K7R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | sing | 1.53Å | 1.56Å | |
| C11 | C12 | sing | 1.53Å | 1.47Å | |
| C10 | N09 | sing | 1.47Å | 1.48Å | |
| C12 | C13 | sing | 1.53Å | 1.45Å | |
| N16 | N17 | sing | 1.40Å | 1.34Å | Aromatic |
| N16 | C15 | sing | 1.34Å | 1.31Å | Aromatic |
| N09 | C14 | sing | 1.47Å | 1.45Å | |
| N09 | C02 | sing | 1.35Å | 1.44Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| C13 | C15 | sing | 1.51Å | 1.52Å | |
| N17 | C18 | doub | 1.32Å | 1.31Å | Aromatic |
| C15 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| O01 | C02 | doub | 1.21Å | 1.16Å | |
| C02 | C03 | sing | 1.51Å | 1.52Å | |
| C18 | C23 | sing | 1.47Å | 1.35Å | Aromatic |
| C18 | N19 | sing | 1.34Å | 1.33Å | Aromatic |
| C23 | C22 | sing | 1.41Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.51Å | 1.54Å | |
| N19 | C20 | doub | 1.31Å | 1.28Å | Aromatic |
| C22 | C21 | doub | 1.36Å | 1.37Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | C06 | doub | 1.33Å | 1.39Å | Aromatic |
| C04 | C08 | doub | 1.33Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.38Å | Aromatic |
| C06 | S07 | sing | 1.76Å | 1.70Å | Aromatic |
| C08 | S07 | sing | 1.76Å | 1.72Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.08Å | 1.08Å | |
| C06 | H10 | sing | 1.08Å | 1.08Å | |
| C08 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| N16 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C11 | C12 | 121.6° | 109.4° |
| C11 | C10 | N09 | 111.4° | 108.8° |
| C11 | C10 | H1 | 109.0° | 109.7° |
| C11 | C10 | H2 | 109.0° | 109.7° |
| C10 | C11 | H12 | 106.3° | 109.5° |
| C10 | C11 | H13 | 106.4° | 109.5° |
| C11 | C12 | C13 | 109.9° | 109.6° |
| C12 | C11 | H12 | 106.4° | 109.5° |
| C12 | C11 | H13 | 106.3° | 109.5° |
| C11 | C12 | H14 | 109.4° | 109.5° |
| C11 | C12 | H15 | 109.3° | 109.5° |
| C10 | N09 | C14 | 106.5° | 118.7° |
| C10 | N09 | C02 | 129.6° | 120.6° |
| N09 | C10 | H1 | 109.0° | 109.6° |
| N09 | C10 | H2 | 109.0° | 109.5° |
| C12 | C13 | C14 | 110.5° | 109.3° |
| C12 | C13 | C15 | 93.3° | 109.5° |
| C12 | C13 | H3 | 110.4° | 109.5° |
| C13 | C12 | H14 | 109.4° | 109.4° |
| C13 | C12 | H15 | 109.4° | 109.5° |
| N17 | N16 | C15 | 109.5° | 110.0° |
| N16 | N17 | C18 | 108.9° | 109.1° |
| N17 | N16 | H18 | 125.3° | 125.0° |
| N16 | C15 | C13 | 128.4° | 126.1° |
| N16 | C15 | C23 | 106.8° | 107.8° |
| C15 | N16 | H18 | 125.2° | 125.0° |
| C14 | N09 | C02 | 123.8° | 120.7° |
| N09 | C14 | C13 | 107.5° | 108.8° |
| N09 | C14 | H16 | 110.0° | 109.6° |
| N09 | C14 | H17 | 109.9° | 109.6° |
| N09 | C02 | O01 | 121.2° | 120.0° |
| N09 | C02 | C03 | 119.6° | 120.0° |
| C14 | C13 | C15 | 122.3° | 109.5° |
| C14 | C13 | H3 | 109.6° | 109.5° |
| C13 | C14 | H16 | 110.0° | 109.6° |
