7YN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O28 | S17 | doub | 1.42Å | 1.41Å | |
| O21 | C19 | sing | 1.34Å | 1.38Å | Aromatic |
| O21 | C23 | sing | 1.34Å | 1.36Å | Aromatic |
| S17 | O18 | doub | 1.42Å | 1.41Å | |
| S17 | C19 | sing | 1.76Å | 1.71Å | |
| S17 | N15 | sing | 1.66Å | 1.70Å | |
| C19 | C20 | doub | 1.35Å | 1.39Å | Aromatic |
| C23 | C22 | doub | 1.34Å | 1.37Å | Aromatic |
| N15 | C14 | sing | 1.35Å | 1.46Å | |
| O16 | C14 | doub | 1.22Å | 1.22Å | |
| C14 | N13 | sing | 1.35Å | 1.40Å | |
| C10 | C11 | sing | 1.54Å | 1.54Å | |
| C10 | C01 | sing | 1.51Å | 1.49Å | |
| C11 | C12 | sing | 1.54Å | 1.53Å | |
| C20 | C22 | sing | 1.41Å | 1.43Å | Aromatic |
| C22 | C24 | sing | 1.51Å | 1.49Å | |
| N13 | C02 | sing | 1.40Å | 1.44Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C12 | C03 | sing | 1.51Å | 1.49Å | |
| C01 | C02 | doub | 1.39Å | 1.40Å | Aromatic |
| C01 | C03 | sing | 1.38Å | 1.40Å | Aromatic |
| C02 | C04 | sing | 1.38Å | 1.41Å | Aromatic |
| C03 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C27 | sing | 1.53Å | 1.54Å | |
| C24 | O26 | sing | 1.43Å | 1.40Å | |
| C04 | C06 | doub | 1.40Å | 1.40Å | Aromatic |
| C04 | C07 | sing | 1.51Å | 1.49Å | |
| C05 | C06 | sing | 1.40Å | 1.38Å | Aromatic |
| C06 | C09 | sing | 1.47Å | 1.48Å | |
| C07 | C08 | sing | 1.51Å | 1.54Å | |
| C09 | C08 | doub | 1.32Å | 1.53Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.08Å | 1.08Å | |
| C09 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| N13 | H20 | sing | 0.97Å | 1.00Å | |
| N15 | H21 | sing | 0.97Å | 1.00Å | |
| O26 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O28 | S17 | O18 | 121.7° | 123.2° |
| O28 | S17 | C19 | 104.1° | 106.4° |
| O28 | S17 | N15 | 107.3° | 106.4° |
| C19 | O21 | C23 | 107.2° | 109.4° |
| O21 | C19 | S17 | 123.7° | 125.8° |
| O21 | C19 | C20 | 108.5° | 108.4° |
| O21 | C23 | C22 | 111.9° | 108.5° |
| O21 | C23 | H13 | 124.0° | 125.8° |
| O18 | S17 | C19 | 104.8° | 106.4° |
| O18 | S17 | N15 | 106.8° | 106.4° |
| C19 | S17 | N15 | 112.2° | 107.2° |
| S17 | C19 | C20 | 127.8° | 125.8° |
| S17 | N15 | C14 | 125.6° | 120.0° |
| S17 | N15 | H21 | 117.2° | 120.0° |
| C19 | C20 | C22 | 107.6° | 106.8° |
| C19 | C20 | H3 | 126.2° | 126.6° |
| C23 | C22 | C20 | 104.7° | 106.8° |
| C23 | C22 | C24 | 125.5° | 126.6° |
| C22 | C23 | H13 | 124.0° | 125.8° |
| N15 | C14 | O16 | 118.7° | 120.0° |
| N15 | C14 | N13 | 118.5° | 120.0° |
| C14 | N15 | H21 | 117.2° | 120.0° |
| O16 | C14 | N13 | 122.9° | 120.0° |
| C14 | N13 | C02 | 127.8° | 120.0° |
| C14 | N13 | H20 | 116.1° | 120.0° |
| C11 | C10 | C01 | 105.9° | 105.1° |
| C10 | C11 | C12 | 106.1° | 102.4° |
