20G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C02 | sing | 1.74Å | 1.67Å | |
| C04 | CL2 | sing | 1.74Å | 1.66Å | |
| C25 | C02 | doub | 1.38Å | 1.37Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.44Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.36Å | Aromatic |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| C06 | C04 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | C06 | doub | 1.39Å | 1.40Å | Aromatic |
| C06 | O07 | sing | 1.36Å | 1.39Å | |
| C08 | O07 | sing | 1.43Å | 1.38Å | |
| H08 | C08 | sing | 1.09Å | 1.10Å | |
| C08 | H08A | sing | 1.09Å | 1.10Å | |
| C08 | C09 | sing | 1.51Å | 1.51Å | |
| N10 | C09 | sing | 1.35Å | 1.44Å | |
| C09 | O23 | doub | 1.21Å | 1.22Å | |
| C22 | N10 | sing | 1.47Å | 1.42Å | |
| N10 | C11 | sing | 1.47Å | 1.46Å | |
| C12 | C11 | sing | 1.53Å | 1.48Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C13 | C12 | sing | 1.53Å | 1.47Å | |
| H12 | C12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| N14 | C13 | sing | 1.46Å | 1.41Å | |
| C21 | C13 | sing | 1.53Å | 1.51Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | N14 | sing | 1.35Å | 1.42Å | |
| HN14 | N14 | sing | 0.97Å | 1.00Å | |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| C15 | O20 | doub | 1.21Å | 1.23Å | |
| C17 | C16 | sing | 1.53Å | 1.47Å | |
| H16A | C16 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| S19 | C18 | sing | 1.81Å | 1.76Å | |
| H18A | C18 | sing | 1.09Å | 1.10Å | |
| H18 | C18 | sing | 1.09Å | 1.10Å | |
| S19 | HS19 | sing | 1.35Å | 1.30Å | |
| H21 | C21 | sing | 1.09Å | 1.10Å | |
| H21A | C21 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.54Å | 1.49Å | |
| H22A | C22 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| H24 | C24 | sing | 1.08Å | 1.08Å | |
| C25 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| H25 | C25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C02 | C25 | 122.2° | 120.0° |
| CL1 | C02 | C03 | 119.0° | 119.9° |
| CL2 | C04 | C03 | 117.6° | 120.0° |
| CL2 | C04 | C06 | 119.8° | 120.1° |
| C25 | C02 | C03 | 118.8° | 120.1° |
| C02 | C25 | C24 | 122.0° | 120.0° |
| C02 | C25 | H25 | 119.0° | 119.9° |
| C02 | C03 | C04 | 118.7° | 120.0° |
| C02 | C03 | H03 | 120.6° | 120.0° |
| C04 | C03 | H03 | 120.7° | 120.0° |
| C03 | C04 | C06 | 122.6° | 119.9° |
| C04 | C06 | C24 | 118.9° | 119.9° |
| C04 | C06 | O07 | 116.5° | 120.0° |
| C24 | C06 | O07 | 124.5° | 120.1° |
| C06 | C24 | H24 | 120.5° | 120.0° |
| C06 | C24 | C25 | 118.9° | 120.0° |
| C06 | O07 | C08 | 118.8° | 117.0° |