| C13 | C14 | H17 | 110.0° | 109.6° |
| C13 | C15 | C23 | 124.6° | 126.1° |
| C15 | C13 | H3 | 109.5° | 109.5° |
| N17 | C18 | C23 | 107.6° | 106.6° |
| N17 | C18 | N19 | 130.0° | 134.5° |
| C15 | C23 | C18 | 107.2° | 106.5° |
| C15 | C23 | C22 | 132.8° | 135.0° |
| O01 | C02 | C03 | 119.2° | 120.0° |
| C02 | C03 | C04 | 106.3° | 109.4° |
| C02 | C03 | H7 | 110.3° | 109.5° |
| C02 | C03 | H8 | 110.3° | 109.4° |
| C23 | C18 | N19 | 122.4° | 119.0° |
| C18 | C23 | C22 | 120.0° | 118.5° |
| C18 | N19 | C20 | 119.0° | 121.2° |
| C23 | C22 | C21 | 115.6° | 118.1° |
| C23 | C22 | H6 | 122.2° | 121.0° |
| C03 | C04 | C05 | 120.6° | 122.5° |
| C03 | C04 | C08 | 123.3° | 122.5° |
| C04 | C03 | H7 | 110.3° | 109.5° |
| C04 | C03 | H8 | 110.3° | 109.5° |
| N19 | C20 | C21 | 121.9° | 122.6° |
| N19 | C20 | H4 | 119.1° | 118.7° |
| C22 | C21 | C20 | 121.2° | 120.7° |
| C22 | C21 | H5 | 119.4° | 119.7° |
| C21 | C22 | H6 | 122.2° | 120.9° |
| C04 | C05 | C06 | 114.4° | 114.9° |
| C05 | C04 | C08 | 116.1° | 115.0° |
| C04 | C05 | H9 | 122.8° | 122.6° |
| C05 | C06 | S07 | 106.5° | 109.6° |
| C06 | C05 | H9 | 122.8° | 122.5° |
| C05 | C06 | H10 | 126.7° | 125.2° |
| C04 | C08 | S07 | 104.8° | 109.6° |
| C04 | C08 | H11 | 127.6° | 125.2° |
| C21 | C20 | H4 | 119.0° | 118.7° |
| C20 | C21 | H5 | 119.4° | 119.6° |
| C06 | S07 | C08 | 98.2° | 91.0° |
| S07 | C06 | H10 | 126.7° | 125.2° |
| S07 | C08 | H11 | 127.6° | 125.2° |
| H1 | C10 | H2 | 109.5° | 109.6° |
| H7 | C03 | H8 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.4° |
| H16 | C14 | H17 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C11 | C12 | H12 | 121.7° | 120.0° |
| C10 | C11 | C12 | H13 | 121.7° | 119.9° |
| C11 | C10 | N09 | H1 | 120.3° | 119.8° |
| C11 | C10 | N09 | H2 | 120.3° | 119.9° |
| C10 | C11 | C12 | C13 | 28.2° | 61.4° |
| C11 | C10 | N09 | C14 | 49.1° | 53.6° |
| C11 | C10 | N09 | C02 | 126.7° | 126.5° |
| C11 | C10 | H1 | H2 | 119.1° | 120.5° |
| C10 | C11 | H12 | H13 | 114.6° | 120.0° |
| C10 | C11 | C12 | H14 | 91.9° | 178.6° |
| C10 | C11 | C12 | H15 | 148.3° | 58.7° |
| C12 | C11 | C10 | N09 | 29.6° | 54.6° |
| C11 | C12 | C13 | H14 | 120.1° | 120.0° |
| C11 | C12 | C13 | H15 | 120.1° | 120.1° |
| C11 | C12 | C13 | C14 | 47.5° | 61.4° |
| C11 | C12 | C13 | C15 | 173.9° | 178.7° |
| C12 | C11 | C10 | H1 | 149.8° | 174.4° |
| C12 | C11 | C10 | H2 | 90.7° | 65.2° |
| C11 | C12 | C13 | H3 | 73.9° | 58.6° |
| C12 | C11 | H12 | H13 | 114.5° | 120.1° |
| C11 | C12 | H14 | H15 | 119.8° | 119.9° |
| C10 | N09 | C14 | C02 | 176.1° | 180.0° |
| C10 | N09 | C14 | C13 | 72.2° | 53.6° |
| C10 | N09 | C02 | O01 | 3.3° | 180.0° |
| C10 | N09 | C02 | C03 | 175.9° | 0.0° |
| N09 | C10 | H1 | H2 | 119.1° | 120.2° |