| C11 | C10 | H1 | 110.3° | 110.3° |
| C11 | C10 | H2 | 110.3° | 110.3° |
| C10 | C11 | H9 | 110.3° | 110.8° |
| C10 | C11 | H10 | 110.3° | 110.8° |
| C10 | C01 | C02 | 129.9° | 130.3° |
| C10 | C01 | C03 | 108.7° | 109.8° |
| C01 | C10 | H1 | 110.4° | 110.3° |
| C01 | C10 | H2 | 110.4° | 110.3° |
| C11 | C12 | C03 | 104.2° | 105.2° |
| C12 | C11 | H9 | 110.3° | 110.8° |
| C12 | C11 | H10 | 110.3° | 110.9° |
| C11 | C12 | H11 | 110.8° | 110.3° |
| C11 | C12 | H12 | 110.8° | 110.2° |
| C20 | C22 | C24 | 129.8° | 126.5° |
| C22 | C20 | H3 | 126.2° | 126.6° |
| C22 | C24 | C25 | 111.4° | 109.5° |
| C22 | C24 | C27 | 111.4° | 109.5° |
| C22 | C24 | O26 | 106.3° | 109.5° |
| N13 | C02 | C01 | 121.0° | 120.0° |
| N13 | C02 | C04 | 122.9° | 120.0° |
| C02 | N13 | H20 | 116.1° | 120.0° |
| C25 | C24 | C27 | 107.5° | 109.5° |
| C25 | C24 | O26 | 110.2° | 109.4° |
| C24 | C25 | H14 | 109.5° | 109.5° |
| C24 | C25 | H15 | 109.5° | 109.5° |
| C24 | C25 | H16 | 109.5° | 109.5° |
| C12 | C03 | C01 | 112.7° | 109.7° |
| C12 | C03 | C05 | 124.7° | 130.2° |
| C03 | C12 | H11 | 110.7° | 110.3° |
| C03 | C12 | H12 | 110.8° | 110.3° |
| C02 | C01 | C03 | 121.4° | 120.0° |
| C01 | C02 | C04 | 116.1° | 120.0° |
| C01 | C03 | C05 | 122.6° | 120.1° |
| C02 | C04 | C06 | 120.9° | 120.4° |
| C02 | C04 | C07 | 130.7° | 133.3° |
| C03 | C05 | C06 | 116.3° | 120.4° |
| C03 | C05 | H4 | 121.8° | 119.8° |
| C27 | C24 | O26 | 110.1° | 109.5° |
| C24 | C27 | H17 | 109.5° | 109.5° |
| C24 | C27 | H18 | 109.4° | 109.5° |
| C24 | C27 | H19 | 109.5° | 109.5° |
| C24 | O26 | H22 | 109.5° | 114.0° |
| C06 | C04 | C07 | 108.4° | 106.3° |
| C04 | C06 | C05 | 122.8° | 119.1° |
| C04 | C06 | C09 | 113.4° | 108.9° |
| C04 | C07 | C08 | 106.6° | 105.5° |
| C04 | C07 | H5 | 110.2° | 110.3° |
| C04 | C07 | H6 | 110.2° | 110.2° |
| C05 | C06 | C09 | 123.8° | 131.9° |
| C06 | C05 | H4 | 121.9° | 119.9° |
| C06 | C09 | C08 | 104.5° | 111.0° |
| C06 | C09 | H8 | 127.7° | 124.5° |
| C07 | C08 | C09 | 106.7° | 108.3° |
| C08 | C07 | H5 | 110.2° | 110.3° |
| C08 | C07 | H6 | 110.2° | 110.3° |
| C07 | C08 | H7 | 126.7° | 125.9° |
| C09 | C08 | H7 | 126.6° | 125.8° |
| C08 | C09 | H8 | 127.8° | 124.5° |
| H1 | C10 | H2 | 109.5° | 110.4° |
| H5 | C07 | H6 | 109.5° | 110.3° |
| H9 | C11 | H10 | 109.5° | 110.9° |
| H11 | C12 | H12 | 109.5° | 110.3° |
| H14 | C25 | H15 | 109.4° | 109.4° |
| H14 | C25 | H16 | 109.5° | 109.4° |
| H15 | C25 | H16 | 109.5° | 109.5° |
| H17 | C27 | H18 | 109.5° | 109.4° |
| H17 | C27 | H19 | 109.5° | 109.5° |
| H18 | C27 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O28 | S17 | C19 | O21 | 60.3° | 156.4° |
