4N0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C11 | doub | 1.21Å | 1.27Å | |
| C11 | C10 | sing | 1.51Å | 1.48Å | |
| C11 | N13 | sing | 1.35Å | 1.40Å | |
| C10 | C09 | sing | 1.53Å | 1.55Å | |
| N13 | C14 | sing | 1.40Å | 1.44Å | |
| O08 | C07 | doub | 1.21Å | 1.26Å | |
| C09 | C07 | sing | 1.51Å | 1.57Å | |
| C09 | C19 | sing | 1.51Å | 1.56Å | |
| C14 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.43Å | Aromatic |
| C07 | N06 | sing | 1.35Å | 1.41Å | |
| C19 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| N06 | C05 | sing | 1.40Å | 1.46Å | |
| C18 | C17 | doub | 1.38Å | 1.42Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | C04 | doub | 1.39Å | 1.40Å | Aromatic |
| C05 | C20 | sing | 1.39Å | 1.42Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C02 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | I01 | sing | 2.10Å | 2.05Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C09 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | 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 | |
| N06 | H12 | sing | 0.97Å | 1.00Å | |
| N13 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C11 | C10 | 120.8° | 119.6° |
| O12 | C11 | N13 | 114.6° | 119.6° |
| C10 | C11 | N13 | 124.7° | 120.8° |
| C11 | C10 | C09 | 114.8° | 109.9° |
| C11 | C10 | H4 | 108.1° | 109.4° |
| C11 | C10 | H5 | 108.1° | 109.3° |
| C11 | N13 | C14 | 118.2° | 120.5° |
| C11 | N13 | H13 | 120.9° | 119.8° |
| C10 | C09 | C07 | 108.1° | 109.4° |
| C10 | C09 | C19 | 112.8° | 109.5° |
| C10 | C09 | H3 | 106.7° | 109.4° |
| C09 | C10 | H4 | 108.1° | 109.4° |
| C09 | C10 | H5 | 108.1° | 109.4° |
| N13 | C14 | C19 | 122.3° | 119.9° |
| N13 | C14 | C15 | 116.3° | 120.2° |
| C14 | N13 | H13 | 120.9° | 119.8° |
| O08 | C07 | C09 | 113.8° | 120.0° |
| O08 | C07 | N06 | 114.2° | 120.0° |
| C07 | C09 | C19 | 115.6° | 109.5° |
| C09 | C07 | N06 | 132.1° | 120.0° |
| C07 | C09 | H3 | 106.5° | 109.5° |
| C09 | C19 | C14 | 121.0° | 119.9° |
| C09 | C19 | C18 | 121.6° | 120.2° |
| C19 | C09 | H3 | 106.6° | 109.5° |
| C19 | C14 | C15 | 121.5° | 119.9° |
| C14 | C19 | C18 | 117.4° | 120.0° |
| C14 | C15 | C16 | 119.5° | 119.9° |
| C14 | C15 | H6 | 120.2° | 120.1° |
| C07 | N06 | C05 | 128.0° | 120.0° |
| C07 | N06 | H12 | 116.0° | 120.0° |
| C19 | C18 | C17 | 122.9° | 120.0° |
| C19 | C18 | H9 | 118.5° | 120.0° |
| C15 | C16 | C17 | 120.2° | 120.1° |
| C16 | C15 | H6 | 120.3° | 120.1° |
| C15 | C16 | H7 | 119.9° | 119.9° |
| N06 | C05 | C04 | 122.5° | 120.1° |
| N06 | C05 | C20 | 122.3° | 120.1° |
| C05 | N06 | H12 | 116.0° | 120.0° |
| C18 | C17 | C16 | 118.5° | 120.2° |
| C18 | C17 | H8 | 120.8° | 119.9° |
| C17 | C18 | H9 | 118.6° | 120.0° |
| C17 | C16 | H7 | 119.9° | 120.0° |
| C16 | C17 | H8 | 120.7° | 119.9° |
