6P0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | O22 | sing | 1.43Å | 1.43Å | |
| O22 | C19 | sing | 1.36Å | 1.43Å | |
| C20 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.52Å | |
| C01 | C03 | sing | 1.53Å | 1.51Å | |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C02 | sing | 1.51Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C02 | C14 | sing | 1.51Å | 1.53Å | |
| C14 | C15 | sing | 1.40Å | 1.43Å | Aromatic |
| C14 | N13 | doub | 1.31Å | 1.33Å | Aromatic |
| C15 | C11 | doub | 1.37Å | 1.44Å | Aromatic |
| N13 | N12 | sing | 1.40Å | 1.31Å | Aromatic |
| C11 | N12 | sing | 1.36Å | 1.33Å | Aromatic |
| C11 | C05 | sing | 1.48Å | 1.52Å | |
| C05 | C04 | doub | 1.37Å | 1.43Å | Aromatic |
| C05 | C06 | sing | 1.41Å | 1.44Å | Aromatic |
| C04 | N08 | sing | 1.35Å | 1.35Å | Aromatic |
| C06 | C10 | sing | 1.51Å | 1.53Å | |
| C06 | N07 | doub | 1.31Å | 1.32Å | Aromatic |
| N08 | C09 | sing | 1.47Å | 1.44Å | |
| N08 | N07 | sing | 1.40Å | 1.31Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C03 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å | |
| C09 | H18 | sing | 1.09Å | 1.10Å | |
| C09 | H19 | sing | 1.09Å | 1.10Å | |
| N12 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | O22 | C19 | 115.0° | 117.0° |
| O22 | C23 | H12 | 109.5° | 109.5° |
| O22 | C23 | H13 | 109.5° | 109.5° |
| O22 | C23 | H14 | 109.4° | 109.5° |
| O22 | C19 | C20 | 120.0° | 120.0° |
| O22 | C19 | C18 | 119.9° | 120.1° |
| C19 | C20 | C21 | 119.8° | 119.9° |
| C20 | C19 | C18 | 120.1° | 119.9° |
| C19 | C20 | H10 | 120.1° | 120.0° |
| C20 | C21 | C16 | 119.6° | 120.1° |
| C21 | C20 | H10 | 120.1° | 120.0° |
| C20 | C21 | H11 | 120.2° | 119.9° |
| C19 | C18 | C17 | 120.1° | 120.0° |
| C19 | C18 | H9 | 120.0° | 119.9° |
| C21 | C16 | C17 | 121.0° | 120.1° |
| C21 | C16 | C02 | 119.8° | 119.9° |
| C16 | C21 | H11 | 120.2° | 120.0° |
| C18 | C17 | C16 | 119.4° | 120.1° |
| C18 | C17 | H8 | 120.3° | 119.9° |
| C17 | C18 | H9 | 120.0° | 120.1° |
| C02 | C01 | C03 | 60.0° | 60.0° |
| C01 | C02 | C16 | 114.9° | 117.5° |
| C01 | C02 | C03 | 59.8° | 60.0° |
| C01 | C02 | C14 | 122.0° | 117.5° |
| C02 | C01 | H1 | 120.0° | 117.5° |
| C02 | C01 | H2 | 120.0° | 117.5° |
| C01 | C03 | C02 | 60.2° | 60.0° |
| C03 | C01 | H1 | 120.0° | 117.5° |
| C03 | C01 | H2 | 120.0° | 117.5° |
| C01 | C03 | H15 | 120.0° | 117.5° |
| C01 | C03 | H16 | 120.0° | 117.5° |
| C17 | C16 | C02 | 119.1° | 119.9° |
| C16 | C17 | H8 | 120.3° | 120.0° |
| C16 | C02 | C03 | 118.9° | 117.5° |
| C16 | C02 | C14 | 115.4° | 115.5° |
