N59
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| O25 | S24 | doub | 1.42Å | 1.44Å | |
| C30 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| O27 | S24 | doub | 1.42Å | 1.43Å | |
| C26 | S24 | sing | 1.76Å | 1.62Å | |
| C26 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| S24 | N23 | sing | 1.66Å | 1.61Å | |
| C31 | C32 | sing | 1.39Å | 1.40Å | Aromatic |
| C31 | F33 | sing | 1.35Å | 1.34Å | |
| N23 | C15 | sing | 1.40Å | 1.37Å | |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| O22 | C20 | doub | 1.21Å | 1.26Å | |
| C15 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.53Å | 1.51Å | |
| C09 | N08 | sing | 1.47Å | 1.46Å | |
| C20 | C17 | sing | 1.47Å | 1.50Å | |
| C20 | O21 | sing | 1.35Å | 1.25Å | |
| C17 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | N11 | sing | 1.39Å | 1.38Å | |
| C14 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | N11 | sing | 1.47Å | 1.46Å | |
| N11 | C12 | sing | 1.47Å | 1.45Å | |
| C12 | C13 | sing | 1.53Å | 1.50Å | |
| N08 | C01 | sing | 1.40Å | 1.37Å | |
| N08 | C13 | sing | 1.47Å | 1.46Å | |
| C02 | C01 | doub | 1.39Å | 1.40Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C01 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | CL7 | sing | 1.74Å | 1.80Å | |
| C30 | H1 | sing | 1.08Å | 1.08Å | |
| C29 | H2 | sing | 1.08Å | 1.08Å | |
| C28 | H3 | sing | 1.08Å | 1.08Å | |
| C32 | H4 | sing | 1.08Å | 1.08Å | |
| N23 | H5 | sing | 0.97Å | 1.00Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| O21 | H7 | sing | 0.97Å | 0.95Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C06 | H18 | sing | 1.08Å | 1.08Å | |
| C04 | H19 | sing | 1.08Å | 1.08Å | |
| C03 | H20 | sing | 1.08Å | 1.08Å | |
| C02 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C29 | C30 | 119.7° | 120.0° |
| C29 | C28 | C26 | 121.3° | 120.0° |
| C28 | C29 | H2 | 120.1° | 120.0° |
| C29 | C28 | H3 | 119.3° | 120.0° |
| C29 | C30 | C31 | 119.5° | 120.0° |
| C29 | C30 | H1 | 120.3° | 120.0° |
| C30 | C29 | H2 | 120.2° | 120.0° |
| C28 | C26 | S24 | 121.3° | 120.0° |
| C28 | C26 | C32 | 118.5° | 120.1° |
| C26 | C28 | H3 | 119.4° | 119.9° |
| O25 | S24 | O27 | 106.6° | 123.2° |
| O25 | S24 | C26 | 110.0° | 106.4° |
| O25 | S24 | N23 | 109.3° | 106.4° |
| C30 | C31 | C32 | 120.8° | 119.9° |
| C30 | C31 | F33 | 119.9° | 120.1° |
| C31 | C30 | H1 | 120.2° | 120.0° |
| O27 | S24 | C26 | 113.5° | 106.4° |
| O27 | S24 | N23 | 107.1° | 106.4° |
| S24 | C26 | C32 | 120.2° | 120.0° |
| C26 | S24 | N23 | 110.0° | 107.2° |
| C26 | C32 | C31 | 120.2° | 120.0° |
| C26 | C32 | H4 | 119.9° | 120.0° |
| S24 | N23 | C15 | 126.4° | 120.1° |
| S24 | N23 | H5 | 105.1° | 119.9° |
| C32 | C31 | F33 | 119.3° | 120.0° |