| O07 | C08 | H08 | 109.5° | 109.5° |
| O07 | C08 | H08A | 109.5° | 109.5° |
| O07 | C08 | C09 | 109.3° | 109.5° |
| H08 | C08 | H08A | 109.4° | 109.4° |
| H08 | C08 | C09 | 109.5° | 109.4° |
| H08A | C08 | C09 | 109.5° | 109.5° |
| C08 | C09 | N10 | 117.6° | 120.1° |
| C08 | C09 | O23 | 124.2° | 120.0° |
| N10 | C09 | O23 | 118.2° | 120.0° |
| C09 | N10 | C22 | 124.3° | 120.6° |
| C09 | N10 | C11 | 117.1° | 120.6° |
| C22 | N10 | C11 | 118.6° | 118.8° |
| N10 | C22 | C21 | 113.4° | 108.5° |
| N10 | C22 | H22A | 108.5° | 109.5° |
| N10 | C22 | H22 | 108.5° | 109.9° |
| N10 | C11 | C12 | 113.0° | 108.8° |
| N10 | C11 | H11 | 108.6° | 109.6° |
| N10 | C11 | H11A | 108.6° | 109.6° |
| C12 | C11 | H11 | 108.6° | 109.6° |
| C12 | C11 | H11A | 108.6° | 109.7° |
| C11 | C12 | C13 | 113.3° | 109.3° |
| C11 | C12 | H12 | 108.5° | 109.5° |
| C11 | C12 | H12A | 108.5° | 109.4° |
| H11 | C11 | H11A | 109.5° | 109.6° |
| C13 | C12 | H12 | 108.5° | 109.5° |
| C13 | C12 | H12A | 108.5° | 109.5° |
| C12 | C13 | N14 | 104.9° | 109.5° |
| C12 | C13 | C21 | 112.3° | 109.6° |
| C12 | C13 | H13 | 108.1° | 109.5° |
| H12 | C12 | H12A | 109.5° | 109.6° |
| N14 | C13 | C21 | 114.6° | 109.5° |
| N14 | C13 | H13 | 108.9° | 109.4° |
| C13 | N14 | C15 | 121.1° | 120.0° |
| C13 | N14 | HN14 | 119.4° | 120.0° |
| C21 | C13 | H13 | 107.7° | 109.4° |
| C13 | C21 | H21 | 109.0° | 109.4° |
| C13 | C21 | H21A | 109.0° | 109.5° |
| C13 | C21 | C22 | 111.4° | 109.2° |
| C15 | N14 | HN14 | 119.4° | 120.0° |
| N14 | C15 | C16 | 116.4° | 120.0° |
| N14 | C15 | O20 | 123.3° | 120.0° |
| C16 | C15 | O20 | 120.2° | 120.0° |
| C15 | C16 | C17 | 116.0° | 109.5° |
| C15 | C16 | H16A | 107.8° | 109.5° |
| C15 | C16 | H16 | 107.8° | 109.5° |
| C17 | C16 | H16A | 107.8° | 109.5° |
| C17 | C16 | H16 | 107.8° | 109.4° |
| C16 | C17 | C18 | 115.0° | 109.4° |
| C16 | C17 | H17 | 108.1° | 109.5° |
| C16 | C17 | H17A | 108.1° | 109.5° |
| H16A | C16 | H16 | 109.5° | 109.5° |
| C18 | C17 | H17 | 108.1° | 109.5° |
| C18 | C17 | H17A | 108.1° | 109.5° |
| C17 | C18 | S19 | 121.4° | 109.4° |
| C17 | C18 | H18A | 106.4° | 109.5° |
| C17 | C18 | H18 | 106.4° | 109.4° |
| H17 | C17 | H17A | 109.5° | 109.5° |
| S19 | C18 | H18A | 106.4° | 109.5° |
| S19 | C18 | H18 | 106.4° | 109.5° |
| C18 | S19 | HS19 | 102.0° | 102.9° |
| H18A | C18 | H18 | 109.4° | 109.5° |
| H21 | C21 | H21A | 109.5° | 109.5° |
| H21 | C21 | C22 | 109.0° | 109.7° |
| H21A | C21 | C22 | 109.0° | 109.4° |
| C21 | C22 | H22A | 108.5° | 109.6° |