| C03 | C02 | C14 | 114.6° | 117.5° |
| C02 | C03 | H15 | 120.0° | 117.5° |
| C02 | C03 | H16 | 120.0° | 117.5° |
| C02 | C14 | C15 | 127.1° | 125.7° |
| C02 | C14 | N13 | 125.2° | 125.7° |
| C15 | C14 | N13 | 107.6° | 108.6° |
| C14 | C15 | C11 | 102.7° | 107.8° |
| C14 | C15 | H7 | 128.6° | 126.1° |
| C14 | N13 | N12 | 111.6° | 108.5° |
| C15 | C11 | N12 | 108.7° | 107.4° |
| C15 | C11 | C05 | 126.3° | 126.3° |
| C11 | C15 | H7 | 128.7° | 126.0° |
| N13 | N12 | C11 | 109.4° | 107.7° |
| N13 | N12 | H20 | 125.3° | 126.1° |
| N12 | C11 | C05 | 124.9° | 126.3° |
| C11 | N12 | H20 | 125.3° | 126.2° |
| C11 | C05 | C04 | 127.4° | 126.2° |
| C11 | C05 | C06 | 127.6° | 126.2° |
| C04 | C05 | C06 | 105.1° | 107.6° |
| C05 | C04 | N08 | 106.2° | 107.5° |
| C05 | C04 | H3 | 126.9° | 126.3° |
| C05 | C06 | C10 | 127.9° | 126.0° |
| C05 | C06 | N07 | 106.3° | 108.0° |
| C04 | N08 | C09 | 125.3° | 125.8° |
| C04 | N08 | N07 | 110.8° | 108.3° |
| N08 | C04 | H3 | 126.9° | 126.2° |
| C10 | C06 | N07 | 125.8° | 126.0° |
| C06 | C10 | H4 | 109.5° | 109.5° |
| C06 | C10 | H5 | 109.5° | 109.5° |
| C06 | C10 | H6 | 109.5° | 109.5° |
| C06 | N07 | N08 | 111.7° | 108.6° |
| C09 | N08 | N07 | 123.9° | 125.9° |
| N08 | C09 | H17 | 109.5° | 109.5° |
| N08 | C09 | H18 | 109.4° | 109.4° |
| N08 | C09 | H19 | 109.5° | 109.5° |
| H1 | C01 | H2 | 109.5° | 115.5° |
| H4 | C10 | H5 | 109.5° | 109.4° |
| H4 | C10 | H6 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.4° | 109.5° |
| H12 | C23 | H13 | 109.5° | 109.5° |
| H12 | C23 | H14 | 109.5° | 109.4° |
| H13 | C23 | H14 | 109.5° | 109.4° |
| H15 | C03 | H16 | 109.5° | 115.5° |
| H17 | C09 | H18 | 109.5° | 109.4° |
| H17 | C09 | H19 | 109.5° | 109.5° |
| H18 | C09 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | O22 | C19 | C20 | 4.7° | 0.0° |
| C23 | O22 | C19 | C18 | 174.5° | 180.0° |
| O22 | C23 | H12 | H13 | 120.0° | 120.1° |
| O22 | C23 | H12 | H14 | 120.0° | 120.0° |
| O22 | C23 | H13 | H14 | 120.0° | 120.0° |
| O22 | C19 | C20 | C18 | 179.1° | 180.0° |
| O22 | C19 | C20 | C21 | 179.8° | 179.7° |
| O22 | C19 | C18 | C17 | 179.8° | 180.0° |
| O22 | C19 | C18 | H9 | 0.2° | 0.1° |
| O22 | C19 | C20 | H10 | 0.1° | 0.0° |
| C19 | O22 | C23 | H12 | 180.0° | 180.0° |
| C19 | O22 | C23 | H13 | 60.0° | 60.0° |
| C19 | O22 | C23 | H14 | 60.0° | 60.0° |
| C19 | C20 | C21 | H10 | 180.0° | 179.7° |
| C19 | C20 | C21 | C16 | 0.3° | 0.5° |
| C20 | C19 | C18 | C17 | 0.7° | 0.1° |
| C20 | C19 | C18 | H9 | 179.3° | 180.0° |
| C19 | C20 | C21 | H11 | 179.8° | 180.0° |
| C21 | C20 | C19 | C18 | 0.7° | 0.2° |