| O28 | S17 | O18 | C19 | 117.4° | 123.0° |
| O28 | S17 | O18 | N15 | 123.5° | 123.0° |
| O28 | S17 | C19 | N15 | 115.6° | 113.6° |
| O28 | S17 | C19 | C20 | 119.9° | 23.5° |
| O28 | S17 | N15 | C14 | 61.4° | 178.5° |
| O28 | S17 | N15 | H21 | 118.6° | 1.4° |
| O21 | C19 | S17 | O18 | 68.5° | 23.5° |
| O21 | C19 | S17 | C20 | 179.8° | 179.9° |
| O21 | C19 | S17 | N15 | 176.0° | 90.0° |
| C19 | O21 | C23 | C22 | 0.0° | 0.4° |
| O21 | C19 | C20 | C22 | 0.1° | 0.0° |
| O21 | C19 | C20 | H3 | 179.9° | 179.7° |
| C19 | O21 | C23 | H13 | 180.0° | 179.9° |
| C23 | O21 | C19 | S17 | 179.9° | 179.8° |
| C23 | O21 | C19 | C20 | 0.1° | 0.3° |
| O21 | C23 | C22 | H13 | 180.0° | 179.7° |
| O21 | C23 | C22 | C20 | 0.1° | 0.4° |
| O21 | C23 | C22 | C24 | 180.0° | 179.6° |
| O18 | S17 | C19 | N15 | 115.5° | 113.5° |
| O18 | S17 | C19 | C20 | 111.3° | 156.5° |
| O18 | S17 | N15 | C14 | 166.6° | 48.6° |
| O18 | S17 | N15 | H21 | 13.4° | 131.5° |
| C19 | S17 | N15 | C14 | 52.3° | 65.0° |
| S17 | C19 | C20 | C22 | 180.0° | 179.9° |
| S17 | C19 | C20 | H3 | 0.1° | 0.2° |
| C19 | S17 | N15 | H21 | 127.7° | 115.0° |
| N15 | S17 | C19 | C20 | 4.2° | 90.0° |
| S17 | N15 | C14 | H21 | 180.0° | 179.9° |
| S17 | N15 | C14 | O16 | 0.0° | 0.0° |
| S17 | N15 | C14 | N13 | 179.8° | 180.0° |
| C19 | C20 | C22 | C23 | 0.1° | 0.2° |
| C19 | C20 | C22 | H3 | 180.0° | 179.7° |
| C19 | C20 | C22 | C24 | 179.9° | 179.8° |
| C23 | C22 | C20 | C24 | 180.0° | 180.0° |
| C23 | C22 | C24 | C25 | 52.0° | 90.0° |
| C23 | C22 | C24 | C27 | 68.0° | 30.0° |
| C23 | C22 | C24 | O26 | 172.1° | 150.1° |
| C23 | C22 | C20 | H3 | 179.9° | 180.0° |
| N15 | C14 | O16 | N13 | 179.8° | 180.0° |
| N15 | C14 | N13 | C02 | 179.9° | 175.0° |
| N15 | C14 | N13 | H20 | 0.1° | 5.0° |
| O16 | C14 | N13 | C02 | 0.3° | 5.0° |
| O16 | C14 | N13 | H20 | 179.7° | 175.0° |
| O16 | C14 | N15 | H21 | 180.0° | 180.0° |
| C14 | N13 | C02 | H20 | 180.0° | 180.0° |
| C14 | N13 | C02 | C01 | 118.8° | 91.2° |
| C14 | N13 | C02 | C04 | 62.1° | 88.7° |
| N13 | C14 | N15 | H21 | 0.2° | 0.0° |
| C11 | C10 | C01 | H1 | 119.4° | 118.9° |
| C11 | C10 | C01 | H2 | 119.4° | 118.9° |
| C10 | C11 | C12 | H9 | 119.5° | 118.2° |
| C10 | C11 | C12 | H10 | 119.4° | 118.2° |
| C10 | C11 | C12 | C03 | 14.6° | 26.4° |
| C11 | C10 | C01 | C02 | 170.9° | 162.7° |
| C11 | C10 | C01 | C03 | 9.6° | 17.2° |
| C11 | C10 | H1 | H2 | 121.6° | 122.1° |
| C10 | C11 | H9 | H10 | 121.6° | 123.5° |
| C10 | C11 | C12 | H11 | 133.8° | 92.6° |
| C10 | C11 | C12 | H12 | 104.6° | 145.4° |
| C01 | C10 | C11 | C12 | 15.1° | 26.4° |
| C10 | C01 | C02 | N13 | 0.9° | 0.1° |
| C10 | C01 | C03 | C12 | 0.2° | 0.0° |
