N0I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL01 | C02 | sing | 1.74Å | 1.75Å | |
| C02 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| C02 | N28 | sing | 1.32Å | 1.30Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.41Å | Aromatic |
| N28 | N27 | doub | 1.28Å | 1.33Å | Aromatic |
| C04 | C05 | doub | 1.39Å | 1.40Å | Aromatic |
| N27 | C05 | sing | 1.32Å | 1.29Å | Aromatic |
| C05 | N06 | sing | 1.39Å | 1.43Å | |
| N06 | C26 | sing | 1.47Å | 1.48Å | |
| N06 | C07 | sing | 1.47Å | 1.50Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C25 | N09 | sing | 1.47Å | 1.41Å | |
| C08 | N09 | sing | 1.47Å | 1.40Å | |
| N09 | C10 | sing | 1.35Å | 1.44Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | O24 | doub | 1.21Å | 1.19Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | N16 | sing | 1.40Å | 1.45Å | |
| N16 | C17 | sing | 1.46Å | 1.45Å | |
| N16 | S18 | sing | 1.66Å | 1.70Å | |
| O19 | S18 | doub | 1.42Å | 1.47Å | |
| S18 | C20 | sing | 1.81Å | 1.80Å | |
| S18 | O21 | doub | 1.42Å | 1.47Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.08Å | 1.08Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.08Å | 1.08Å | |
| C04 | H12 | sing | 1.08Å | 1.08Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL01 | C02 | C03 | 120.0° | 120.0° |
| CL01 | C02 | N28 | 116.0° | 120.0° |
| C03 | C02 | N28 | 123.9° | 120.0° |
| C02 | C03 | C04 | 116.5° | 118.0° |
| C02 | C03 | H11 | 121.8° | 121.0° |
| C02 | N28 | N27 | 120.4° | 122.3° |
| C03 | C04 | C05 | 114.8° | 117.9° |
| C04 | C03 | H11 | 121.8° | 121.0° |
| C03 | C04 | H12 | 122.6° | 121.0° |
| N28 | N27 | C05 | 119.3° | 122.1° |
| C04 | C05 | N27 | 125.0° | 119.7° |
| C04 | C05 | N06 | 119.8° | 120.1° |
| C05 | C04 | H12 | 122.6° | 121.0° |
| N27 | C05 | N06 | 115.2° | 120.2° |
| C05 | N06 | C26 | 122.5° | 111.0° |
| C05 | N06 | C07 | 121.9° | 111.0° |
| C26 | N06 | C07 | 114.8° | 111.3° |
| N06 | C26 | C25 | 107.6° | 109.3° |
| N06 | C26 | H9 | 109.9° | 109.5° |
| N06 | C26 | H10 | 109.9° | 109.5° |
| N06 | C07 | C08 | 112.7° | 109.4° |
| N06 | C07 | H13 | 108.6° | 109.5° |
| N06 | C07 | H14 | 108.6° | 109.5° |
| C26 | C25 | N09 | 111.2° | 108.5° |
| C25 | C26 | H9 | 109.9° | 109.5° |
| C25 | C26 | H10 | 109.9° | 109.4° |
| C26 | C25 | H21 | 109.0° | 109.7° |
| C26 | C25 | H22 | 109.0° | 109.7° |
| C07 | C08 | N09 | 107.9° | 108.5° |
| C08 | C07 | H13 | 108.7° | 109.5° |
| C08 | C07 | H14 | 108.7° | 109.5° |