| C31 | C32 | H4 | 119.9° | 120.0° |
| N23 | C15 | C16 | 125.0° | 120.0° |
| N23 | C15 | C14 | 117.4° | 120.0° |
| C15 | N23 | H5 | 105.1° | 120.0° |
| C15 | C16 | C17 | 120.1° | 119.8° |
| C16 | C15 | C14 | 117.6° | 120.0° |
| C15 | C16 | H6 | 120.0° | 120.1° |
| C16 | C17 | C20 | 122.3° | 120.0° |
| C16 | C17 | C18 | 120.8° | 119.9° |
| C17 | C16 | H6 | 120.0° | 120.1° |
| O22 | C20 | C17 | 121.0° | 120.0° |
| O22 | C20 | O21 | 122.5° | 120.0° |
| C15 | C14 | N11 | 121.3° | 119.9° |
| C15 | C14 | C19 | 122.3° | 120.1° |
| C10 | C09 | N08 | 104.7° | 109.3° |
| C09 | C10 | N11 | 103.5° | 109.4° |
| C09 | C10 | H10 | 110.9° | 109.5° |
| C09 | C10 | H11 | 111.0° | 109.5° |
| C10 | C09 | H12 | 110.6° | 109.5° |
| C10 | C09 | H13 | 110.6° | 109.5° |
| C09 | N08 | C01 | 118.3° | 111.0° |
| C09 | N08 | C13 | 121.1° | 110.9° |
| N08 | C09 | H12 | 110.7° | 109.5° |
| N08 | C09 | H13 | 110.7° | 109.5° |
| C17 | C20 | O21 | 116.6° | 120.0° |
| C20 | C17 | C18 | 117.0° | 120.1° |
| C20 | O21 | H7 | 109.5° | 117.0° |
| C17 | C18 | C19 | 119.3° | 120.0° |
| C17 | C18 | H8 | 120.4° | 120.0° |
| N11 | C14 | C19 | 116.4° | 120.0° |
| C14 | N11 | C10 | 119.7° | 111.0° |
| C14 | N11 | C12 | 118.7° | 111.0° |
| C14 | C19 | C18 | 120.0° | 120.2° |
| C14 | C19 | H9 | 120.0° | 119.9° |
| C10 | N11 | C12 | 121.6° | 110.8° |
| N11 | C10 | H10 | 110.9° | 109.5° |
| N11 | C10 | H11 | 110.9° | 109.5° |
| N11 | C12 | C13 | 105.2° | 109.4° |
| N11 | C12 | H14 | 110.5° | 109.5° |
| N11 | C12 | H15 | 110.5° | 109.5° |
| C12 | C13 | N08 | 104.3° | 109.3° |
| C13 | C12 | H14 | 110.5° | 109.5° |
| C13 | C12 | H15 | 110.5° | 109.5° |
| C12 | C13 | H16 | 110.8° | 109.5° |
| C12 | C13 | H17 | 110.8° | 109.4° |
| C01 | N08 | C13 | 120.6° | 110.9° |
| N08 | C01 | C02 | 119.2° | 120.0° |
| N08 | C01 | C06 | 119.1° | 120.1° |
| N08 | C13 | H16 | 110.8° | 109.5° |
| N08 | C13 | H17 | 110.8° | 109.5° |
| C01 | C02 | C03 | 119.4° | 119.9° |
| C02 | C01 | C06 | 121.7° | 119.9° |
| C01 | C02 | H21 | 120.2° | 120.1° |
| C02 | C03 | C04 | 119.1° | 120.1° |
| C02 | C03 | H20 | 120.5° | 120.0° |
| C03 | C02 | H21 | 120.3° | 120.0° |
| C01 | C06 | C05 | 119.2° | 119.9° |
| C01 | C06 | H18 | 120.4° | 120.0° |
| C19 | C18 | H8 | 120.3° | 120.0° |
| C18 | C19 | H9 | 120.0° | 119.9° |
| C03 | C04 | C05 | 121.0° | 120.1° |
| C03 | C04 | H19 | 119.5° | 119.9° |
| C04 | C03 | H20 | 120.5° | 120.0° |
| C06 | C05 | C04 | 119.6° | 120.1° |
| C06 | C05 | CL7 | 117.0° | 120.0° |
| C05 | C06 | H18 | 120.4° | 120.1° |
| C04 | C05 | CL7 | 123.5° | 120.0° |
| C05 | C04 | H19 | 119.5° | 120.0° |
| H10 | C10 | H11 | 109.4° | 109.4° |
| H12 | C09 | H13 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.4° | 109.5° |