| C10 | C01 | C02 | C03 | 179.5° | 179.9° |
| C10 | C01 | C02 | C04 | 179.9° | 180.0° |
| C10 | C01 | C03 | C05 | 179.9° | 180.0° |
| C01 | C10 | H1 | H2 | 121.7° | 122.2° |
| C01 | C10 | C11 | H9 | 104.4° | 91.8° |
| C01 | C10 | C11 | H10 | 134.5° | 144.6° |
| C11 | C12 | C03 | H11 | 119.2° | 118.9° |
| C11 | C12 | C03 | H12 | 119.2° | 118.9° |
| C11 | C12 | C03 | C01 | 9.3° | 17.2° |
| C11 | C12 | C03 | C05 | 170.6° | 162.7° |
| C12 | C11 | C10 | H1 | 104.4° | 145.3° |
| C12 | C11 | C10 | H2 | 134.5° | 92.5° |
| C12 | C11 | H9 | H10 | 121.6° | 123.6° |
| C11 | C12 | H11 | H12 | 122.4° | 122.0° |
| C20 | C22 | C24 | C25 | 128.1° | 90.0° |
| C20 | C22 | C24 | C27 | 111.9° | 150.0° |
| C20 | C22 | C24 | O26 | 8.0° | 29.9° |
| C20 | C22 | C23 | H13 | 179.9° | 179.9° |
| C22 | C24 | C25 | C27 | 122.2° | 120.0° |
| C22 | C24 | C25 | O26 | 117.8° | 120.0° |
| C22 | C24 | C27 | O26 | 117.7° | 120.0° |
| C24 | C22 | C20 | H3 | 0.1° | 0.0° |
| C24 | C22 | C23 | H13 | 0.0° | 0.1° |
| C22 | C24 | C25 | H14 | 180.0° | 60.0° |
| C22 | C24 | C25 | H15 | 60.0° | 180.0° |
| C22 | C24 | C25 | H16 | 60.0° | 60.0° |
| C22 | C24 | C27 | H17 | 180.0° | 60.0° |
| C22 | C24 | C27 | H18 | 60.0° | 180.0° |
| C22 | C24 | C27 | H19 | 60.0° | 60.0° |
| C22 | C24 | O26 | H22 | 180.0° | 59.9° |
| N13 | C02 | C01 | C04 | 179.2° | 179.9° |
| N13 | C02 | C01 | C03 | 179.6° | 180.0° |
| N13 | C02 | C04 | C06 | 179.4° | 180.0° |
| N13 | C02 | C04 | C07 | 0.4° | 0.0° |
| C25 | C24 | C27 | O26 | 120.0° | 120.0° |
| C24 | C25 | H14 | H15 | 120.0° | 120.0° |
| C24 | C25 | H14 | H16 | 120.0° | 120.0° |
| C24 | C25 | H15 | H16 | 120.0° | 120.0° |
| C25 | C24 | C27 | H17 | 57.7° | 180.0° |
| C25 | C24 | C27 | H18 | 62.3° | 60.0° |
| C25 | C24 | C27 | H19 | 177.7° | 60.0° |
| C25 | C24 | O26 | H22 | 59.1° | 60.0° |
| C12 | C03 | C01 | C02 | 179.8° | 179.9° |
| C12 | C03 | C01 | C05 | 179.9° | 180.0° |
| C12 | C03 | C05 | C06 | 180.0° | 179.9° |
| C12 | C03 | C05 | H4 | 0.0° | 0.1° |
| C03 | C12 | C11 | H9 | 104.9° | 91.8° |
| C03 | C12 | C11 | H10 | 134.1° | 144.6° |
| C03 | C12 | H11 | H12 | 122.4° | 122.2° |
| C02 | C01 | C03 | C05 | 0.3° | 0.0° |
| C01 | C02 | C04 | C06 | 0.3° | 0.0° |
| C01 | C02 | C04 | C07 | 179.6° | 180.0° |
| C02 | C01 | C10 | H1 | 69.7° | 43.8° |
| C02 | C01 | C10 | H2 | 51.4° | 78.4° |
| C01 | C02 | N13 | H20 | 61.1° | 88.8° |
| C03 | C01 | C02 | C04 | 0.4° | 0.0° |
| C01 | C03 | C05 | C06 | 0.1° | 0.0° |
| C03 | C01 | C10 | H1 | 109.8° | 136.1° |
| C03 | C01 | C10 | H2 | 129.1° | 101.7° |
| C01 | C03 | C05 | H4 | 180.0° | 180.0° |
| C01 | C03 | C12 | H11 | 128.5° | 101.7° |
| C01 | C03 | C12 | H12 | 109.8° | 136.1° |