| N09 | C10 | C11 | H12 | 151.2° | 174.6° |
| N09 | C10 | C11 | H13 | 92.1° | 65.4° |
| C10 | N09 | C14 | H16 | 168.1° | 66.2° |
| C10 | N09 | C14 | H17 | 47.4° | 173.5° |
| C12 | C13 | C15 | N16 | 65.0° | 60.2° |
| C12 | C13 | C14 | N09 | 73.8° | 54.7° |
| C12 | C13 | C14 | C15 | 108.0° | 120.0° |
| C12 | C13 | C14 | H3 | 121.9° | 120.0° |
| C12 | C13 | C15 | H3 | 113.0° | 120.1° |
| C12 | C13 | C15 | C23 | 122.4° | 120.1° |
| C13 | C12 | C11 | H12 | 149.9° | 178.6° |
| C13 | C12 | C11 | H13 | 93.5° | 58.6° |
| C13 | C12 | H14 | H15 | 119.8° | 120.0° |
| C12 | C13 | C14 | H16 | 166.5° | 65.2° |
| C12 | C13 | C14 | H17 | 45.9° | 174.5° |
| N17 | N16 | C15 | H18 | 180.0° | 179.9° |
| N17 | N16 | C15 | C13 | 175.4° | 180.0° |
| N17 | N16 | C15 | C23 | 1.7° | 0.3° |
| N16 | N17 | C18 | C23 | 0.5° | 0.0° |
| N16 | N17 | C18 | N19 | 179.8° | 179.8° |
| N16 | C15 | C13 | C14 | 51.9° | 59.6° |
| N16 | C15 | C13 | C23 | 172.7° | 179.7° |
| C15 | N16 | N17 | C18 | 0.8° | 0.2° |
| N16 | C15 | C23 | C18 | 2.0° | 0.3° |
| N16 | C15 | C23 | C22 | 179.9° | 179.7° |
| N16 | C15 | C13 | H3 | 178.0° | 179.7° |
| N09 | C14 | C13 | H16 | 119.7° | 119.8° |
| N09 | C14 | C13 | H17 | 119.7° | 119.9° |
| N09 | C14 | C13 | C15 | 178.2° | 174.6° |
| C14 | N09 | C02 | O01 | 178.5° | 0.1° |
| C14 | N09 | C02 | C03 | 0.7° | 180.0° |
| C14 | N09 | C10 | H1 | 169.4° | 173.4° |
| C14 | N09 | C10 | H2 | 71.2° | 66.3° |
| N09 | C14 | C13 | H3 | 48.1° | 65.3° |
| N09 | C14 | H16 | H17 | 120.9° | 120.3° |
| C02 | N09 | C14 | C13 | 103.9° | 126.4° |
| N09 | C02 | O01 | C03 | 179.2° | 179.9° |
| N09 | C02 | C03 | C04 | 95.1° | 180.0° |
| C02 | N09 | C10 | H1 | 6.4° | 6.6° |
| C02 | N09 | C10 | H2 | 113.0° | 113.6° |
| N09 | C02 | C03 | H7 | 145.4° | 60.0° |
| N09 | C02 | C03 | H8 | 24.4° | 60.1° |
| C02 | N09 | C14 | H16 | 15.8° | 113.7° |
| C02 | N09 | C14 | H17 | 136.4° | 6.6° |
| C14 | C13 | C15 | H3 | 130.2° | 120.1° |
| C14 | C13 | C15 | C23 | 120.8° | 120.1° |
| C14 | C13 | C12 | H14 | 72.6° | 178.6° |
| C14 | C13 | C12 | H15 | 167.5° | 58.7° |
| C13 | C14 | H16 | H17 | 120.9° | 120.3° |
| C13 | C15 | C23 | C18 | 176.0° | 180.0° |
| C13 | C15 | C23 | C22 | 6.1° | 0.1° |
| C15 | C13 | C12 | H14 | 53.8° | 58.7° |
| C15 | C13 | C12 | H15 | 66.1° | 61.2° |
| C15 | C13 | C14 | H16 | 58.5° | 54.8° |
| C15 | C13 | C14 | H17 | 62.2° | 65.5° |
| C13 | C15 | N16 | H18 | 4.7° | 0.1° |
| N17 | C18 | C23 | C15 | 1.5° | 0.2° |
| N17 | C18 | C23 | N19 | 179.7° | 179.8° |
| N17 | C18 | C23 | C22 | 179.7° | 179.8° |
| N17 | C18 | N19 | C20 | 178.9° | 179.8° |
| C18 | N17 | N16 | H18 | 179.3° | 179.9° |
| C15 | C23 | C18 | C22 | 178.2° | 180.0° |
| C15 | C23 | C18 | N19 | 178.8° | 180.0° |
| C15 | C23 | C22 | C21 | 177.8° | 180.0° |
