |
| S20 | N19 | C17 | 133.5° | 135.2° |
| S20 | N19 | C18 | 131.8° | 135.2° |
| C17 | N19 | C18 | 90.7° | 89.7° |
| N19 | C17 | C16 | 88.6° | 86.5° |
| N19 | C17 | H3 | 114.4° | 113.7° |
| N19 | C17 | H4 | 114.4° | 113.8° |
| N19 | C18 | C16 | 88.9° | 86.5° |
| N19 | C18 | H17 | 114.4° | 113.7° |
| N19 | C18 | H18 | 114.4° | 113.8° |
| C17 | C16 | C18 | 90.8° | 86.6° |
| C17 | C16 | C15 | 136.9° | 136.7° |
| C16 | C17 | H3 | 114.4° | 113.7° |
| C16 | C17 | H4 | 114.4° | 113.7° |
| C18 | C16 | C15 | 132.2° | 136.7° |
| C16 | C18 | H17 | 114.3° | 113.7° |
| C16 | C18 | H18 | 114.3° | 113.7° |
| C16 | C15 | C13 | 136.1° | 137.6° |
| C16 | C15 | C14 | 132.6° | 137.6° |
| C13 | C15 | C14 | 91.3° | 84.8° |
| C15 | C13 | N12 | 88.3° | 87.7° |
| C15 | C13 | H1 | 114.5° | 113.5° |
| C15 | C13 | H2 | 114.5° | 113.6° |
| C15 | C14 | N12 | 88.5° | 87.8° |
| C15 | C14 | H15 | 114.4° | 113.5° |
| C15 | C14 | H16 | 114.4° | 113.5° |
| C13 | N12 | C14 | 91.3° | 87.6° |
| C13 | N12 | C08 | 134.1° | 136.2° |
| N12 | C13 | H1 | 114.5° | 113.5° |
| N12 | C13 | H2 | 114.5° | 113.5° |
| C14 | N12 | C08 | 134.5° | 136.2° |
| N12 | C14 | H15 | 114.4° | 113.3° |
| N12 | C14 | H16 | 114.4° | 113.7° |
| N12 | C08 | O11 | 119.5° | 120.0° |
| N12 | C08 | C07 | 118.0° | 120.0° |
| O11 | C08 | C07 | 122.5° | 120.0° |
| C08 | C07 | C06 | 106.8° | 109.5° |
| C08 | C07 | C09 | 107.9° | 109.5° |
| C08 | C07 | H12 | 109.9° | 109.5° |
| C04 | C05 | C06 | 119.5° | 120.0° |
| C05 | C04 | C03 | 121.1° | 120.0° |
| C05 | C04 | H10 | 119.5° | 120.0° |
| C04 | C05 | H11 | 120.2° | 119.9° |
| C05 | C06 | C07 | 119.6° | 120.0° |
| C05 | C06 | C01 | 119.5° | 120.0° |
| C06 | C05 | H11 | 120.3° | 120.1° |
| C04 | C03 | C02 | 119.9° | 120.0° |
| C04 | C03 | H9 | 120.0° | 120.0° |
| C03 | C04 | H10 | 119.5° | 120.0° |
| C06 | C07 | C09 | 112.7° | 109.5° |
| C07 | C06 | C01 | 120.9° | 120.0° |
| C06 | C07 | H12 | 109.7° | 109.5° |
| C07 | C09 | O10 | 108.9° | 109.5° |
| C09 | C07 | H12 | 109.8° | 109.5° |
| C07 | C09 | H13 | 109.6° | 109.4° |
| C07 | C09 | H14 | 109.6° | 109.5° |
| C06 | C01 | C02 | 120.6° | 120.0° |
| C06 | C01 | H7 | 119.7° | 119.9° |
| C03 | C02 | C01 | 119.4° | 120.0° |
| C03 | C02 | H8 | 120.3° | 120.0° |
| C02 | C03 | H9 | 120.1° | 120.0° |
| C02 | C01 | H7 | 119.7° | 120.0° |
| C01 | C02 | H8 | 120.3° | 120.0° |
| O10 | C09 | H13 | 109.6° | 109.4° |
| O10 | C09 | H14 | 109.6° | 109.5° |
| C09 | O10 | H21 | 109.5° | 114.0° |
| H1 | C13 | H2 | 109.4° | 112.8° |
| H3 | C17 | H4 | 109.5° | 112.9° |
| H13 | C09 | H14 | 109.5° | 109.5° |
| H15 | C14 | H16 | 109.5° | 112.8° |