| C07 | C08 | H15 | 109.8° | 109.6° |
| C07 | C08 | H16 | 109.9° | 109.7° |
| C25 | N09 | C08 | 115.8° | 118.2° |
| C25 | N09 | C10 | 122.1° | 120.9° |
| N09 | C25 | H21 | 109.0° | 109.6° |
| N09 | C25 | H22 | 109.1° | 109.6° |
| C08 | N09 | C10 | 122.1° | 120.9° |
| N09 | C08 | H15 | 109.8° | 109.6° |
| N09 | C08 | H16 | 109.8° | 109.6° |
| N09 | C10 | C11 | 117.3° | 120.0° |
| N09 | C10 | O24 | 118.6° | 120.0° |
| C11 | C10 | O24 | 124.1° | 120.0° |
| C10 | C11 | C12 | 107.3° | 109.5° |
| C10 | C11 | H17 | 110.0° | 109.5° |
| C10 | C11 | H18 | 110.0° | 109.5° |
| C11 | C12 | C13 | 119.0° | 119.9° |
| C11 | C12 | C23 | 118.6° | 119.9° |
| C12 | C11 | H17 | 110.0° | 109.5° |
| C12 | C11 | H18 | 110.0° | 109.5° |
| C12 | C13 | C14 | 118.9° | 120.1° |
| C13 | C12 | C23 | 122.4° | 120.1° |
| C12 | C13 | H1 | 120.6° | 119.9° |
| C13 | C14 | C15 | 118.9° | 119.9° |
| C14 | C13 | H1 | 120.6° | 120.0° |
| C13 | C14 | H19 | 120.6° | 120.0° |
| C12 | C23 | C22 | 118.8° | 120.1° |
| C12 | C23 | H20 | 120.6° | 120.0° |
| C14 | C15 | C22 | 121.8° | 119.9° |
| C14 | C15 | N16 | 120.3° | 120.0° |
| C15 | C14 | H19 | 120.6° | 120.1° |
| C23 | C22 | C15 | 119.3° | 119.9° |
| C23 | C22 | H8 | 120.4° | 120.0° |
| C22 | C23 | H20 | 120.6° | 120.0° |
| C22 | C15 | N16 | 117.9° | 120.1° |
| C15 | C22 | H8 | 120.4° | 120.1° |
| C15 | N16 | C17 | 119.2° | 120.0° |
| C15 | N16 | S18 | 121.4° | 120.0° |
| C17 | N16 | S18 | 119.5° | 120.0° |
| N16 | C17 | H2 | 109.5° | 109.5° |
| N16 | C17 | H3 | 109.5° | 109.5° |
| N16 | C17 | H4 | 109.5° | 109.5° |
| N16 | S18 | O19 | 112.4° | 104.3° |
| N16 | S18 | C20 | 105.6° | 104.5° |
| N16 | S18 | O21 | 112.4° | 104.3° |
| O19 | S18 | C20 | 114.1° | 110.5° |
| O19 | S18 | O21 | 101.7° | 121.0° |
| C20 | S18 | O21 | 110.9° | 110.6° |
| S18 | C20 | H5 | 109.5° | 109.4° |
| S18 | C20 | H6 | 109.5° | 109.5° |
| S18 | C20 | H7 | 109.5° | 109.5° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H2 | C17 | H4 | 109.5° | 109.4° |
| H3 | C17 | H4 | 109.5° | 109.5° |
| H5 | C20 | H6 | 109.5° | 109.4° |
| H5 | C20 | H7 | 109.5° | 109.5° |
| H6 | C20 | H7 | 109.4° | 109.5° |
| H9 | C26 | H10 | 109.5° | 109.5° |
| H13 | C07 | H14 | 109.5° | 109.4° |
| H15 | C08 | H16 | 109.5° | 109.8° |
| H17 | C11 | H18 | 109.4° | 109.5° |
| H21 | C25 | H22 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL01 | C02 | C03 | N28 | 179.1° | 179.8° |
| CL01 | C02 | C03 | C04 | 179.3° | 179.8° |