| C04 | C05 | C20 | 115.2° | 119.8° |
| C05 | C04 | C03 | 123.5° | 120.0° |
| C05 | C04 | H2 | 118.3° | 119.9° |
| C05 | C20 | C21 | 122.3° | 119.9° |
| C05 | C20 | H10 | 118.9° | 120.0° |
| C04 | C03 | C02 | 118.8° | 120.1° |
| C04 | C03 | H1 | 120.6° | 120.0° |
| C03 | C04 | H2 | 118.3° | 120.1° |
| C20 | C21 | C02 | 119.3° | 120.1° |
| C21 | C20 | H10 | 118.9° | 120.1° |
| C20 | C21 | H11 | 120.4° | 119.9° |
| C03 | C02 | C21 | 121.0° | 120.2° |
| C03 | C02 | I01 | 119.3° | 119.9° |
| C02 | C03 | H1 | 120.6° | 120.0° |
| C21 | C02 | I01 | 119.7° | 119.9° |
| C02 | C21 | H11 | 120.4° | 120.0° |
| H4 | C10 | H5 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C11 | C10 | N13 | 179.5° | 180.0° |
| O12 | C11 | C10 | C09 | 159.2° | 144.8° |
| O12 | C11 | N13 | C14 | 179.7° | 179.3° |
| O12 | C11 | C10 | H4 | 80.0° | 24.7° |
| O12 | C11 | C10 | H5 | 38.4° | 95.1° |
| O12 | C11 | N13 | H13 | 0.3° | 0.8° |
| C11 | C10 | C09 | H4 | 120.8° | 120.1° |
| C11 | C10 | C09 | H5 | 120.8° | 120.0° |
| C10 | C11 | N13 | C14 | 0.2° | 0.8° |
| C11 | C10 | C09 | C07 | 100.8° | 71.4° |
| C11 | C10 | C09 | C19 | 28.3° | 48.6° |
| C11 | C10 | C09 | H3 | 145.0° | 168.6° |
| C11 | C10 | H4 | H5 | 117.6° | 119.7° |
| C10 | C11 | N13 | H13 | 179.8° | 179.2° |
| N13 | C11 | C10 | C09 | 20.3° | 35.2° |
| C11 | N13 | C14 | H13 | 180.0° | 179.9° |
| C11 | N13 | C14 | C19 | 11.1° | 18.6° |
| C11 | N13 | C14 | C15 | 169.1° | 161.5° |
| N13 | C11 | C10 | H4 | 100.5° | 155.3° |
| N13 | C11 | C10 | H5 | 141.1° | 84.9° |
| C10 | C09 | C07 | O08 | 18.5° | 120.1° |
| C10 | C09 | C07 | C19 | 127.4° | 120.0° |
| C10 | C09 | C07 | H3 | 114.4° | 120.0° |
| C10 | C09 | C19 | H3 | 116.8° | 119.9° |
| C10 | C09 | C19 | C14 | 19.8° | 34.0° |
| C10 | C09 | C07 | N06 | 161.5° | 60.0° |
| C10 | C09 | C19 | C18 | 160.4° | 146.0° |
| C09 | C10 | H4 | H5 | 117.5° | 119.9° |
| N13 | C14 | C19 | C09 | 0.1° | 0.0° |
| N13 | C14 | C19 | C15 | 179.8° | 180.0° |
| N13 | C14 | C19 | C18 | 179.7° | 180.0° |
| N13 | C14 | C15 | C16 | 179.9° | 180.0° |
| N13 | C14 | C15 | H6 | 0.1° | 0.0° |
| O08 | C07 | C09 | N06 | 180.0° | 179.9° |
| O08 | C07 | C09 | C19 | 145.9° | 0.1° |
| O08 | C07 | N06 | C05 | 0.0° | 4.5° |
| O08 | C07 | C09 | H3 | 95.9° | 119.9° |
| O08 | C07 | N06 | H12 | 180.0° | 175.4° |
| C07 | C09 | C19 | H3 | 118.2° | 120.1° |
| C07 | C09 | C19 | C14 | 105.2° | 86.0° |
| C07 | C09 | C19 | C18 | 74.6° | 94.0° |
| C09 | C07 | N06 | C05 | 180.0° | 175.4° |
| C07 | C09 | C10 | H4 | 138.5° | 48.7° |
| C07 | C09 | C10 | H5 | 20.1° | 168.6° |
| C09 | C07 | N06 | H12 | 0.0° | 4.7° |
| C09 | C19 | C14 | C18 | 179.9° | 180.0° |
| C09 | C19 | C14 | C15 | 179.9° | 180.0° |
| C19 | C09 | C07 | N06 | 34.1° | 180.0° |
| C09 | C19 | C18 | C17 | 179.9° | 179.9° |