| C20 | C21 | C16 | H11 | 180.0° | 179.5° |
| C20 | C21 | C16 | C17 | 0.2° | 0.5° |
| C20 | C21 | C16 | C02 | 179.9° | 179.7° |
| C19 | C18 | C17 | H9 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 0.2° | 0.0° |
| C19 | C18 | C17 | H8 | 179.8° | 180.0° |
| C18 | C19 | C20 | H10 | 179.2° | 179.9° |
| C21 | C16 | C17 | C18 | 0.3° | 0.3° |
| C21 | C16 | C02 | C01 | 54.3° | 6.3° |
| C21 | C16 | C17 | C02 | 179.6° | 179.8° |
| C21 | C16 | C02 | C03 | 122.1° | 75.0° |
| C21 | C16 | C02 | C14 | 95.7° | 139.3° |
| C21 | C16 | C17 | H8 | 179.8° | 179.8° |
| C16 | C21 | C20 | H10 | 179.7° | 179.8° |
| C18 | C17 | C16 | H8 | 180.0° | 180.0° |
| C18 | C17 | C16 | C02 | 179.9° | 180.0° |
| C02 | C01 | C03 | H1 | 109.5° | 107.5° |
| C02 | C01 | C03 | H2 | 109.5° | 107.5° |
| C01 | C02 | C16 | C17 | 126.0° | 173.9° |
| C01 | C02 | C16 | C03 | 67.8° | 68.6° |
| C01 | C02 | C16 | C14 | 150.1° | 145.6° |
| C01 | C02 | C03 | C14 | 114.0° | 107.5° |
| C01 | C02 | C14 | C15 | 129.6° | 74.6° |
| C01 | C02 | C14 | N13 | 47.8° | 105.8° |
| C02 | C01 | H1 | H2 | 144.7° | 145.7° |
| C02 | C01 | C03 | H15 | 109.5° | 107.5° |
| C02 | C01 | C03 | H16 | 109.5° | 107.5° |
| C03 | C01 | H1 | H2 | 144.7° | 145.7° |
| C01 | C03 | H15 | H16 | 144.6° | 145.7° |
| C17 | C16 | C02 | C03 | 58.2° | 105.3° |
| C17 | C16 | C02 | C14 | 83.9° | 40.5° |
| C16 | C17 | C18 | H9 | 179.8° | 180.0° |
| C17 | C16 | C21 | H11 | 179.8° | 180.0° |
| C16 | C02 | C03 | C14 | 142.4° | 145.1° |
| C16 | C02 | C14 | C15 | 18.1° | 71.1° |
| C16 | C02 | C14 | N13 | 164.5° | 108.6° |
| C16 | C02 | C01 | H1 | 0.9° | 0.1° |
| C16 | C02 | C01 | H2 | 140.2° | 145.0° |
| C02 | C16 | C17 | H8 | 0.1° | 0.0° |
| C02 | C16 | C21 | H11 | 0.1° | 0.2° |
| C16 | C02 | C03 | H15 | 6.0° | 0.1° |
| C16 | C02 | C03 | H16 | 147.0° | 145.0° |
| C03 | C02 | C14 | C15 | 161.9° | 143.2° |
| C03 | C02 | C14 | N13 | 20.7° | 37.2° |
| C02 | C03 | H15 | H16 | 144.6° | 145.6° |
| C02 | C14 | C15 | N13 | 177.8° | 179.7° |
| C02 | C14 | C15 | C11 | 178.3° | 180.0° |
| C02 | C14 | N13 | N12 | 179.0° | 179.9° |
| C14 | C02 | C01 | H1 | 148.8° | 145.0° |
| C14 | C02 | C01 | H2 | 7.7° | 0.0° |
| C02 | C14 | C15 | H7 | 1.7° | 0.1° |
| C14 | C02 | C03 | H15 | 136.4° | 145.0° |
| C14 | C02 | C03 | H16 | 4.5° | 0.0° |
| C14 | C15 | C11 | H7 | 180.0° | 179.9° |
| C15 | C14 | N13 | N12 | 1.2° | 0.5° |
| C14 | C15 | C11 | N12 | 0.3° | 0.0° |
| C14 | C15 | C11 | C05 | 179.6° | 179.8° |
| N13 | C14 | C15 | C11 | 0.6° | 0.3° |
| C14 | N13 | N12 | C11 | 1.4° | 0.5° |
| N13 | C14 | C15 | H7 | 179.5° | 179.6° |
