RK1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.52Å | |
| C02 | N03 | sing | 1.47Å | 1.30Å | |
| C05 | C04 | sing | 1.53Å | 1.52Å | |
| C05 | N06 | sing | 1.46Å | 1.43Å | |
| C04 | N03 | sing | 1.47Å | 1.40Å | |
| N03 | C09 | sing | 1.47Å | 1.45Å | |
| N06 | C07 | doub | 1.27Å | 1.43Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C09 | C08 | sing | 1.53Å | 1.57Å | |
| C09 | C10 | sing | 1.53Å | 1.56Å | |
| C09 | C12 | sing | 1.51Å | 1.59Å | |
| C08 | C07 | sing | 1.50Å | 1.56Å | |
| N14 | C12 | sing | 1.35Å | 1.46Å | |
| N14 | C15 | sing | 1.47Å | 1.47Å | |
| C12 | O13 | doub | 1.21Å | 1.19Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.58Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C02 | H11 | sing | 1.09Å | 1.10Å | |
| C02 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H14 | sing | 1.09Å | 1.10Å | |
| C05 | H15 | sing | 1.09Å | 1.10Å | |
| C05 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.08Å | 1.08Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.08Å | 1.08Å | |
| C19 | H24 | sing | 1.08Å | 1.08Å | |
| N14 | H26 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | N03 | 114.4° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.4° |
| C02 | C01 | H9 | 109.5° | 109.4° |
| C02 | C01 | H10 | 109.5° | 109.5° |
| C01 | C02 | H11 | 108.2° | 109.5° |
| C01 | C02 | H12 | 108.2° | 109.4° |
| C02 | N03 | C04 | 113.8° | 111.0° |
| C02 | N03 | C09 | 118.5° | 111.0° |
| N03 | C02 | H11 | 108.2° | 109.4° |
| N03 | C02 | H12 | 108.2° | 109.5° |
| C04 | C05 | N06 | 113.3° | 111.2° |
| C05 | C04 | N03 | 117.6° | 108.2° |
| C05 | C04 | H13 | 107.4° | 109.7° |
| C05 | C04 | H14 | 107.4° | 109.7° |
| C04 | C05 | H15 | 108.5° | 109.1° |
| C04 | C05 | H16 | 108.5° | 109.1° |
| C05 | N06 | C07 | 117.5° | 125.5° |
| N06 | C05 | H15 | 108.5° | 109.1° |
| N06 | C05 | H16 | 108.5° | 109.1° |
| C04 | N03 | C09 | 116.0° | 110.5° |
| N03 | C04 | H13 | 107.4° | 109.7° |
| N03 | C04 | H14 | 107.4° | 109.7° |
| N03 | C09 | C08 | 114.7° | 107.7° |
| N03 | C09 | C10 | 115.8° | 109.8° |
| N03 | C09 | C12 | 106.7° | 109.9° |
| N06 | C07 | C08 | 117.7° | 122.8° |
| N06 | C07 | H17 | 121.2° | 118.6° |
| C11 | C10 | C09 | 116.1° | 109.5° |
| C11 | C10 | H1 | 107.8° | 109.5° |
| C11 | C10 | H2 | 107.8° | 109.4° |
| C10 | C11 | H20 | 109.5° | 109.5° |
| C10 | C11 | H21 | 109.5° | 109.5° |
| C10 | C11 | H22 | 109.5° | 109.4° |
| C08 | C09 | C10 | 105.3° | 109.8° |
| C08 | C09 | C12 | 107.2° | 109.8° |
| C09 | C08 | C07 | 118.9° | 110.3° |
| C09 | C08 | H18 | 107.1° | 109.4° |
| C09 | C08 | H19 | 107.1° | 109.2° |
| C10 | C09 | C12 | 106.5° | 109.8° |
| C09 | C10 | H1 | 107.8° | 109.5° |
| C09 | C10 | H2 | 107.8° | 109.5° |
| C09 | C12 | N14 | 120.9° | 120.0° |
| C09 | C12 | O13 | 119.3° | 120.1° |
| C08 | C07 | H17 | 121.1° | 118.6° |
| C07 | C08 | H18 | 107.1° | 109.3° |