| CL01 | C02 | N28 | N27 | 179.7° | 179.7° |
| CL01 | C02 | C03 | H11 | 0.7° | 0.3° |
| C02 | C03 | C04 | H11 | 180.0° | 179.9° |
| C03 | C02 | N28 | N27 | 1.2° | 0.0° |
| C02 | C03 | C04 | C05 | 0.1° | 0.1° |
| C02 | C03 | C04 | H12 | 179.9° | 180.0° |
| N28 | C02 | C03 | C04 | 0.2° | 0.0° |
| C02 | N28 | N27 | C05 | 2.0° | 0.0° |
| N28 | C02 | C03 | H11 | 179.8° | 179.9° |
| C03 | C04 | C05 | H12 | 180.0° | 179.9° |
| C03 | C04 | C05 | N27 | 1.1° | 0.1° |
| C03 | C04 | C05 | N06 | 179.7° | 180.0° |
| N28 | N27 | C05 | C04 | 2.0° | 0.0° |
| N28 | N27 | C05 | N06 | 178.7° | 180.0° |
| C04 | C05 | N27 | N06 | 179.3° | 180.0° |
| C04 | C05 | N06 | C26 | 17.8° | 180.0° |
| C04 | C05 | N06 | C07 | 173.5° | 55.7° |
| C05 | C04 | C03 | H11 | 179.9° | 180.0° |
| N27 | C05 | N06 | C26 | 161.5° | 0.0° |
| N27 | C05 | N06 | C07 | 7.2° | 124.3° |
| N27 | C05 | C04 | H12 | 179.0° | 180.0° |
| C05 | N06 | C26 | C07 | 169.4° | 124.2° |
| C05 | N06 | C26 | C25 | 141.6° | 172.7° |
| C05 | N06 | C07 | C08 | 142.2° | 172.7° |
| C05 | N06 | C26 | H9 | 21.9° | 67.3° |
| C05 | N06 | C26 | H10 | 98.7° | 52.8° |
| N06 | C05 | C04 | H12 | 0.3° | 0.0° |
| C05 | N06 | C07 | H13 | 97.3° | 52.8° |
| C05 | N06 | C07 | H14 | 21.7° | 67.2° |
| N06 | C26 | C25 | H9 | 119.7° | 120.0° |
| N06 | C26 | C25 | H10 | 119.7° | 119.9° |
| C26 | N06 | C07 | C08 | 48.3° | 63.2° |
| N06 | C26 | C25 | N09 | 54.4° | 53.8° |
| N06 | C26 | H9 | H10 | 120.9° | 120.1° |
| C26 | N06 | C07 | H13 | 72.2° | 176.9° |
| C26 | N06 | C07 | H14 | 168.8° | 56.9° |
| N06 | C26 | C25 | H21 | 65.8° | 65.8° |
| N06 | C26 | C25 | H22 | 174.7° | 173.5° |
| C07 | N06 | C26 | C25 | 49.0° | 63.1° |
| N06 | C07 | C08 | H13 | 120.5° | 119.9° |
| N06 | C07 | C08 | H14 | 120.5° | 120.1° |
| N06 | C07 | C08 | N09 | 49.0° | 53.9° |
| C07 | N06 | C26 | H9 | 168.7° | 56.9° |
| C07 | N06 | C26 | H10 | 70.8° | 177.0° |
| N06 | C07 | H13 | H14 | 118.5° | 120.1° |
| N06 | C07 | C08 | H15 | 168.7° | 173.5° |
| N06 | C07 | C08 | H16 | 70.8° | 65.8° |
| C26 | C25 | N09 | H21 | 120.2° | 119.7° |
| C26 | C25 | N09 | H22 | 120.3° | 119.7° |
| C26 | C25 | N09 | C08 | 63.8° | 51.2° |
| C26 | C25 | N09 | C10 | 115.8° | 128.9° |
| C25 | C26 | H9 | H10 | 120.8° | 120.0° |
| C26 | C25 | H21 | H22 | 119.2° | 120.6° |
| C07 | C08 | N09 | C25 | 58.6° | 51.2° |
| C07 | C08 | N09 | H15 | 119.7° | 119.7° |
| C07 | C08 | N09 | H16 | 119.8° | 119.7° |
| C07 | C08 | N09 | C10 | 120.9° | 128.9° |
