R0D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N06 | C07 | doub | 1.29Å | 1.47Å | |
| N06 | C05 | sing | 1.37Å | 1.37Å | |
| C07 | C08 | sing | 1.51Å | 1.56Å | |
| C04 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C26 | sing | 1.40Å | 1.42Å | Aromatic |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C25 | C08 | sing | 1.53Å | 1.52Å | |
| C24 | N11 | sing | 1.47Å | 1.47Å | |
| C03 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C26 | sing | 1.51Å | 1.52Å | |
| C08 | C09 | sing | 1.52Å | 1.53Å | |
| C26 | C27 | doub | 1.37Å | 1.38Å | Aromatic |
| C02 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C02 | CL01 | sing | 1.74Å | 1.72Å | |
| N11 | C10 | sing | 1.47Å | 1.49Å | |
| N11 | C12 | sing | 1.35Å | 1.41Å | |
| C09 | C10 | sing | 1.53Å | 1.55Å | |
| O23 | C12 | doub | 1.21Å | 1.22Å | |
| C12 | C13 | sing | 1.51Å | 1.55Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | O22 | sing | 1.43Å | 1.44Å | |
| C14 | O15 | sing | 1.43Å | 1.43Å | |
| O22 | C21 | sing | 1.36Å | 1.39Å | |
| O15 | C16 | sing | 1.36Å | 1.37Å | |
| C21 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.08Å | 1.08Å | |
| C04 | H9 | sing | 1.08Å | 1.08Å | |
| C07 | H10 | sing | 1.08Å | 1.08Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | N06 | C05 | 111.0° | 114.0° |
| N06 | C07 | C08 | 105.9° | 107.5° |
| N06 | C07 | H10 | 127.1° | 126.2° |
| N06 | C05 | C04 | 128.0° | 131.3° |
| N06 | C05 | C26 | 109.6° | 110.0° |
| C07 | C08 | C25 | 113.3° | 110.3° |
| C07 | C08 | C26 | 101.4° | 103.6° |
| C07 | C08 | C09 | 110.7° | 110.5° |
| C08 | C07 | H10 | 127.1° | 126.3° |
| C05 | C04 | C03 | 118.2° | 120.0° |
| C04 | C05 | C26 | 122.4° | 118.7° |
| C05 | C04 | H9 | 120.9° | 120.0° |
| C04 | C03 | C02 | 118.9° | 120.5° |
| C04 | C03 | H8 | 120.6° | 119.7° |
| C03 | C04 | H9 | 120.9° | 120.0° |
| C05 | C26 | C08 | 110.7° | 104.9° |
| C05 | C26 | C27 | 118.6° | 121.0° |
| C24 | C25 | C08 | 116.9° | 109.4° |
| C25 | C24 | N11 | 112.9° | 108.7° |
| C25 | C24 | H6 | 108.6° | 109.6° |
| C25 | C24 | H7 | 108.6° | 109.7° |
| C24 | C25 | H17 | 107.6° | 109.5° |
| C24 | C25 | H18 | 107.6° | 109.5° |
| C25 | C08 | C26 | 110.2° | 110.7° |
| C25 | C08 | C09 | 109.0° | 110.8° |
| C08 | C25 | H17 | 107.6° | 109.5° |
| C08 | C25 | H18 | 107.6° | 109.5° |
| C24 | N11 | C10 | 111.3° | 118.8° |
| C24 | N11 | C12 | 124.5° | 120.6° |
| N11 | C24 | H6 | 108.6° | 109.6° |
| N11 | C24 | H7 | 108.6° | 109.6° |
| C03 | C02 | C27 | 123.7° | 119.9° |
| C03 | C02 | CL01 | 117.7° | 120.1° |