| H17 | C18 | H18 | 109.5° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N30 | C29 | C26 | C27 | 3.4° | 39.2° |
| N30 | C29 | C26 | C25 | 176.7° | 140.8° |
| C29 | C26 | C27 | C25 | 179.9° | 180.0° |
| C29 | C26 | C27 | C28 | 179.8° | 179.7° |
| C29 | C26 | C25 | C24 | 179.7° | 180.0° |
| C29 | C26 | C25 | H19 | 0.3° | 0.0° |
| C29 | C26 | C27 | H20 | 0.2° | 0.0° |
| C26 | C27 | C28 | H20 | 180.0° | 179.7° |
| C26 | C27 | C28 | C23 | 0.1° | 0.3° |
| C27 | C26 | C25 | C24 | 0.2° | 0.0° |
| C26 | C27 | C28 | H6 | 180.0° | 179.8° |
| C27 | C26 | C25 | H19 | 179.8° | 180.0° |
| C28 | C27 | C26 | C25 | 0.1° | 0.3° |
| C27 | C28 | C23 | H6 | 180.0° | 179.9° |
| C27 | C28 | C23 | C24 | 0.0° | 0.0° |
| C27 | C28 | C23 | S20 | 179.9° | 180.0° |
| C26 | C25 | C24 | H19 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 0.2° | 0.3° |
| C26 | C25 | C24 | H5 | 179.8° | 180.0° |
| C25 | C26 | C27 | H20 | 179.9° | 180.0° |
| O21 | S20 | C23 | C28 | 39.8° | 156.4° |
| O21 | S20 | C23 | C24 | 140.1° | 23.6° |
| O21 | S20 | C23 | O22 | 114.0° | 132.9° |
| O21 | S20 | C23 | N19 | 121.1° | 113.6° |
| O21 | S20 | O22 | N19 | 115.6° | 122.9° |
| O21 | S20 | N19 | C17 | 65.7° | 23.6° |
| O21 | S20 | N19 | C18 | 143.5° | 156.5° |
| C28 | C23 | C24 | C25 | 0.1° | 0.3° |
| C28 | C23 | C24 | S20 | 179.9° | 180.0° |
| C28 | C23 | S20 | O22 | 153.7° | 23.5° |
| C28 | C23 | S20 | N19 | 81.3° | 90.0° |
| C28 | C23 | C24 | H5 | 179.9° | 180.0° |
| C23 | C28 | C27 | H20 | 180.0° | 180.0° |
| C25 | C24 | C23 | H5 | 180.0° | 179.7° |
| C25 | C24 | C23 | S20 | 179.8° | 179.7° |
| C24 | C23 | S20 | O22 | 26.1° | 156.5° |
| C24 | C23 | S20 | N19 | 98.8° | 90.0° |
| C24 | C23 | C28 | H6 | 180.0° | 179.9° |
| C23 | C24 | C25 | H19 | 179.8° | 179.7° |
| C23 | S20 | O22 | N19 | 123.7° | 114.1° |
| C23 | S20 | N19 | C17 | 57.9° | 90.0° |
| C23 | S20 | N19 | C18 | 92.8° | 89.9° |
| S20 | C23 | C24 | H5 | 0.2° | 0.0° |
| S20 | C23 | C28 | H6 | 0.1° | 0.1° |
| O22 | S20 | N19 | C17 | 177.1° | 156.5° |
| O22 | S20 | N19 | C18 | 32.1° | 23.6° |
| S20 | N19 | C17 | C18 | 158.6° | 180.0° |
| S20 | N19 | C17 | C16 | 151.4° | 155.2° |
| S20 | N19 | C18 | C16 | 152.0° | 155.2° |
| S20 | N19 | C17 | H3 | 92.3° | 40.8° |
| S20 | N19 | C17 | H4 | 35.1° | 90.4° |
| S20 | N19 | C18 | H17 | 35.7° | 90.4° |
| S20 | N19 | C18 | H18 | 91.7° | 40.8° |
| N19 | C17 | C16 | H3 | 116.3° | 114.4° |
| N19 | C17 | C16 | H4 | 116.3° | 114.5° |
| C17 | N19 | C18 | C16 | 7.3° | 24.8° |
| N19 | C17 | C16 | C15 | 172.3° | 155.9° |
| N19 | C17 | H3 | H4 | 129.9° | 131.6° |
| C17 | N19 | C18 | H17 | 123.6° | 89.6° |