| C02 | C04 | C06 | C07 | 179.9° | 180.0° |
| C02 | C04 | C06 | C05 | 0.1° | 0.0° |
| C02 | C04 | C06 | C09 | 179.9° | 180.0° |
| C02 | C04 | C07 | C08 | 175.9° | 180.0° |
| C02 | C04 | C07 | H5 | 64.5° | 61.0° |
| C02 | C04 | C07 | H6 | 56.4° | 61.0° |
| C04 | C02 | N13 | H20 | 118.0° | 91.2° |
| C03 | C05 | C06 | C04 | 0.1° | 0.0° |
| C03 | C05 | C06 | H4 | 180.0° | 180.0° |
| C03 | C05 | C06 | C09 | 179.9° | 180.0° |
| C05 | C03 | C12 | H11 | 51.4° | 78.3° |
| C05 | C03 | C12 | H12 | 70.2° | 43.8° |
| C27 | C24 | C25 | H14 | 57.7° | 60.0° |
| C27 | C24 | C25 | H15 | 177.7° | 60.0° |
| C27 | C24 | C25 | H16 | 62.3° | 180.0° |
| C24 | C27 | H17 | H18 | 120.0° | 120.0° |
| C24 | C27 | H17 | H19 | 120.0° | 120.0° |
| C24 | C27 | H18 | H19 | 120.0° | 120.0° |
| C27 | C24 | O26 | H22 | 59.3° | 180.0° |
| O26 | C24 | C25 | H14 | 62.2° | 180.0° |
| O26 | C24 | C25 | H15 | 57.8° | 60.0° |
| O26 | C24 | C25 | H16 | 177.8° | 60.0° |
| O26 | C24 | C27 | H17 | 62.4° | 60.0° |
| O26 | C24 | C27 | H18 | 177.6° | 59.9° |
| O26 | C24 | C27 | H19 | 57.6° | 179.9° |
| C04 | C06 | C05 | C09 | 180.0° | 179.9° |
| C06 | C04 | C07 | C08 | 4.0° | 0.0° |
| C04 | C06 | C09 | C08 | 4.2° | 0.1° |
| C04 | C06 | C05 | H4 | 179.9° | 180.0° |
| C06 | C04 | C07 | H5 | 115.6° | 119.0° |
| C06 | C04 | C07 | H6 | 123.5° | 119.0° |
| C04 | C06 | C09 | H8 | 175.8° | 179.9° |
| C07 | C04 | C06 | C05 | 179.8° | 180.0° |
| C07 | C04 | C06 | C09 | 0.2° | 0.0° |
| C04 | C07 | C08 | H5 | 119.5° | 119.0° |
| C04 | C07 | C08 | H6 | 119.6° | 119.0° |
| C04 | C07 | C08 | C09 | 6.5° | 0.0° |
| C04 | C07 | H5 | H6 | 121.4° | 121.9° |
| C04 | C07 | C08 | H7 | 173.5° | 180.0° |
| C05 | C06 | C09 | C08 | 175.8° | 180.0° |
| C05 | C06 | C09 | H8 | 4.2° | 0.1° |
| C06 | C09 | C08 | C07 | 6.4° | 0.0° |
| C06 | C09 | C08 | H8 | 180.0° | 179.9° |
| C09 | C06 | C05 | H4 | 0.1° | 0.1° |
| C06 | C09 | C08 | H7 | 173.6° | 180.0° |
| C07 | C08 | C09 | H7 | 180.0° | 180.0° |
| C08 | C07 | H5 | H6 | 121.3° | 122.0° |
| C07 | C08 | C09 | H8 | 173.6° | 179.9° |
| C09 | C08 | C07 | H5 | 113.1° | 119.0° |
| C09 | C08 | C07 | H6 | 126.0° | 119.0° |
| H1 | C10 | C11 | H9 | 136.1° | 27.1° |
| H1 | C10 | C11 | H10 | 15.1° | 96.5° |
| H2 | C10 | C11 | H9 | 15.0° | 149.3° |
| H2 | C10 | C11 | H10 | 106.0° | 25.7° |
| H5 | C07 | C08 | H7 | 66.9° | 61.0° |
| H6 | C07 | C08 | H7 | 53.9° | 61.0° |
| H7 | C08 | C09 | H8 | 6.4° | 0.1° |
| H9 | C11 | C12 | H11 | 14.3° | 149.2° |
| H9 | C11 | C12 | H12 | 136.0° | 27.2° |
| H10 | C11 | C12 | H11 | 106.8° | 25.6° |
| H10 | C11 | C12 | H12 | 14.9° | 96.4° |
| H14 | C25 | H15 | H16 | 120.0° | 119.9° |
| H17 | C27 | H18 | H19 | 120.0° | 120.0° |