| C08 | C07 | H13 | H14 | 118.6° | 120.1° |
| C07 | C08 | H15 | H16 | 120.7° | 120.6° |
| C25 | N09 | C08 | C10 | 179.6° | 179.9° |
| C25 | N09 | C10 | C11 | 0.3° | 0.1° |
| C25 | N09 | C10 | O24 | 179.0° | 179.8° |
| N09 | C25 | C26 | H9 | 174.1° | 66.1° |
| N09 | C25 | C26 | H10 | 65.3° | 173.8° |
| C25 | N09 | C08 | H15 | 178.4° | 170.9° |
| C25 | N09 | C08 | H16 | 61.1° | 68.5° |
| N09 | C25 | H21 | H22 | 119.2° | 120.4° |
| C08 | N09 | C10 | C11 | 179.9° | 180.0° |
| C08 | N09 | C10 | O24 | 1.5° | 0.2° |
| N09 | C08 | C07 | H13 | 71.5° | 173.8° |
| N09 | C08 | C07 | H14 | 169.4° | 66.2° |
| N09 | C08 | H15 | H16 | 120.7° | 120.5° |
| C08 | N09 | C25 | H21 | 56.4° | 68.5° |
| C08 | N09 | C25 | H22 | 175.9° | 170.9° |
| N09 | C10 | C11 | O24 | 178.6° | 179.8° |
| N09 | C10 | C11 | C12 | 150.4° | 179.8° |
| C10 | N09 | C08 | H15 | 1.2° | 9.2° |
| C10 | N09 | C08 | H16 | 119.3° | 111.4° |
| N09 | C10 | C11 | H17 | 30.7° | 59.7° |
| N09 | C10 | C11 | H18 | 89.9° | 60.2° |
| C10 | N09 | C25 | H21 | 124.0° | 111.4° |
| C10 | N09 | C25 | H22 | 4.5° | 9.2° |
| C10 | C11 | C12 | H17 | 119.7° | 120.0° |
| C10 | C11 | C12 | H18 | 119.7° | 120.0° |
| C10 | C11 | C12 | C13 | 69.3° | 90.0° |
| C10 | C11 | C12 | C23 | 108.2° | 90.0° |
| C10 | C11 | H17 | H18 | 121.0° | 120.0° |
| O24 | C10 | C11 | C12 | 28.2° | 0.1° |
| O24 | C10 | C11 | H17 | 147.9° | 120.1° |
| O24 | C10 | C11 | H18 | 91.5° | 119.9° |
| C11 | C12 | C13 | C23 | 177.5° | 179.9° |
| C11 | C12 | C13 | C14 | 179.4° | 180.0° |
| C11 | C12 | C23 | C22 | 179.8° | 180.0° |
| C11 | C12 | C13 | H1 | 0.5° | 0.2° |
| C12 | C11 | H17 | H18 | 121.0° | 120.0° |
| C11 | C12 | C23 | H20 | 0.2° | 0.0° |
| C12 | C13 | C14 | H1 | 180.0° | 179.8° |
| C12 | C13 | C14 | C15 | 0.8° | 0.1° |
| C13 | C12 | C23 | C22 | 2.4° | 0.0° |
| C13 | C12 | C11 | H17 | 50.3° | 30.1° |
| C13 | C12 | C11 | H18 | 171.0° | 150.0° |
| C12 | C13 | C14 | H19 | 179.2° | 179.9° |
| C13 | C12 | C23 | H20 | 177.7° | 180.0° |
| C14 | C13 | C12 | C23 | 2.0° | 0.1° |
| C13 | C14 | C15 | H19 | 180.0° | 179.9° |
| C13 | C14 | C15 | C22 | 0.1° | 0.0° |
| C13 | C14 | C15 | N16 | 178.6° | 180.0° |
| C12 | C23 | C22 | H20 | 180.0° | 180.0° |
| C12 | C23 | C22 | C15 | 1.5° | 0.0° |
| C23 | C12 | C13 | H1 | 178.0° | 179.7° |
| C12 | C23 | C22 | H8 | 178.5° | 180.0° |
| C23 | C12 | C11 | H17 | 132.1° | 150.0° |
| C23 | C12 | C11 | H18 | 11.5° | 30.0° |
| C14 | C15 | C22 | C23 | 0.4° | 0.0° |