| C19 | C09 | C10 | H4 | 92.5° | 168.7° |
| C19 | C09 | C10 | H5 | 149.1° | 71.4° |
| C09 | C19 | C18 | H9 | 0.1° | 0.1° |
| C19 | C14 | C15 | C16 | 0.1° | 0.0° |
| C14 | C19 | C18 | C17 | 0.2° | 0.1° |
| C14 | C19 | C09 | H3 | 136.6° | 153.9° |
| C19 | C14 | C15 | H6 | 179.9° | 179.9° |
| C14 | C19 | C18 | H9 | 179.8° | 180.0° |
| C19 | C14 | N13 | H13 | 168.9° | 161.5° |
| C15 | C14 | C19 | C18 | 0.0° | 0.0° |
| C14 | C15 | C16 | H6 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C14 | C15 | C16 | H7 | 179.9° | 180.0° |
| C15 | C14 | N13 | H13 | 10.9° | 18.5° |
| C07 | N06 | C05 | H12 | 180.0° | 180.0° |
| C07 | N06 | C05 | C04 | 91.7° | 35.0° |
| C07 | N06 | C05 | C20 | 88.1° | 144.9° |
| N06 | C07 | C09 | H3 | 84.1° | 60.0° |
| C19 | C18 | C17 | H9 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 0.2° | 0.1° |
| C18 | C19 | C09 | H3 | 43.6° | 26.1° |
| C19 | C18 | C17 | H8 | 179.8° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.1° |
| C15 | C16 | C17 | H7 | 180.0° | 179.9° |
| C15 | C16 | C17 | H8 | 179.9° | 180.0° |
| N06 | C05 | C04 | C20 | 179.7° | 179.9° |
| N06 | C05 | C04 | C03 | 179.9° | 180.0° |
| N06 | C05 | C20 | C21 | 179.9° | 179.8° |
| N06 | C05 | C04 | H2 | 0.1° | 0.1° |
| N06 | C05 | C20 | H10 | 0.1° | 0.0° |
| C18 | C17 | C16 | H8 | 180.0° | 179.9° |
| C18 | C17 | C16 | H7 | 179.9° | 180.0° |
| C17 | C16 | C15 | H6 | 179.9° | 179.9° |
| C16 | C17 | C18 | H9 | 179.8° | 180.0° |
| C05 | C04 | C03 | H2 | 180.0° | 180.0° |
| C04 | C05 | C20 | C21 | 0.2° | 0.3° |
| C05 | C04 | C03 | C02 | 0.1° | 0.1° |
| C05 | C04 | C03 | H1 | 179.9° | 180.0° |
| C04 | C05 | C20 | H10 | 179.8° | 179.9° |
| C04 | C05 | N06 | H12 | 88.3° | 144.9° |
| C20 | C05 | C04 | C03 | 0.2° | 0.1° |
| C05 | C20 | C21 | H10 | 180.0° | 179.8° |
| C05 | C20 | C21 | C02 | 0.1° | 0.5° |
| C20 | C05 | C04 | H2 | 179.8° | 180.0° |
| C05 | C20 | C21 | H11 | 179.9° | 180.0° |
| C20 | C05 | N06 | H12 | 92.0° | 35.1° |
| C04 | C03 | C02 | H1 | 180.0° | 179.9° |
| C04 | C03 | C02 | C21 | 0.0° | 0.3° |
| C04 | C03 | C02 | I01 | 180.0° | 180.0° |
| C20 | C21 | C02 | C03 | 0.0° | 0.5° |
| C20 | C21 | C02 | H11 | 180.0° | 179.5° |
| C20 | C21 | C02 | I01 | 180.0° | 179.8° |
| C03 | C02 | C21 | I01 | 180.0° | 179.7° |
| C02 | C03 | C04 | H2 | 179.9° | 180.0° |
| C03 | C02 | C21 | H11 | 180.0° | 180.0° |
| C21 | C02 | C03 | H1 | 180.0° | 179.8° |
| C02 | C21 | C20 | H10 | 179.9° | 179.7° |
| I01 | C02 | C03 | H1 | 0.0° | 0.1° |
| I01 | C02 | C21 | H11 | 0.0° | 0.3° |
| H1 | C03 | C04 | H2 | 0.0° | 0.0° |
| H3 | C09 | C10 | H4 | 24.2° | 71.3° |
| H3 | C09 | C10 | H5 | 94.2° | 48.5° |
| H6 | C15 | C16 | H7 | 0.1° | 0.0° |
| H7 | C16 | C17 | H8 | 0.1° | 0.1° |
| H8 | C17 | C18 | H9 | 0.2° | 0.2° |
| H10 | C20 | C21 | H11 | 0.1° | 0.2° |