| C07 | C08 | H19 | 107.1° | 109.3° |
| C12 | N14 | C15 | 121.4° | 120.0° |
| N14 | C12 | O13 | 119.8° | 120.0° |
| C12 | N14 | H26 | 119.3° | 120.0° |
| N14 | C15 | C16 | 111.0° | 109.4° |
| N14 | C15 | H3 | 109.1° | 109.4° |
| N14 | C15 | H4 | 109.1° | 109.4° |
| C15 | N14 | H26 | 119.3° | 120.0° |
| C19 | C18 | C17 | 119.7° | 120.0° |
| C18 | C19 | C20 | 119.9° | 119.9° |
| C19 | C18 | H23 | 120.2° | 119.9° |
| C18 | C19 | H24 | 120.0° | 120.1° |
| C18 | C17 | C16 | 120.8° | 120.0° |
| C18 | C17 | H5 | 119.6° | 120.0° |
| C17 | C18 | H23 | 120.2° | 120.0° |
| C19 | C20 | C21 | 120.4° | 120.1° |
| C19 | C20 | H6 | 119.8° | 120.0° |
| C20 | C19 | H24 | 120.1° | 120.0° |
| C17 | C16 | C21 | 119.3° | 120.0° |
| C17 | C16 | C15 | 119.7° | 120.0° |
| C16 | C17 | H5 | 119.6° | 120.0° |
| C20 | C21 | C16 | 120.0° | 120.0° |
| C21 | C20 | H6 | 119.8° | 119.9° |
| C20 | C21 | H7 | 120.0° | 120.0° |
| C21 | C16 | C15 | 121.0° | 120.0° |
| C16 | C21 | H7 | 120.1° | 120.0° |
| C16 | C15 | H3 | 109.1° | 109.5° |
| C16 | C15 | H4 | 109.1° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H10 | 109.5° | 109.4° |
| H11 | C02 | H12 | 109.5° | 109.4° |
| H13 | C04 | H14 | 109.4° | 109.7° |
| H15 | C05 | H16 | 109.5° | 109.1° |
| H18 | C08 | H19 | 109.4° | 109.3° |
| H20 | C11 | H21 | 109.5° | 109.4° |
| H20 | C11 | H22 | 109.5° | 109.5° |
| H21 | C11 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | N03 | H11 | 120.7° | 120.1° |
| C01 | C02 | N03 | H12 | 120.7° | 120.0° |
| C01 | C02 | N03 | C04 | 58.9° | 66.1° |
| C01 | C02 | N03 | C09 | 159.5° | 170.6° |
| C02 | C01 | H8 | H9 | 120.0° | 119.9° |
| C02 | C01 | H8 | H10 | 120.0° | 120.1° |
| C02 | C01 | H9 | H10 | 120.0° | 120.0° |
| C01 | C02 | H11 | H12 | 117.7° | 120.0° |
| C02 | N03 | C04 | C05 | 77.0° | 177.0° |
| C02 | N03 | C04 | C09 | 142.7° | 123.6° |
| C02 | N03 | C09 | C08 | 89.2° | 91.1° |
| C02 | N03 | C09 | C10 | 33.9° | 28.5° |
| C02 | N03 | C09 | C12 | 152.3° | 149.4° |
| N03 | C02 | C01 | H8 | 180.0° | 179.9° |
| N03 | C02 | C01 | H9 | 60.0° | 60.0° |
| N03 | C02 | C01 | H10 | 60.0° | 60.0° |
| N03 | C02 | H11 | H12 | 117.8° | 120.0° |
| C02 | N03 | C04 | H13 | 44.2° | 63.3° |
| C02 | N03 | C04 | H14 | 161.8° | 57.3° |
| C04 | C05 | N06 | H15 | 120.6° | 120.5° |
| C04 | C05 | N06 | H16 | 120.5° | 120.5° |
| C05 | C04 | N03 | H13 | 121.2° | 119.7° |
| C05 | C04 | N03 | H14 | 121.2° | 119.7° |
| C05 | C04 | N03 | C09 | 65.7° | 59.4° |
| C04 | C05 | N06 | C07 | 63.0° | 30.6° |
| C05 | C04 | H13 | H14 | 116.3° | 120.6° |
| C04 | C05 | H15 | H16 | 118.3° | 119.1° |
| N06 | C05 | C04 | N03 | 92.3° | 91.2° |
| C05 | N06 | C07 | C08 | 4.5° | 4.9° |
| N06 | C05 | C04 | H13 | 146.5° | 28.5° |
| N06 | C05 | C04 | H14 | 28.9° | 149.1° |
| N06 | C05 | H15 | H16 | 118.3° | 119.1° |
| C05 | N06 | C07 | H17 | 175.5° | 175.1° |