| C14 | C15 | C22 | N16 | 178.7° | 179.9° |
| C14 | C15 | N16 | C17 | 92.9° | 58.4° |
| C14 | C15 | N16 | S18 | 88.3° | 121.7° |
| C15 | C14 | C13 | H1 | 179.2° | 179.7° |
| C14 | C15 | C22 | H8 | 179.6° | 180.0° |
| C23 | C22 | C15 | H8 | 180.0° | 180.0° |
| C23 | C22 | C15 | N16 | 178.3° | 179.9° |
| C22 | C15 | N16 | C17 | 88.4° | 121.7° |
| C22 | C15 | N16 | S18 | 90.5° | 58.2° |
| C22 | C15 | C14 | H19 | 180.0° | 179.9° |
| C15 | C22 | C23 | H20 | 178.5° | 180.0° |
| C15 | N16 | C17 | S18 | 178.9° | 179.9° |
| C15 | N16 | S18 | O19 | 0.5° | 20.3° |
| C15 | N16 | S18 | C20 | 124.5° | 95.8° |
| C15 | N16 | S18 | O21 | 114.5° | 148.1° |
| C15 | N16 | C17 | H2 | 180.0° | 90.0° |
| C15 | N16 | C17 | H3 | 60.0° | 149.9° |
| C15 | N16 | C17 | H4 | 60.0° | 29.9° |
| N16 | C15 | C22 | H8 | 1.7° | 0.1° |
| N16 | C15 | C14 | H19 | 1.4° | 0.2° |
| C17 | N16 | S18 | O19 | 178.4° | 159.8° |
| C17 | N16 | S18 | C20 | 56.7° | 84.1° |
| C17 | N16 | S18 | O21 | 64.3° | 32.0° |
| N16 | C17 | H2 | H3 | 120.0° | 120.0° |
| N16 | C17 | H2 | H4 | 120.0° | 120.0° |
| N16 | C17 | H3 | H4 | 120.0° | 120.0° |
| N16 | S18 | O19 | C20 | 120.1° | 111.8° |
| N16 | S18 | O19 | O21 | 120.4° | 116.7° |
| N16 | S18 | C20 | O21 | 122.0° | 111.7° |
| S18 | N16 | C17 | H2 | 1.1° | 90.1° |
| S18 | N16 | C17 | H3 | 121.1° | 30.0° |
| S18 | N16 | C17 | H4 | 118.9° | 150.0° |
| N16 | S18 | C20 | H5 | 180.0° | 60.0° |
| N16 | S18 | C20 | H6 | 60.0° | 180.0° |
| N16 | S18 | C20 | H7 | 60.0° | 60.0° |
| O19 | S18 | C20 | O21 | 114.1° | 136.7° |
| O19 | S18 | C20 | H5 | 56.1° | 171.6° |
| O19 | S18 | C20 | H6 | 63.9° | 68.4° |
| O19 | S18 | C20 | H7 | 176.2° | 51.7° |
| S18 | C20 | H5 | H6 | 120.0° | 120.0° |
| S18 | C20 | H5 | H7 | 120.0° | 120.0° |
| S18 | C20 | H6 | H7 | 120.0° | 120.1° |
| O21 | S18 | C20 | H5 | 58.0° | 51.7° |
| O21 | S18 | C20 | H6 | 178.0° | 68.3° |
| O21 | S18 | C20 | H7 | 62.0° | 171.7° |
| H1 | C13 | C14 | H19 | 0.8° | 0.2° |
| H2 | C17 | H3 | H4 | 120.0° | 120.0° |
| H5 | C20 | H6 | H7 | 120.0° | 120.0° |
| H8 | C22 | C23 | H20 | 1.5° | 0.0° |
| H9 | C26 | C25 | H21 | 53.9° | 174.2° |
| H9 | C26 | C25 | H22 | 65.6° | 53.5° |
| H10 | C26 | C25 | H21 | 174.5° | 54.1° |
| H10 | C26 | C25 | H22 | 55.0° | 66.5° |
| H11 | C03 | C04 | H12 | 0.1° | 0.1° |
| H13 | C07 | C08 | H15 | 48.3° | 66.5° |
| H13 | C07 | C08 | H16 | 168.8° | 54.1° |
| H14 | C07 | C08 | H15 | 70.8° | 53.5° |
| H14 | C07 | C08 | H16 | 49.7° | 174.1° |