| C02 | C03 | H8 | 120.6° | 119.7° |
| C26 | C08 | C09 | 112.1° | 110.7° |
| C08 | C26 | C27 | 130.7° | 134.1° |
| C08 | C09 | C10 | 115.4° | 109.4° |
| C08 | C09 | H11 | 108.0° | 109.5° |
| C08 | C09 | H12 | 108.0° | 109.5° |
| C26 | C27 | C02 | 118.3° | 119.9° |
| C26 | C27 | H19 | 120.9° | 120.0° |
| C27 | C02 | CL01 | 118.7° | 120.0° |
| C02 | C27 | H19 | 120.9° | 120.1° |
| C10 | N11 | C12 | 124.1° | 120.6° |
| N11 | C10 | C09 | 112.8° | 108.9° |
| N11 | C10 | H1 | 108.6° | 109.6° |
| N11 | C10 | H2 | 108.6° | 109.6° |
| N11 | C12 | O23 | 118.8° | 120.0° |
| N11 | C12 | C13 | 122.2° | 120.0° |
| C09 | C10 | H1 | 108.6° | 109.6° |
| C09 | C10 | H2 | 108.6° | 109.6° |
| C10 | C09 | H11 | 108.0° | 109.5° |
| C10 | C09 | H12 | 108.0° | 109.4° |
| O23 | C12 | C13 | 119.0° | 120.0° |
| C12 | C13 | C14 | 111.2° | 109.7° |
| C12 | C13 | O22 | 110.6° | 109.7° |
| C12 | C13 | H3 | 109.2° | 109.8° |
| C14 | C13 | O22 | 106.0° | 108.2° |
| C13 | C14 | O15 | 109.7° | 108.2° |
| C14 | C13 | H3 | 109.2° | 109.8° |
| C13 | C14 | H13 | 109.4° | 109.7° |
| C13 | C14 | H14 | 109.4° | 109.8° |
| C13 | O22 | C21 | 113.2° | 116.7° |
| O22 | C13 | H3 | 110.7° | 109.7° |
| C14 | O15 | C16 | 115.7° | 116.7° |
| O15 | C14 | H13 | 109.4° | 109.7° |
| O15 | C14 | H14 | 109.4° | 109.7° |
| O22 | C21 | C16 | 121.8° | 120.8° |
| O22 | C21 | C20 | 120.1° | 119.4° |
| O15 | C16 | C21 | 120.4° | 120.8° |
| O15 | C16 | C17 | 116.8° | 119.4° |
| C16 | C21 | C20 | 118.1° | 119.8° |
| C21 | C16 | C17 | 122.8° | 119.8° |
| C21 | C20 | C19 | 119.5° | 120.1° |
| C21 | C20 | H5 | 120.3° | 119.9° |
| C16 | C17 | C18 | 118.5° | 120.1° |
| C16 | C17 | H4 | 120.8° | 120.0° |
| C20 | C19 | C18 | 121.3° | 120.1° |
| C19 | C20 | H5 | 120.2° | 120.0° |
| C20 | C19 | H16 | 119.3° | 120.0° |
| C17 | C18 | C19 | 119.8° | 120.1° |
| C18 | C17 | H4 | 120.7° | 119.9° |
| C17 | C18 | H15 | 120.1° | 120.0° |
| C19 | C18 | H15 | 120.1° | 120.0° |
| C18 | C19 | H16 | 119.4° | 119.9° |
| H1 | C10 | H2 | 109.5° | 109.6° |
| H6 | C24 | H7 | 109.5° | 109.6° |
| H11 | C09 | H12 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.7° |
| H17 | C25 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N06 | C07 | C08 | H10 | 180.0° | 180.0° |
| C07 | N06 | C05 | C04 | 172.6° | 179.9° |
| C07 | N06 | C05 | C26 | 7.3° | 0.2° |
| N06 | C07 | C08 | C25 | 107.3° | 118.5° |
| N06 | C07 | C08 | C26 | 10.8° | 0.0° |
| N06 | C07 | C08 | C09 | 130.0° | 118.6° |
| C05 | N06 | C07 | C08 | 11.6° | 0.1° |
| N06 | C05 | C04 | C26 | 179.8° | 179.9° |