| C21 | C22 | H22 | 108.5° | 109.6° |
| H22A | C22 | H22 | 109.5° | 109.7° |
| H24 | C24 | C25 | 120.6° | 120.0° |
| C24 | C25 | H25 | 119.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C02 | C25 | C03 | 177.7° | 179.7° |
| CL1 | C02 | C03 | C04 | 178.7° | 180.0° |
| CL1 | C02 | C03 | H03 | 1.2° | 0.2° |
| CL1 | C02 | C25 | C24 | 178.0° | 179.8° |
| CL1 | C02 | C25 | H25 | 2.1° | 0.0° |
| CL2 | C04 | C03 | C02 | 179.7° | 179.9° |
| CL2 | C04 | C03 | C06 | 177.9° | 180.0° |
| CL2 | C04 | C03 | H03 | 0.3° | 0.1° |
| CL2 | C04 | C06 | C24 | 179.7° | 180.0° |
| CL2 | C04 | C06 | O07 | 0.8° | 0.0° |
| C25 | C02 | C03 | C04 | 1.0° | 0.3° |
| C25 | C02 | C03 | H03 | 179.0° | 179.8° |
| C02 | C25 | C24 | C06 | 0.4° | 0.5° |
| C02 | C25 | C24 | H24 | 179.6° | 179.7° |
| C02 | C25 | C24 | H25 | 180.0° | 179.8° |
| C02 | C03 | C04 | H03 | 180.0° | 179.9° |
| C02 | C03 | C04 | C06 | 1.8° | 0.1° |
| C03 | C02 | C25 | C24 | 0.3° | 0.5° |
| C03 | C02 | C25 | H25 | 179.7° | 179.7° |
| C03 | C04 | C06 | C24 | 1.9° | 0.0° |
| C03 | C04 | C06 | O07 | 178.6° | 179.9° |
| H03 | C03 | C04 | C06 | 178.2° | 179.9° |
| C04 | C06 | C24 | O07 | 179.4° | 180.0° |
| C04 | C06 | O07 | C08 | 174.7° | 180.0° |
| C04 | C06 | C24 | H24 | 178.8° | 180.0° |
| C04 | C06 | C24 | C25 | 1.1° | 0.2° |
| C24 | C06 | O07 | C08 | 5.8° | 0.1° |
| C06 | C24 | H24 | C25 | 180.0° | 179.8° |
| C06 | C24 | C25 | H25 | 179.6° | 179.8° |
| C06 | O07 | C08 | H08 | 159.1° | 60.0° |
| C06 | O07 | C08 | H08A | 39.0° | 60.0° |
| C06 | O07 | C08 | C09 | 81.0° | 180.0° |
| O07 | C06 | C24 | H24 | 0.6° | 0.1° |
| O07 | C06 | C24 | C25 | 179.4° | 179.7° |
| O07 | C08 | H08 | H08A | 120.1° | 120.0° |
| O07 | C08 | H08 | C09 | 119.8° | 120.0° |
| O07 | C08 | H08A | C09 | 119.8° | 120.1° |
| O07 | C08 | C09 | N10 | 179.3° | 180.0° |
| O07 | C08 | C09 | O23 | 0.3° | 0.0° |
| H08 | C08 | H08A | C09 | 120.1° | 119.9° |
| H08 | C08 | C09 | N10 | 59.3° | 60.0° |
| H08 | C08 | C09 | O23 | 119.7° | 120.1° |
| H08A | C08 | C09 | N10 | 60.7° | 59.9° |
| H08A | C08 | C09 | O23 | 120.2° | 120.0° |
| C08 | C09 | N10 | O23 | 179.1° | 179.9° |
| C08 | C09 | N10 | C22 | 1.8° | 0.4° |
| C08 | C09 | N10 | C11 | 178.0° | 180.0° |
| C09 | N10 | C22 | C11 | 176.1° | 179.7° |
| C09 | N10 | C11 | C12 | 141.6° | 126.5° |
| C09 | N10 | C11 | H11 | 21.1° | 6.6° |
| C09 | N10 | C11 | H11A | 97.9° | 113.6° |
| C09 | N10 | C22 | C21 | 139.5° | 126.4° |
| C09 | N10 | C22 | H22A | 99.9° | 6.8° |
| C09 | N10 | C22 | H22 | 19.0° | 113.8° |
| O23 | C09 | N10 | C22 | 177.3° | 179.7° |