| C04 | N03 | C09 | C08 | 51.7° | 32.6° |
| C04 | N03 | C09 | C10 | 174.8° | 152.1° |
| C04 | N03 | C09 | C12 | 66.9° | 87.0° |
| C04 | N03 | C02 | H11 | 61.9° | 54.0° |
| C04 | N03 | C02 | H12 | 179.6° | 174.0° |
| N03 | C04 | H13 | H14 | 116.3° | 120.6° |
| N03 | C04 | C05 | H15 | 147.1° | 29.3° |
| N03 | C04 | C05 | H16 | 28.3° | 148.4° |
| N03 | C09 | C10 | C11 | 85.7° | 178.3° |
| N03 | C09 | C08 | C10 | 128.6° | 119.6° |
| N03 | C09 | C08 | C12 | 118.2° | 119.6° |
| N03 | C09 | C10 | C12 | 118.5° | 120.9° |
| N03 | C09 | C08 | C07 | 70.2° | 92.2° |
| N03 | C09 | C12 | N14 | 8.5° | 36.7° |
| N03 | C09 | C12 | O13 | 169.9° | 143.3° |
| N03 | C09 | C10 | H1 | 153.3° | 58.2° |
| N03 | C09 | C10 | H2 | 35.2° | 61.8° |
| C09 | N03 | C02 | H11 | 79.8° | 69.3° |
| C09 | N03 | C02 | H12 | 38.7° | 50.6° |
| C09 | N03 | C04 | H13 | 173.1° | 60.3° |
| C09 | N03 | C04 | H14 | 55.5° | 179.1° |
| N03 | C09 | C08 | H18 | 51.2° | 147.5° |
| N03 | C09 | C08 | H19 | 168.5° | 28.0° |
| N06 | C07 | C08 | C09 | 66.0° | 50.6° |
| N06 | C07 | C08 | H17 | 180.0° | 180.0° |
| C07 | N06 | C05 | H15 | 176.4° | 89.9° |
| C07 | N06 | C05 | H16 | 57.5° | 151.1° |
| N06 | C07 | C08 | H18 | 55.4° | 170.8° |
| N06 | C07 | C08 | H19 | 172.7° | 69.6° |
| C11 | C10 | C09 | C08 | 42.2° | 60.0° |
| C11 | C10 | C09 | H1 | 121.0° | 120.0° |
| C11 | C10 | C09 | H2 | 121.0° | 120.0° |
| C11 | C10 | C09 | C12 | 155.8° | 60.8° |
| C11 | C10 | H1 | H2 | 117.0° | 120.0° |
| C10 | C11 | H20 | H21 | 120.0° | 120.0° |
| C10 | C11 | H20 | H22 | 120.0° | 120.0° |
| C10 | C11 | H21 | H22 | 120.0° | 120.0° |
| C08 | C09 | C10 | C12 | 113.6° | 120.8° |
| C09 | C08 | C07 | H18 | 121.4° | 120.3° |
| C09 | C08 | C07 | H19 | 121.3° | 120.1° |
| C08 | C09 | C12 | N14 | 131.8° | 155.0° |
| C08 | C09 | C12 | O13 | 46.5° | 25.0° |
| C08 | C09 | C10 | H1 | 78.8° | 60.0° |
| C08 | C09 | C10 | H2 | 163.1° | 180.0° |
| C09 | C08 | C07 | H17 | 114.1° | 129.4° |
| C09 | C08 | H18 | H19 | 115.7° | 119.5° |
| C10 | C09 | C08 | C07 | 161.3° | 148.2° |
| C10 | C09 | C12 | N14 | 115.8° | 84.2° |
| C10 | C09 | C12 | O13 | 65.8° | 95.8° |
| C09 | C10 | H1 | H2 | 117.0° | 120.0° |
| C10 | C09 | C08 | H18 | 77.4° | 28.0° |
| C10 | C09 | C08 | H19 | 39.9° | 91.6° |
| C09 | C10 | C11 | H20 | 180.0° | 60.0° |
| C09 | C10 | C11 | H21 | 60.0° | 60.0° |
| C09 | C10 | C11 | H22 | 60.0° | 180.0° |
| C12 | C09 | C08 | C07 | 48.1° | 27.4° |
| C09 | C12 | N14 | O13 | 178.4° | 180.0° |
| C09 | C12 | N14 | C15 | 178.0° | 180.0° |
| C12 | C09 | C10 | H1 | 34.8° | 179.2° |
| C12 | C09 | C10 | H2 | 83.2° | 59.2° |
| C12 | C09 | C08 | H18 | 169.4° | 92.8° |
| C12 | C09 | C08 | H19 | 73.3° | 147.6° |
| C09 | C12 | N14 | H26 | 2.0° | 0.0° |
| C07 | C08 | H18 | H19 | 115.7° | 119.6° |
| C12 | N14 | C15 | H26 | 180.0° | 180.0° |
| C12 | N14 | C15 | C16 | 98.1° | 180.0° |