| C14 | N13 | N12 | H20 | 178.6° | 179.5° |
| C15 | C11 | N12 | N13 | 1.0° | 0.3° |
| C15 | C11 | N12 | C05 | 179.3° | 179.8° |
| C15 | C11 | C05 | C04 | 28.1° | 39.7° |
| C15 | C11 | C05 | C06 | 151.4° | 140.2° |
| C15 | C11 | N12 | H20 | 179.0° | 179.7° |
| N13 | N12 | C11 | H20 | 180.0° | 180.0° |
| N13 | N12 | C11 | C05 | 179.7° | 180.0° |
| N12 | C11 | C05 | C04 | 151.1° | 140.0° |
| N12 | C11 | C05 | C06 | 29.4° | 40.0° |
| N12 | C11 | C15 | H7 | 179.7° | 179.9° |
| C11 | C05 | C04 | C06 | 179.6° | 179.9° |
| C11 | C05 | C04 | N08 | 179.3° | 180.0° |
| C11 | C05 | C06 | C10 | 0.8° | 0.1° |
| C11 | C05 | C06 | N07 | 179.5° | 180.0° |
| C11 | C05 | C04 | H3 | 0.6° | 0.3° |
| C05 | C11 | C15 | H7 | 0.4° | 0.3° |
| C05 | C11 | N12 | H20 | 0.3° | 0.0° |
| C05 | C04 | N08 | H3 | 180.0° | 179.7° |
| C04 | C05 | C06 | C10 | 179.6° | 180.0° |
| C04 | C05 | C06 | N07 | 0.1° | 0.1° |
| C05 | C04 | N08 | C09 | 179.5° | 179.7° |
| C05 | C04 | N08 | N07 | 0.3° | 0.0° |
| C06 | C05 | C04 | N08 | 0.2° | 0.0° |
| C05 | C06 | C10 | N07 | 179.6° | 179.9° |
| C05 | C06 | N07 | N08 | 0.2° | 0.1° |
| C06 | C05 | C04 | H3 | 179.8° | 179.7° |
| C05 | C06 | C10 | H4 | 179.6° | 90.0° |
| C05 | C06 | C10 | H5 | 59.6° | 150.1° |
| C05 | C06 | C10 | H6 | 60.3° | 30.0° |
| C04 | N08 | N07 | C06 | 0.3° | 0.1° |
| C04 | N08 | C09 | N07 | 179.0° | 179.6° |
| C04 | N08 | C09 | H17 | 179.0° | 90.1° |
| C04 | N08 | C09 | H18 | 61.0° | 150.0° |
| C04 | N08 | C09 | H19 | 59.0° | 30.0° |
| C10 | C06 | N07 | N08 | 179.9° | 180.0° |
| C06 | C10 | H4 | H5 | 120.0° | 120.0° |
| C06 | C10 | H4 | H6 | 120.0° | 120.0° |
| C06 | C10 | H5 | H6 | 120.0° | 120.0° |
| C06 | N07 | N08 | C09 | 179.5° | 179.7° |
| N07 | C06 | C10 | H4 | 0.0° | 89.9° |
| N07 | C06 | C10 | H5 | 120.0° | 30.0° |
| N07 | C06 | C10 | H6 | 120.0° | 150.1° |
| C09 | N08 | C04 | H3 | 0.5° | 0.0° |
| N08 | C09 | H17 | H18 | 120.0° | 119.9° |
| N08 | C09 | H17 | H19 | 120.0° | 120.0° |
| N08 | C09 | H18 | H19 | 120.0° | 120.0° |
| N07 | N08 | C04 | H3 | 179.7° | 179.7° |
| N07 | N08 | C09 | H17 | 0.0° | 90.3° |
| N07 | N08 | C09 | H18 | 120.0° | 29.6° |
| N07 | N08 | C09 | H19 | 120.0° | 149.6° |
| H1 | C01 | C03 | H15 | 0.0° | 0.0° |
| H1 | C01 | C03 | H16 | 141.0° | 145.0° |
| H2 | C01 | C03 | H15 | 141.0° | 145.0° |
| H2 | C01 | C03 | H16 | 0.1° | 0.0° |
| H4 | C10 | H5 | H6 | 120.0° | 120.0° |
| H8 | C17 | C18 | H9 | 0.2° | 0.0° |
| H10 | C20 | C21 | H11 | 0.3° | 0.3° |
| H12 | C23 | H13 | H14 | 120.0° | 119.9° |
| H17 | C09 | H18 | H19 | 120.0° | 120.0° |