| O23 | C09 | N10 | C11 | 1.2° | 0.0° |
| C22 | N10 | C11 | C12 | 42.1° | 53.9° |
| C22 | N10 | C11 | H11 | 162.6° | 173.7° |
| C22 | N10 | C11 | H11A | 78.5° | 66.0° |
| N10 | C22 | C21 | C13 | 48.6° | 54.8° |
| N10 | C22 | C21 | H21 | 71.7° | 65.1° |
| N10 | C22 | C21 | H21A | 168.8° | 174.7° |
| N10 | C22 | C21 | H22A | 120.6° | 119.5° |
| N10 | C22 | C21 | H22 | 120.6° | 120.0° |
| N10 | C22 | H22A | H22 | 118.2° | 120.7° |
| N10 | C11 | C12 | H11 | 120.5° | 119.8° |
| N10 | C11 | C12 | H11A | 120.5° | 119.8° |
| N10 | C11 | H11 | H11A | 118.4° | 120.2° |
| N10 | C11 | C12 | C13 | 44.9° | 54.6° |
| N10 | C11 | C12 | H12 | 75.6° | 65.4° |
| N10 | C11 | C12 | H12A | 165.5° | 174.6° |
| C11 | N10 | C22 | C21 | 44.4° | 53.9° |
| C11 | N10 | C22 | H22A | 76.2° | 173.5° |
| C11 | N10 | C22 | H22 | 165.0° | 65.9° |
| C12 | C11 | H11 | H11A | 118.4° | 120.5° |
| C11 | C12 | C13 | H12 | 120.6° | 119.9° |
| C11 | C12 | C13 | H12A | 120.6° | 119.9° |
| C11 | C12 | H12 | H12A | 118.2° | 120.0° |
| C11 | C12 | C13 | N14 | 177.1° | 178.6° |
| C11 | C12 | C13 | C21 | 52.0° | 61.4° |
| C11 | C12 | C13 | H13 | 66.7° | 58.7° |
| H11 | C11 | C12 | C13 | 165.4° | 174.4° |
| H11 | C11 | C12 | H12 | 44.9° | 54.4° |
| H11 | C11 | C12 | H12A | 74.0° | 65.6° |
| H11A | C11 | C12 | C13 | 75.6° | 65.2° |
| H11A | C11 | C12 | H12 | 163.8° | 174.8° |
| H11A | C11 | C12 | H12A | 45.0° | 54.8° |
| C13 | C12 | H12 | H12A | 118.3° | 120.2° |
| C12 | C13 | N14 | C21 | 123.7° | 120.1° |
| C12 | C13 | N14 | H13 | 115.6° | 120.0° |
| C12 | C13 | C21 | H13 | 119.0° | 120.0° |
| C12 | C13 | N14 | C15 | 128.3° | 155.0° |
| C12 | C13 | N14 | HN14 | 51.7° | 25.0° |
| C12 | C13 | C21 | H21 | 67.0° | 58.6° |
| C12 | C13 | C21 | H21A | 173.5° | 178.7° |
| C12 | C13 | C21 | C22 | 53.2° | 61.5° |
| H12 | C12 | C13 | N14 | 56.6° | 61.5° |
| H12 | C12 | C13 | C21 | 68.6° | 58.6° |
| H12 | C12 | C13 | H13 | 172.7° | 178.6° |
| H12A | C12 | C13 | N14 | 62.3° | 58.7° |
| H12A | C12 | C13 | C21 | 172.6° | 178.8° |
| H12A | C12 | C13 | H13 | 53.8° | 61.2° |
| N14 | C13 | C21 | H13 | 121.4° | 119.9° |
| C13 | N14 | C15 | HN14 | 180.0° | 180.0° |
| C13 | N14 | C15 | C16 | 177.6° | 180.0° |
| C13 | N14 | C15 | O20 | 1.1° | 0.0° |
| N14 | C13 | C21 | H21 | 52.6° | 61.5° |
| N14 | C13 | C21 | H21A | 66.9° | 58.6° |
| N14 | C13 | C21 | C22 | 172.9° | 178.4° |
| C21 | C13 | N14 | C15 | 108.0° | 84.9° |
| C21 | C13 | N14 | HN14 | 72.0° | 95.1° |
| C13 | C21 | H21 | H21A | 119.1° | 120.1° |