| N06 | C05 | C04 | C03 | 179.9° | 179.9° |
| N06 | C05 | C26 | C08 | 0.4° | 0.2° |
| N06 | C05 | C26 | C27 | 179.9° | 179.9° |
| N06 | C05 | C04 | H9 | 0.1° | 0.1° |
| C05 | N06 | C07 | H10 | 168.4° | 179.9° |
| C07 | C08 | C26 | C05 | 7.1° | 0.1° |
| C07 | C08 | C25 | C24 | 79.6° | 62.7° |
| C07 | C08 | C25 | C26 | 112.9° | 114.1° |
| C07 | C08 | C25 | C09 | 123.7° | 122.7° |
| C07 | C08 | C26 | C09 | 118.1° | 118.4° |
| C07 | C08 | C26 | C27 | 173.4° | 179.9° |
| C07 | C08 | C09 | C10 | 80.8° | 62.8° |
| C07 | C08 | C09 | H11 | 158.4° | 57.2° |
| C07 | C08 | C09 | H12 | 40.1° | 177.3° |
| C07 | C08 | C25 | H17 | 159.4° | 177.3° |
| C07 | C08 | C25 | H18 | 41.5° | 57.3° |
| C05 | C04 | C03 | H9 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 0.0° | 0.1° |
| C04 | C05 | C26 | C08 | 179.8° | 179.9° |
| C04 | C05 | C26 | C27 | 0.2° | 0.0° |
| C05 | C04 | C03 | H8 | 180.0° | 179.9° |
| C03 | C04 | C05 | C26 | 0.1° | 0.0° |
| C04 | C03 | C02 | H8 | 180.0° | 180.0° |
| C04 | C03 | C02 | C27 | 0.0° | 0.0° |
| C04 | C03 | C02 | CL01 | 180.0° | 180.0° |
| C05 | C26 | C08 | C25 | 113.2° | 118.2° |
| C05 | C26 | C08 | C27 | 179.5° | 179.9° |
| C05 | C26 | C08 | C09 | 125.2° | 118.6° |
| C05 | C26 | C27 | C02 | 0.2° | 0.1° |
| C26 | C05 | C04 | H9 | 179.9° | 180.0° |
| C05 | C26 | C27 | H19 | 179.8° | 179.9° |
| C24 | C25 | C08 | H17 | 121.0° | 120.0° |
| C24 | C25 | C08 | H18 | 121.1° | 119.9° |
| C25 | C24 | N11 | H6 | 120.5° | 119.8° |
| C25 | C24 | N11 | H7 | 120.5° | 119.9° |
| C24 | C25 | C08 | C26 | 167.5° | 176.8° |
| C24 | C25 | C08 | C09 | 44.1° | 60.0° |
| C25 | C24 | N11 | C10 | 53.4° | 54.2° |
| C25 | C24 | N11 | C12 | 125.9° | 125.8° |
| C25 | C24 | H6 | H7 | 118.5° | 120.4° |
| C24 | C25 | H17 | H18 | 116.6° | 120.1° |
| C08 | C25 | C24 | N11 | 50.4° | 53.9° |
| C25 | C08 | C26 | C09 | 121.5° | 123.3° |
| C25 | C08 | C26 | C27 | 66.2° | 61.8° |
| C25 | C08 | C09 | C10 | 44.5° | 59.8° |
| C08 | C25 | C24 | H6 | 70.1° | 65.9° |
| C08 | C25 | C24 | H7 | 170.9° | 173.7° |
| C25 | C08 | C07 | H10 | 72.7° | 61.5° |
| C25 | C08 | C09 | H11 | 76.4° | 179.9° |
| C25 | C08 | C09 | H12 | 165.4° | 60.1° |
| C08 | C25 | H17 | H18 | 116.6° | 120.0° |
| C24 | N11 | C10 | C12 | 179.3° | 180.0° |
| C24 | N11 | C10 | C09 | 54.5° | 54.1° |
| C24 | N11 | C12 | O23 | 0.6° | 0.0° |
| C24 | N11 | C12 | C13 | 179.8° | 180.0° |
| C24 | N11 | C10 | H1 | 66.0° | 173.9° |
| C24 | N11 | C10 | H2 | 175.0° | 65.8° |
| N11 | C24 | H6 | H7 | 118.4° | 120.3° |