| C17 | N19 | C18 | H18 | 109.0° | 139.2° |
| N19 | C18 | C16 | H17 | 116.4° | 114.4° |
| N19 | C18 | C16 | H18 | 116.3° | 114.5° |
| N19 | C18 | C16 | C15 | 172.3° | 155.9° |
| C18 | N19 | C17 | H3 | 109.0° | 139.2° |
| C18 | N19 | C17 | H4 | 123.5° | 89.6° |
| N19 | C18 | H17 | H18 | 129.8° | 131.6° |
| C17 | C16 | C18 | C15 | 179.6° | 180.0° |
| C17 | C16 | C15 | C13 | 0.8° | 180.0° |
| C17 | C16 | C15 | C14 | 180.0° | 0.3° |
| C16 | C17 | H3 | H4 | 129.9° | 131.6° |
| C17 | C16 | C18 | H17 | 123.6° | 90.2° |
| C17 | C16 | C18 | H18 | 109.1° | 138.6° |
| C18 | C16 | C15 | C13 | 179.8° | 0.0° |
| C18 | C16 | C15 | C14 | 0.6° | 179.6° |
| C18 | C16 | C17 | H3 | 109.1° | 138.5° |
| C18 | C16 | C17 | H4 | 123.6° | 90.3° |
| C16 | C18 | H17 | H18 | 129.8° | 131.5° |
| C16 | C15 | C13 | C14 | 179.4° | 179.8° |
| C16 | C15 | C13 | N12 | 173.8° | 154.2° |
| C16 | C15 | C14 | N12 | 173.8° | 154.2° |
| C16 | C15 | C13 | H1 | 57.6° | 39.5° |
| C16 | C15 | C13 | H2 | 70.0° | 91.1° |
| C15 | C16 | C17 | H3 | 71.4° | 41.5° |
| C15 | C16 | C17 | H4 | 56.0° | 89.7° |
| C16 | C15 | C14 | H15 | 69.9° | 91.3° |
| C16 | C15 | C14 | H16 | 57.5° | 39.3° |
| C15 | C16 | C18 | H17 | 55.9° | 89.7° |
| C15 | C16 | C18 | H18 | 71.4° | 41.4° |
| C15 | C13 | N12 | H1 | 116.2° | 114.7° |
| C15 | C13 | N12 | H2 | 116.2° | 114.8° |
| C13 | C15 | C14 | N12 | 5.6° | 25.6° |
| C15 | C13 | N12 | C08 | 174.8° | 153.6° |
| C15 | C13 | H1 | H2 | 130.1° | 131.0° |
| C13 | C15 | C14 | H15 | 110.7° | 88.9° |
| C13 | C15 | C14 | H16 | 121.9° | 140.5° |
| C15 | C14 | N12 | H15 | 116.3° | 114.7° |
| C15 | C14 | N12 | H16 | 116.3° | 114.8° |
| C15 | C14 | N12 | C08 | 174.8° | 153.6° |
| C14 | C15 | C13 | H1 | 121.8° | 140.2° |
| C14 | C15 | C13 | H2 | 110.7° | 89.2° |
| C15 | C14 | H15 | H16 | 130.0° | 130.9° |
| C13 | N12 | C14 | C08 | 179.6° | 179.8° |
| C13 | N12 | C08 | O11 | 0.5° | 5.0° |
| C13 | N12 | C08 | C07 | 179.4° | 175.1° |
| N12 | C13 | H1 | H2 | 130.1° | 130.9° |
| C13 | N12 | C14 | H15 | 110.7° | 88.5° |
| C13 | N12 | C14 | H16 | 121.9° | 141.1° |
| C14 | N12 | C08 | O11 | 179.9° | 175.3° |
| C14 | N12 | C08 | C07 | 1.2° | 4.7° |
| C14 | N12 | C13 | H1 | 121.8° | 140.9° |
| C14 | N12 | C13 | H2 | 110.6° | 88.6° |
| N12 | C14 | H15 | H16 | 129.9° | 130.9° |
| N12 | C08 | O11 | C07 | 178.8° | 180.0° |
| N12 | C08 | C07 | C06 | 75.3° | 94.9° |
| N12 | C08 | C07 | C09 | 163.2° | 145.1° |
| C08 | N12 | C13 | H1 | 58.6° | 38.9° |
| C08 | N12 | C13 | H2 | 69.0° | 91.6° |
| N12 | C08 | C07 | H12 | 43.5° | 25.1° |
| C08 | N12 | C14 | H15 | 68.9° | 91.7° |
| C08 | N12 | C14 | H16 | 58.5° | 38.8° |