| C13 | C21 | H21 | C22 | 121.8° | 119.8° |
| C13 | C21 | H21A | C22 | 121.8° | 119.7° |
| C13 | C21 | C22 | H22A | 72.0° | 174.4° |
| C13 | C21 | C22 | H22 | 169.1° | 65.2° |
| H13 | C13 | N14 | C15 | 12.7° | 35.0° |
| H13 | C13 | N14 | HN14 | 167.3° | 145.0° |
| H13 | C13 | C21 | H21 | 174.0° | 178.6° |
| H13 | C13 | C21 | H21A | 54.6° | 61.3° |
| H13 | C13 | C21 | C22 | 65.7° | 58.5° |
| N14 | C15 | C16 | O20 | 176.6° | 180.0° |
| N14 | C15 | C16 | C17 | 161.1° | 180.0° |
| N14 | C15 | C16 | H16A | 40.2° | 60.0° |
| N14 | C15 | C16 | H16 | 78.0° | 60.0° |
| HN14 | N14 | C15 | C16 | 2.4° | 0.0° |
| HN14 | N14 | C15 | O20 | 178.9° | 180.0° |
| C15 | C16 | C17 | H16A | 120.9° | 120.0° |
| C15 | C16 | C17 | H16 | 121.0° | 120.0° |
| C15 | C16 | H16A | H16 | 117.0° | 120.0° |
| C15 | C16 | C17 | C18 | 125.8° | 180.0° |
| C15 | C16 | C17 | H17 | 113.5° | 60.0° |
| C15 | C16 | C17 | H17A | 4.9° | 60.0° |
| O20 | C15 | C16 | C17 | 22.3° | 0.0° |
| O20 | C15 | C16 | H16A | 143.2° | 120.0° |
| O20 | C15 | C16 | H16 | 98.6° | 120.0° |
| C17 | C16 | H16A | H16 | 117.0° | 120.0° |
| C16 | C17 | C18 | H17 | 120.8° | 120.0° |
| C16 | C17 | C18 | H17A | 120.8° | 120.0° |
| C16 | C17 | H17 | H17A | 117.5° | 120.0° |
| C16 | C17 | C18 | S19 | 71.4° | 180.0° |
| C16 | C17 | C18 | H18A | 50.2° | 60.0° |
| C16 | C17 | C18 | H18 | 166.9° | 60.0° |
| H16A | C16 | C17 | C18 | 4.8° | 60.0° |
| H16A | C16 | C17 | H17 | 125.6° | 60.0° |
| H16A | C16 | C17 | H17A | 116.0° | NaN° |
| H16 | C16 | C17 | C18 | 113.3° | 60.0° |
| H16 | C16 | C17 | H17 | 7.5° | 180.0° |
| H16 | C16 | C17 | H17A | 125.9° | 60.0° |
| C18 | C17 | H17 | H17A | 117.5° | 120.0° |
| C17 | C18 | S19 | H18A | 121.7° | 120.0° |
| C17 | C18 | S19 | H18 | 121.7° | 119.9° |
| C17 | C18 | H18A | H18 | 114.6° | 120.0° |
| C17 | C18 | S19 | HS19 | 180.0° | 180.0° |
| H17 | C17 | C18 | S19 | 167.8° | 60.0° |
| H17 | C17 | C18 | H18A | 70.5° | 60.0° |
| H17 | C17 | C18 | H18 | 46.1° | 180.0° |
| H17A | C17 | C18 | S19 | 49.4° | 60.0° |
| H17A | C17 | C18 | H18A | 171.1° | 180.0° |
| H17A | C17 | C18 | H18 | 72.3° | 59.9° |
| S19 | C18 | H18A | H18 | 114.6° | 120.1° |
| H18A | C18 | S19 | HS19 | 58.3° | 60.0° |
| H18 | C18 | S19 | HS19 | 58.3° | 60.1° |
| H21 | C21 | H21A | C22 | 119.1° | 120.3° |
| H21 | C21 | C22 | H22A | 167.7° | 54.5° |
| H21 | C21 | C22 | H22 | 48.8° | 174.9° |
| H21A | C21 | C22 | H22A | 48.3° | 65.7° |
| H21A | C21 | C22 | H22 | 70.6° | 54.7° |
| C21 | C22 | H22A | H22 | 118.2° | 120.4° |
| H24 | C24 | C25 | H25 | 0.4° | 0.0° |