| C23 | C15 | C13 | H3 | 9.3° | 0.0° |
| C15 | C23 | C22 | H6 | 2.2° | 0.0° |
| C23 | C15 | N16 | H18 | 178.4° | 179.8° |
| O01 | C02 | C03 | C04 | 84.2° | 0.1° |
| O01 | C02 | C03 | H7 | 35.4° | 119.9° |
| O01 | C02 | C03 | H8 | 156.3° | 120.0° |
| C02 | C03 | C04 | H7 | 119.5° | 120.0° |
| C02 | C03 | C04 | H8 | 119.5° | 119.9° |
| C02 | C03 | C04 | C05 | 25.9° | 89.7° |
| C02 | C03 | C04 | C08 | 152.9° | 90.0° |
| C02 | C03 | H7 | H8 | 121.5° | 120.0° |
| C23 | C18 | N19 | C20 | 1.4° | 0.1° |
| C18 | C23 | C22 | C21 | 0.1° | 0.1° |
| C18 | C23 | C22 | H6 | 179.9° | 180.0° |
| N19 | C18 | C23 | C22 | 0.5° | 0.0° |
| C18 | N19 | C20 | C21 | 1.8° | 0.1° |
| C18 | N19 | C20 | H4 | 178.2° | 180.0° |
| C23 | C22 | C21 | H6 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 0.5° | 0.1° |
| C23 | C22 | C21 | H5 | 179.5° | 180.0° |
| C03 | C04 | C05 | C08 | 179.0° | 179.8° |
| C03 | C04 | C05 | C06 | 178.1° | 180.0° |
| C03 | C04 | C08 | S07 | 178.4° | 179.9° |
| C04 | C03 | H7 | H8 | 121.5° | 120.0° |
| C03 | C04 | C05 | H9 | 1.9° | 0.0° |
| C03 | C04 | C08 | H11 | 1.6° | 0.0° |
| N19 | C20 | C21 | C22 | 1.4° | 0.0° |
| N19 | C20 | C21 | H4 | 180.0° | 180.0° |
| N19 | C20 | C21 | H5 | 178.6° | 179.9° |
| C22 | C21 | C20 | H5 | 180.0° | 179.9° |
| C22 | C21 | C20 | H4 | 178.5° | 180.0° |
| C04 | C05 | C06 | H9 | 180.0° | 180.0° |
| C04 | C05 | C06 | S07 | 0.8° | 0.0° |
| C05 | C04 | C08 | S07 | 0.5° | 0.3° |
| C05 | C04 | C03 | H7 | 93.6° | 150.3° |
| C05 | C04 | C03 | H8 | 145.4° | 30.2° |
| C04 | C05 | C06 | H10 | 179.2° | 180.0° |
| C05 | C04 | C08 | H11 | 179.5° | 179.7° |
| C06 | C05 | C04 | C08 | 0.9° | 0.2° |
| C05 | C06 | S07 | H10 | 180.0° | 180.0° |
| C05 | C06 | S07 | C08 | 0.4° | 0.2° |
| C04 | C08 | S07 | C06 | 0.1° | 0.3° |
| C04 | C08 | S07 | H11 | 180.0° | 179.9° |
| C08 | C04 | C03 | H7 | 87.6° | 30.0° |
| C08 | C04 | C03 | H8 | 33.4° | 150.0° |
| C08 | C04 | C05 | H9 | 179.1° | 179.8° |
| C20 | C21 | C22 | H6 | 179.4° | 180.0° |
| S07 | C06 | C05 | H9 | 179.3° | 180.0° |
| C06 | S07 | C08 | H11 | 179.9° | 179.8° |
| C08 | S07 | C06 | H10 | 179.6° | 179.8° |
| H1 | C10 | C11 | H12 | 88.5° | 65.6° |
| H1 | C10 | C11 | H13 | 28.2° | 54.4° |
| H2 | C10 | C11 | H12 | 30.9° | 54.9° |
| H2 | C10 | C11 | H13 | 147.6° | 174.9° |
| H3 | C13 | C12 | H14 | 166.0° | 61.4° |
| H3 | C13 | C12 | H15 | 46.1° | 178.7° |
| H3 | C13 | C14 | H16 | 71.6° | 174.9° |
| H3 | C13 | C14 | H17 | 167.7° | 54.6° |
| H4 | C20 | C21 | H5 | 1.4° | 0.1° |
| H5 | C21 | C22 | H6 | 0.5° | 0.1° |
| H9 | C05 | C06 | H10 | 0.7° | 0.0° |
| H12 | C11 | C12 | H14 | 29.8° | 58.6° |
| H12 | C11 | C12 | H15 | 90.1° | 61.3° |
| H13 | C11 | C12 | H14 | 146.4° | 61.5° |
| H13 | C11 | C12 | H15 | 26.6° | 178.6° |