| O11 | C08 | C07 | C06 | 103.5° | 85.1° |
| O11 | C08 | C07 | C09 | 18.0° | 34.9° |
| O11 | C08 | C07 | H12 | 137.6° | 154.9° |
| C08 | C07 | C06 | C05 | 118.1° | 120.0° |
| C08 | C07 | C06 | C09 | 118.3° | 120.0° |
| C08 | C07 | C06 | H12 | 119.0° | 120.0° |
| C08 | C07 | C09 | H12 | 119.7° | 120.0° |
| C08 | C07 | C06 | C01 | 60.7° | 59.5° |
| C08 | C07 | C09 | O10 | 179.2° | 65.3° |
| C08 | C07 | C09 | H13 | 59.3° | 174.7° |
| C08 | C07 | C09 | H14 | 60.9° | 54.7° |
| C04 | C05 | C06 | H11 | 180.0° | 179.8° |
| C05 | C04 | C03 | H10 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 179.8° | 179.9° |
| C04 | C05 | C06 | C01 | 1.0° | 0.5° |
| C05 | C04 | C03 | C02 | 0.6° | 0.0° |
| C05 | C04 | C03 | H9 | 179.4° | 179.9° |
| C06 | C05 | C04 | C03 | 0.9° | 0.2° |
| C05 | C06 | C07 | C01 | 178.8° | 179.5° |
| C05 | C06 | C07 | C09 | 123.5° | 120.0° |
| C05 | C06 | C01 | C02 | 0.8° | 0.5° |
| C05 | C06 | C01 | H7 | 179.2° | 179.7° |
| C06 | C05 | C04 | H10 | 179.1° | 179.8° |
| C05 | C06 | C07 | H12 | 0.9° | 0.0° |
| C04 | C03 | C02 | H9 | 180.0° | 179.9° |
| C04 | C03 | C02 | C01 | 0.4° | 0.0° |
| C04 | C03 | C02 | H8 | 179.6° | 180.0° |
| C03 | C04 | C05 | H11 | 179.1° | 180.0° |
| C06 | C07 | C09 | H12 | 122.6° | 120.0° |
| C07 | C06 | C01 | C02 | 179.6° | 180.0° |
| C06 | C07 | C09 | O10 | 61.5° | 174.7° |
| C07 | C06 | C01 | H7 | 0.4° | 0.2° |
| C07 | C06 | C05 | H11 | 0.2° | 0.2° |
| C06 | C07 | C09 | H13 | 58.4° | 54.7° |
| C06 | C07 | C09 | H14 | 178.6° | 65.3° |
| C09 | C07 | C06 | C01 | 57.7° | 60.5° |
| C07 | C09 | O10 | H13 | 119.9° | 119.9° |
| C07 | C09 | O10 | H14 | 119.9° | 120.0° |
| C07 | C09 | H13 | H14 | 120.3° | 120.0° |
| C07 | C09 | O10 | H21 | 180.0° | 180.0° |
| C06 | C01 | C02 | C03 | 0.5° | 0.3° |
| C06 | C01 | C02 | H7 | 180.0° | 179.8° |
| C06 | C01 | C02 | H8 | 179.5° | 179.8° |
| C01 | C06 | C05 | H11 | 179.0° | 179.7° |
| C01 | C06 | C07 | H12 | 179.7° | 179.5° |
| C03 | C02 | C01 | H8 | 180.0° | 180.0° |
| C03 | C02 | C01 | H7 | 179.5° | 179.9° |
| C02 | C03 | C04 | H10 | 179.4° | 180.0° |
| C01 | C02 | C03 | H9 | 179.6° | 179.9° |
| O10 | C09 | C07 | H12 | 61.1° | 54.6° |
| O10 | C09 | H13 | H14 | 120.3° | 120.0° |
| H5 | C24 | C25 | H19 | 0.2° | 0.0° |
| H6 | C28 | C27 | H20 | 0.0° | 0.0° |
| H7 | C01 | C02 | H8 | 0.5° | 0.1° |
| H8 | C02 | C03 | H9 | 0.4° | 0.1° |
| H9 | C03 | C04 | H10 | 0.6° | 0.1° |
| H10 | C04 | C05 | H11 | 0.9° | 0.1° |
| H12 | C07 | C09 | H13 | 179.0° | 65.3° |
| H12 | C07 | C09 | H14 | 58.8° | 174.7° |
| H13 | C09 | O10 | H21 | 60.1° | 60.1° |
| H14 | C09 | O10 | H21 | 60.1° | 60.0° |