| H16 | C13 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C29 | C30 | H2 | 180.0° | 180.0° |
| C29 | C28 | C26 | H3 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 0.3° | 0.0° |
| C29 | C28 | C26 | S24 | 179.8° | 180.0° |
| C29 | C28 | C26 | C32 | 0.4° | 0.0° |
| C28 | C29 | C30 | H1 | 179.7° | 179.9° |
| C30 | C29 | C28 | C26 | 0.4° | 0.0° |
| C29 | C30 | C31 | H1 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.1° | 0.0° |
| C29 | C30 | C31 | F33 | 179.9° | 179.7° |
| C30 | C29 | C28 | H3 | 179.5° | 180.0° |
| C28 | C26 | S24 | O25 | 102.4° | 156.5° |
| C28 | C26 | S24 | O27 | 17.0° | 23.5° |
| C28 | C26 | S24 | C32 | 179.7° | 180.0° |
| C28 | C26 | S24 | N23 | 137.0° | 90.1° |
| C28 | C26 | C32 | C31 | 0.3° | 0.1° |
| C26 | C28 | C29 | H2 | 179.5° | 180.0° |
| C28 | C26 | C32 | H4 | 179.7° | 179.8° |
| O25 | S24 | O27 | C26 | 121.4° | 123.0° |
| O25 | S24 | O27 | N23 | 117.0° | 122.9° |
| O25 | S24 | C26 | N23 | 120.5° | 113.5° |
| O25 | S24 | C26 | C32 | 77.9° | 23.6° |
| O25 | S24 | N23 | C15 | 168.8° | 53.1° |
| O25 | S24 | N23 | H5 | 68.9° | 126.9° |
| C30 | C31 | C32 | C26 | 0.1° | 0.1° |
| C30 | C31 | C32 | F33 | 179.9° | 179.7° |
| C31 | C30 | C29 | H2 | 179.7° | 180.0° |
| C30 | C31 | C32 | H4 | 179.8° | 179.8° |
| O27 | S24 | C26 | N23 | 120.0° | 113.6° |
| O27 | S24 | C26 | C32 | 162.7° | 156.5° |
| O27 | S24 | N23 | C15 | 53.6° | 174.0° |
| O27 | S24 | N23 | H5 | 175.9° | 6.0° |
| S24 | C26 | C32 | C31 | 180.0° | 179.9° |
| C26 | S24 | N23 | C15 | 70.2° | 60.4° |
| S24 | C26 | C28 | H3 | 0.2° | 0.1° |
| S24 | C26 | C32 | H4 | 0.0° | 0.2° |
| C26 | S24 | N23 | H5 | 52.0° | 119.6° |
| C32 | C26 | S24 | N23 | 42.7° | 89.9° |
| C26 | C32 | C31 | H4 | 180.0° | 179.9° |
| C26 | C32 | C31 | F33 | 179.9° | 179.8° |
| C32 | C26 | C28 | H3 | 179.5° | 179.9° |
| S24 | N23 | C15 | H5 | 122.3° | 180.0° |
| S24 | N23 | C15 | C16 | 1.2° | 35.6° |
| S24 | N23 | C15 | C14 | 178.8° | 144.7° |
| C32 | C31 | C30 | H1 | 179.9° | 180.0° |
| F33 | C31 | C30 | H1 | 0.1° | 0.3° |
| F33 | C31 | C32 | H4 | 0.1° | 0.0° |
| N23 | C15 | C16 | C14 | 180.0° | 179.7° |
| N23 | C15 | C16 | C17 | 180.0° | 180.0° |
| N23 | C15 | C14 | N11 | 0.3° | 0.0° |
| N23 | C15 | C14 | C19 | 179.5° | 179.7° |
| N23 | C15 | C16 | H6 | 0.1° | 0.0° |
| C15 | C16 | C17 | H6 | 180.0° | 180.0° |
| C15 | C16 | C17 | C20 | 179.9° | 180.0° |
| C15 | C16 | C17 | C18 | 0.4° | 0.0° |
| C16 | C15 | C14 | N11 | 179.7° | 179.7° |
| C16 | C15 | C14 | C19 | 0.5° | 0.6° |
| C16 | C15 | N23 | H5 | 123.4° | 144.4° |
| C16 | C17 | C20 | O22 | 21.8° | 0.0° |
| C17 | C16 | C15 | C14 | 0.0° | 0.3° |
| C16 | C17 | C20 | C18 | 179.6° | 180.0° |