| N11 | C24 | C25 | H17 | 70.6° | 66.1° |
| N11 | C24 | C25 | H18 | 171.5° | 173.8° |
| C03 | C02 | C27 | C26 | 0.1° | 0.0° |
| C03 | C02 | C27 | CL01 | 180.0° | 180.0° |
| C02 | C03 | C04 | H9 | 180.0° | 180.0° |
| C03 | C02 | C27 | H19 | 179.9° | 180.0° |
| C08 | C26 | C27 | C02 | 179.7° | 179.9° |
| C26 | C08 | C09 | C10 | 166.8° | 177.0° |
| C26 | C08 | C07 | H10 | 169.2° | 180.0° |
| C26 | C08 | C09 | H11 | 45.9° | 57.0° |
| C26 | C08 | C09 | H12 | 72.4° | 63.1° |
| C26 | C08 | C25 | H17 | 46.5° | 63.2° |
| C26 | C08 | C25 | H18 | 71.4° | 56.9° |
| C08 | C26 | C27 | H19 | 0.3° | 0.2° |
| C09 | C08 | C26 | C27 | 55.3° | 61.5° |
| C08 | C09 | C10 | N11 | 51.7° | 53.7° |
| C08 | C09 | C10 | H11 | 120.9° | 120.0° |
| C08 | C09 | C10 | H12 | 120.8° | 120.0° |
| C08 | C09 | C10 | H1 | 68.8° | 173.5° |
| C08 | C09 | C10 | H2 | 172.2° | 66.2° |
| C09 | C08 | C07 | H10 | 50.0° | 61.4° |
| C08 | C09 | H11 | H12 | 117.3° | 120.0° |
| C09 | C08 | C25 | H17 | 76.9° | 60.0° |
| C09 | C08 | C25 | H18 | 165.2° | 179.9° |
| C26 | C27 | C02 | H19 | 180.0° | 180.0° |
| C26 | C27 | C02 | CL01 | 179.9° | 179.9° |
| C27 | C02 | C03 | H8 | 180.0° | 180.0° |
| CL01 | C02 | C03 | H8 | 0.0° | 0.0° |
| CL01 | C02 | C27 | H19 | 0.1° | 0.1° |
| N11 | C10 | C09 | H1 | 120.5° | 119.8° |
| N11 | C10 | C09 | H2 | 120.5° | 119.8° |
| C10 | N11 | C12 | O23 | 179.8° | 180.0° |
| C10 | N11 | C12 | C13 | 0.6° | 0.0° |
| N11 | C10 | H1 | H2 | 118.5° | 120.2° |
| C10 | N11 | C24 | H6 | 67.1° | 65.6° |
| C10 | N11 | C24 | H7 | 173.9° | 174.0° |
| N11 | C10 | C09 | H11 | 69.2° | 173.7° |
| N11 | C10 | C09 | H12 | 172.6° | 66.3° |
| C12 | N11 | C10 | C09 | 124.8° | 125.9° |
| N11 | C12 | O23 | C13 | 179.6° | 180.0° |
| N11 | C12 | C13 | C14 | 169.9° | 65.1° |
| N11 | C12 | C13 | O22 | 72.7° | 176.2° |
| C12 | N11 | C10 | H1 | 114.7° | 6.1° |
| C12 | N11 | C10 | H2 | 4.3° | 114.2° |
| N11 | C12 | C13 | H3 | 49.4° | 55.6° |
| C12 | N11 | C24 | H6 | 113.6° | 114.4° |
| C12 | N11 | C24 | H7 | 5.4° | 6.0° |
| C09 | C10 | H1 | H2 | 118.4° | 120.4° |
| C10 | C09 | H11 | H12 | 117.3° | 120.0° |
| O23 | C12 | C13 | C14 | 9.6° | 115.0° |
| O23 | C12 | C13 | O22 | 107.8° | 3.7° |
| O23 | C12 | C13 | H3 | 130.2° | 124.3° |
| C12 | C13 | C14 | O22 | 120.2° | 119.6° |
| C12 | C13 | C14 | H3 | 120.5° | 120.7° |
| C12 | C13 | O22 | H3 | 121.1° | 120.6° |
| C12 | C13 | C14 | O15 | 175.3° | 179.4° |
| C12 | C13 | O22 | C21 | 173.8° | 166.0° |
| C12 | C13 | C14 | H13 | 55.3° | 61.0° |
| C12 | C13 | C14 | H14 | 64.7° | 59.7° |