| C12 | N14 | C15 | H3 | 22.2° | 60.0° |
| C12 | N14 | C15 | H4 | 141.7° | 60.0° |
| C15 | N14 | C12 | O13 | 0.4° | 0.0° |
| N14 | C15 | C16 | C17 | 45.2° | 90.0° |
| N14 | C15 | C16 | C21 | 134.8° | 90.0° |
| N14 | C15 | C16 | H3 | 120.2° | 119.9° |
| N14 | C15 | C16 | H4 | 120.2° | 120.0° |
| N14 | C15 | H3 | H4 | 119.3° | 120.0° |
| O13 | C12 | N14 | H26 | 179.6° | 180.0° |
| C19 | C18 | C17 | H23 | 180.0° | 180.0° |
| C18 | C19 | C20 | H24 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 0.1° | 0.0° |
| C18 | C19 | C20 | C21 | 0.5° | 0.4° |
| C19 | C18 | C17 | H5 | 179.9° | 179.7° |
| C18 | C19 | C20 | H6 | 179.5° | 179.7° |
| C17 | C18 | C19 | C20 | 0.4° | 0.1° |
| C18 | C17 | C16 | H5 | 180.0° | 179.7° |
| C18 | C17 | C16 | C21 | 0.1° | 0.3° |
| C18 | C17 | C16 | C15 | 180.0° | 179.8° |
| C17 | C18 | C19 | H24 | 179.6° | 180.0° |
| C19 | C20 | C21 | H6 | 180.0° | 179.4° |
| C19 | C20 | C21 | C16 | 0.3° | 0.6° |
| C19 | C20 | C21 | H7 | 179.7° | 179.4° |
| C20 | C19 | C18 | H23 | 179.6° | 180.0° |
| C17 | C16 | C21 | C20 | 0.0° | 0.6° |
| C17 | C16 | C21 | C15 | 180.0° | 180.0° |
| C17 | C16 | C15 | H3 | 75.0° | 150.0° |
| C17 | C16 | C15 | H4 | 165.4° | 29.9° |
| C17 | C16 | C21 | H7 | 179.9° | 179.4° |
| C16 | C17 | C18 | H23 | 179.9° | 180.0° |
| C20 | C21 | C16 | H7 | 180.0° | 180.0° |
| C20 | C21 | C16 | C15 | 179.9° | 179.5° |
| C21 | C20 | C19 | H24 | 179.5° | 179.7° |
| C21 | C16 | C15 | H3 | 104.9° | 29.9° |
| C21 | C16 | C15 | H4 | 14.6° | 150.0° |
| C21 | C16 | C17 | H5 | 179.9° | 180.0° |
| C16 | C21 | C20 | H6 | 179.7° | 180.0° |
| C16 | C15 | H3 | H4 | 119.3° | 120.1° |
| C15 | C16 | C17 | H5 | 0.1° | 0.0° |
| C15 | C16 | C21 | H7 | 0.1° | 0.5° |
| C16 | C15 | N14 | H26 | 82.0° | 0.0° |
| H1 | C10 | C11 | H20 | 59.0° | 180.0° |
| H1 | C10 | C11 | H21 | 61.0° | 60.0° |
| H1 | C10 | C11 | H22 | 179.0° | 60.0° |
| H2 | C10 | C11 | H20 | 59.1° | 60.0° |
| H2 | C10 | C11 | H21 | 179.1° | 180.0° |
| H2 | C10 | C11 | H22 | 60.9° | 60.0° |
| H3 | C15 | N14 | H26 | 157.8° | 120.0° |
| H4 | C15 | N14 | H26 | 38.2° | 120.0° |
| H5 | C17 | C18 | H23 | 0.1° | 0.3° |
| H6 | C20 | C21 | H7 | 0.3° | 0.0° |
| H6 | C20 | C19 | H24 | 0.5° | 0.3° |
| H8 | C01 | H9 | H10 | 120.0° | 120.1° |
| H8 | C01 | C02 | H11 | 59.3° | 59.9° |
| H8 | C01 | C02 | H12 | 59.3° | 60.1° |
| H9 | C01 | C02 | H11 | 60.7° | 60.0° |
| H9 | C01 | C02 | H12 | 179.3° | 180.0° |
| H10 | C01 | C02 | H11 | 179.3° | 180.0° |
| H10 | C01 | C02 | H12 | 60.7° | 60.0° |
| H13 | C04 | C05 | H15 | 26.0° | 149.0° |
| H13 | C04 | C05 | H16 | 92.9° | 91.9° |
| H14 | C04 | C05 | H15 | 91.7° | 90.4° |
| H14 | C04 | C05 | H16 | 149.4° | 28.7° |
| H17 | C07 | C08 | H18 | 124.6° | 9.2° |
| H17 | C07 | C08 | H19 | 7.3° | 110.4° |
| H20 | C11 | H21 | H22 | 120.0° | 120.0° |
| H23 | C18 | C19 | H24 | 0.4° | 0.0° |