| C16 | C17 | C20 | O21 | 158.5° | 180.0° |
| C16 | C17 | C18 | C19 | 0.2° | 0.0° |
| C16 | C17 | C18 | H8 | 179.8° | 180.0° |
| O22 | C20 | C17 | O21 | 179.7° | 180.0° |
| O22 | C20 | C17 | C18 | 158.6° | 180.0° |
| O22 | C20 | O21 | H7 | 0.0° | 0.0° |
| C15 | C14 | N11 | C19 | 179.2° | 179.7° |
| C15 | C14 | N11 | C10 | 78.0° | 116.2° |
| C15 | C14 | N11 | C12 | 102.7° | 120.0° |
| C15 | C14 | C19 | C18 | 0.7° | 0.6° |
| C14 | C15 | N23 | H5 | 56.6° | 35.3° |
| C14 | C15 | C16 | H6 | 180.0° | 179.8° |
| C15 | C14 | C19 | H9 | 179.3° | 179.7° |
| C10 | C09 | N08 | H12 | 119.2° | 120.0° |
| C10 | C09 | N08 | H13 | 119.2° | 119.9° |
| C09 | C10 | N11 | C14 | 149.9° | 176.8° |
| C09 | C10 | N11 | H10 | 119.1° | 120.0° |
| C09 | C10 | N11 | H11 | 119.1° | 120.0° |
| C09 | C10 | N11 | C12 | 30.8° | 59.3° |
| C10 | C09 | N08 | C01 | 144.8° | 176.8° |
| C10 | C09 | N08 | C13 | 35.9° | 59.4° |
| C09 | C10 | H10 | H11 | 122.8° | 120.1° |
| C10 | C09 | H12 | H13 | 122.2° | 120.1° |
| N08 | C09 | C10 | N11 | 63.9° | 58.4° |
| C09 | N08 | C13 | C12 | 29.5° | 59.3° |
| C09 | N08 | C01 | C13 | 179.4° | 123.8° |
| C09 | N08 | C01 | C02 | 32.8° | 0.2° |
| C09 | N08 | C01 | C06 | 146.5° | 180.0° |
| N08 | C09 | C10 | H10 | 177.1° | 178.4° |
| N08 | C09 | C10 | H11 | 55.2° | 61.6° |
| N08 | C09 | H12 | H13 | 122.3° | 120.1° |
| C09 | N08 | C13 | H16 | 148.6° | 179.3° |
| C09 | N08 | C13 | H17 | 89.7° | 60.6° |
| C20 | C17 | C18 | C19 | 179.8° | 180.0° |
| C20 | C17 | C16 | H6 | 0.0° | 0.0° |
| C17 | C20 | O21 | H7 | 179.7° | 180.0° |
| C20 | C17 | C18 | H8 | 0.2° | 0.0° |
| O21 | C20 | C17 | C18 | 21.1° | 0.0° |
| C17 | C18 | C19 | C14 | 0.3° | 0.3° |
| C17 | C18 | C19 | H8 | 180.0° | 180.0° |
| C18 | C17 | C16 | H6 | 179.6° | 179.9° |
| C17 | C18 | C19 | H9 | 179.7° | 180.0° |
| C14 | N11 | C10 | C12 | 179.3° | 123.9° |
| C14 | N11 | C12 | C13 | 144.7° | 176.8° |
| N11 | C14 | C19 | C18 | 179.9° | 179.7° |
| N11 | C14 | C19 | H9 | 0.1° | 0.0° |
| C14 | N11 | C10 | H10 | 30.8° | 56.8° |
| C14 | N11 | C10 | H11 | 91.0° | 63.2° |
| C14 | N11 | C12 | H14 | 95.9° | 63.2° |
| C14 | N11 | C12 | H15 | 25.4° | 56.8° |
| C19 | C14 | N11 | C10 | 102.8° | 63.5° |
| C19 | C14 | N11 | C12 | 76.5° | 60.3° |
| C14 | C19 | C18 | H9 | 180.0° | 179.7° |
| C14 | C19 | C18 | H8 | 179.7° | 179.7° |
| C10 | N11 | C12 | C13 | 34.6° | 59.3° |
| N11 | C10 | H10 | H11 | 122.7° | 120.0° |
| N11 | C10 | C09 | H12 | 176.9° | 61.6° |
| N11 | C10 | C09 | H13 | 55.4° | 178.3° |
| C10 | N11 | C12 | H14 | 84.8° | 60.7° |
| C10 | N11 | C12 | H15 | 153.9° | 179.3° |
| N11 | C12 | C13 | H14 | 119.4° | 120.0° |
| N11 | C12 | C13 | H15 | 119.3° | 120.0° |