| C14 | C13 | O22 | H3 | 118.3° | 119.7° |
| C13 | C14 | O15 | H13 | 120.0° | 119.6° |
| C13 | C14 | O15 | H14 | 120.0° | 119.7° |
| C14 | C13 | O22 | C21 | 53.2° | 46.3° |
| C13 | C14 | O15 | C16 | 44.0° | 46.3° |
| C13 | C14 | H13 | H14 | 119.9° | 120.7° |
| O22 | C13 | C14 | O15 | 64.5° | 59.8° |
| C13 | O22 | C21 | C16 | 23.6° | 17.5° |
| C13 | O22 | C21 | C20 | 156.4° | 162.8° |
| O22 | C13 | C14 | H13 | 175.4° | 179.4° |
| O22 | C13 | C14 | H14 | 55.5° | 60.0° |
| C14 | O15 | C16 | C21 | 12.1° | 17.4° |
| C14 | O15 | C16 | C17 | 168.1° | 162.9° |
| O15 | C14 | C13 | H3 | 54.7° | 59.9° |
| O15 | C14 | H13 | H14 | 119.9° | 120.6° |
| O22 | C21 | C16 | O15 | 0.2° | 0.6° |
| O22 | C21 | C16 | C20 | 180.0° | 179.8° |
| O22 | C21 | C16 | C17 | 179.9° | 179.7° |
| O22 | C21 | C20 | C19 | 179.9° | 179.7° |
| C21 | O22 | C13 | H3 | 65.1° | 73.4° |
| O22 | C21 | C20 | H5 | 0.1° | 0.3° |
| O15 | C16 | C21 | C17 | 179.7° | 179.7° |
| O15 | C16 | C21 | C20 | 179.8° | 179.6° |
| O15 | C16 | C17 | C18 | 179.7° | 179.6° |
| O15 | C16 | C17 | H4 | 0.3° | 0.4° |
| C16 | O15 | C14 | H13 | 164.0° | 165.9° |
| C16 | O15 | C14 | H14 | 76.1° | 73.4° |
| C16 | C21 | C20 | C19 | 0.1° | 0.1° |
| C21 | C16 | C17 | C18 | 0.0° | 0.1° |
| C21 | C16 | C17 | H4 | 180.0° | 179.9° |
| C16 | C21 | C20 | H5 | 179.9° | 179.9° |
| C20 | C21 | C16 | C17 | 0.1° | 0.1° |
| C21 | C20 | C19 | H5 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 0.0° | 0.0° |
| C21 | C20 | C19 | H16 | 180.0° | 180.0° |
| C16 | C17 | C18 | H4 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.0° |
| C16 | C17 | C18 | H15 | 179.9° | 180.0° |
| C20 | C19 | C18 | C17 | 0.1° | 0.0° |
| C20 | C19 | C18 | H16 | 180.0° | 180.0° |
| C20 | C19 | C18 | H15 | 179.9° | 179.9° |
| C17 | C18 | C19 | H15 | 180.0° | 180.0° |
| C17 | C18 | C19 | H16 | 179.9° | 179.9° |
| C19 | C18 | C17 | H4 | 179.9° | 180.0° |
| C18 | C19 | C20 | H5 | 180.0° | 180.0° |
| H1 | C10 | C09 | H11 | 170.3° | 66.5° |
| H1 | C10 | C09 | H12 | 52.1° | 53.5° |
| H2 | C10 | C09 | H11 | 51.3° | 53.8° |
| H2 | C10 | C09 | H12 | 66.9° | 173.8° |
| H3 | C13 | C14 | H13 | 65.3° | 59.7° |
| H3 | C13 | C14 | H14 | 174.8° | 179.6° |
| H4 | C17 | C18 | H15 | 0.1° | 0.0° |
| H5 | C20 | C19 | H16 | 0.0° | 0.0° |
| H6 | C24 | C25 | H17 | 168.9° | 174.1° |
| H6 | C24 | C25 | H18 | 51.0° | 54.0° |
| H7 | C24 | C25 | H17 | 49.9° | 53.7° |
| H7 | C24 | C25 | H18 | 68.0° | 66.4° |
| H8 | C03 | C04 | H9 | 0.0° | 0.0° |
| H15 | C18 | C19 | H16 | 0.1° | 0.1° |