| N11 | C12 | C13 | N08 | 63.0° | 58.4° |
| C12 | N11 | C10 | H10 | 149.9° | 179.3° |
| C12 | N11 | C10 | H11 | 88.2° | 60.7° |
| N11 | C12 | H14 | H15 | 122.0° | 120.0° |
| N11 | C12 | C13 | H16 | 177.8° | 178.4° |
| N11 | C12 | C13 | H17 | 56.2° | 61.6° |
| C12 | C13 | N08 | C01 | 149.9° | 176.8° |
| C12 | C13 | N08 | H16 | 119.2° | 120.0° |
| C12 | C13 | N08 | H17 | 119.2° | 119.9° |
| C13 | C12 | H14 | H15 | 122.0° | 120.0° |
| C12 | C13 | H16 | H17 | 122.4° | 120.0° |
| N08 | C01 | C02 | C06 | 179.3° | 179.8° |
| N08 | C01 | C02 | C03 | 178.8° | 179.8° |
| N08 | C01 | C06 | C05 | 179.7° | 180.0° |
| C01 | N08 | C09 | H12 | 25.5° | 63.2° |
| C01 | N08 | C09 | H13 | 96.0° | 56.9° |
| C01 | N08 | C13 | H16 | 30.7° | 56.9° |
| C01 | N08 | C13 | H17 | 90.9° | 63.2° |
| N08 | C01 | C06 | H18 | 0.4° | 0.1° |
| N08 | C01 | C02 | H21 | 1.1° | 0.0° |
| C13 | N08 | C01 | C02 | 147.8° | 123.6° |
| C13 | N08 | C01 | C06 | 32.9° | 56.3° |
| C13 | N08 | C09 | H12 | 155.1° | 60.6° |
| C13 | N08 | C09 | H13 | 83.4° | 179.3° |
| N08 | C13 | C12 | H14 | 56.3° | 61.6° |
| N08 | C13 | C12 | H15 | 177.6° | 178.4° |
| N08 | C13 | H16 | H17 | 122.4° | 120.1° |
| C01 | C02 | C03 | H21 | 180.0° | 179.8° |
| C01 | C02 | C03 | C04 | 1.0° | 0.4° |
| C02 | C01 | C06 | C05 | 0.4° | 0.2° |
| C02 | C01 | C06 | H18 | 179.7° | 179.8° |
| C01 | C02 | C03 | H20 | 179.0° | 179.8° |
| C03 | C02 | C01 | C06 | 0.4° | 0.4° |
| C02 | C03 | C04 | H20 | 180.0° | 179.8° |
| C02 | C03 | C04 | C05 | 0.7° | 0.2° |
| C02 | C03 | C04 | H19 | 179.3° | 179.8° |
| C01 | C06 | C05 | H18 | 180.0° | 179.9° |
| C01 | C06 | C05 | C04 | 0.6° | 0.0° |
| C01 | C06 | C05 | CL7 | 179.2° | 180.0° |
| C06 | C01 | C02 | H21 | 179.6° | 179.8° |
| C03 | C04 | C05 | C06 | 0.1° | 0.0° |
| C03 | C04 | C05 | H19 | 180.0° | 180.0° |
| C03 | C04 | C05 | CL7 | 179.7° | 180.0° |
| C04 | C03 | C02 | H21 | 179.0° | 179.8° |
| C06 | C05 | C04 | CL7 | 179.8° | 180.0° |
| C06 | C05 | C04 | H19 | 179.9° | 180.0° |
| C04 | C05 | C06 | H18 | 179.4° | 180.0° |
| C05 | C04 | C03 | H20 | 179.3° | 180.0° |
| CL7 | C05 | C06 | H18 | 0.8° | 0.0° |
| CL7 | C05 | C04 | H19 | 0.3° | 0.0° |
| H1 | C30 | C29 | H2 | 0.3° | 0.1° |
| H2 | C29 | C28 | H3 | 0.5° | 0.0° |
| H8 | C18 | C19 | H9 | 0.3° | 0.0° |
| H10 | C10 | C09 | H12 | 57.8° | 58.4° |
| H10 | C10 | C09 | H13 | 63.7° | 61.7° |
| H11 | C10 | C09 | H12 | 64.0° | 178.4° |
| H11 | C10 | C09 | H13 | 174.4° | 58.3° |
| H14 | C12 | C13 | H16 | 62.8° | 58.4° |
| H14 | C12 | C13 | H17 | 175.5° | 178.4° |
| H15 | C12 | C13 | H16 | 58.5° | 61.6° |
| H15 | C12 | C13 | H17 | 63.2° | 58.4° |
| H19 | C04 | C03 | H20 | 0.7° | 0.0° |
| H20 | C03 | C02 | H21 | 0.9° | 0.0° |
