G3C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL2 | C20 | sing | 1.74Å | 1.78Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | N16 | sing | 1.47Å | 1.45Å | |
| C18 | C19 | sing | 1.51Å | 1.55Å | |
| N16 | C15 | sing | 1.47Å | 1.45Å | |
| C20 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| C20 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C06 | sing | 1.38Å | 1.37Å | Aromatic |
| O01 | C02 | sing | 1.36Å | 1.40Å | |
| C15 | C07 | sing | 1.53Å | 1.52Å | |
| C02 | C03 | doub | 1.39Å | 1.40Å | Aromatic |
| C06 | C07 | sing | 1.51Å | 1.55Å | |
| C06 | C05 | doub | 1.39Å | 1.41Å | Aromatic |
| C07 | C08 | sing | 1.51Å | 1.53Å | |
| C03 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
| C03 | O04 | sing | 1.36Å | 1.40Å | |
| C08 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | O12 | sing | 1.36Å | 1.40Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| N16 | H13 | sing | 1.01Å | 1.00Å | |
| O01 | H15 | sing | 0.97Å | 0.95Å | |
| O04 | H16 | sing | 0.97Å | 0.95Å | |
| O12 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL2 | C20 | C19 | 120.1° | 119.9° |
| CL2 | C20 | C02 | 120.5° | 119.8° |
| C18 | C17 | N16 | 114.1° | 107.1° |
| C17 | C18 | C19 | 113.9° | 111.8° |
| C18 | C17 | H5 | 108.3° | 110.0° |
| C18 | C17 | H6 | 108.3° | 109.9° |
| C17 | C18 | H11 | 108.4° | 108.9° |
| C17 | C18 | H12 | 108.4° | 109.0° |
| C17 | N16 | C15 | 114.6° | 111.5° |
| N16 | C17 | H5 | 108.3° | 109.9° |
| N16 | C17 | H6 | 108.3° | 109.9° |
| C17 | N16 | H13 | 108.2° | 111.0° |
| C18 | C19 | C20 | 118.0° | 118.7° |
| C18 | C19 | C06 | 121.4° | 121.1° |
| C19 | C18 | H11 | 108.4° | 109.0° |
| C19 | C18 | H12 | 108.3° | 109.1° |
| N16 | C15 | C07 | 113.9° | 107.3° |
| N16 | C15 | H3 | 108.3° | 109.9° |
| N16 | C15 | H4 | 108.4° | 110.0° |
| C15 | N16 | H13 | 108.2° | 111.1° |
| C19 | C20 | C02 | 119.4° | 120.3° |
| C20 | C19 | C06 | 120.6° | 120.2° |
| C20 | C02 | O01 | 119.9° | 120.2° |
| C20 | C02 | C03 | 120.1° | 119.6° |
| C19 | C06 | C07 | 120.0° | 122.3° |
| C19 | C06 | C05 | 120.2° | 119.7° |
| O01 | C02 | C03 | 120.0° | 120.2° |
| C02 | O01 | H15 | 109.5° | 114.0° |
| C15 | C07 | C06 | 111.8° | 112.2° |
| C15 | C07 | C08 | 106.5° | 109.0° |
| C07 | C15 | H3 | 108.4° | 109.9° |
| C07 | C15 | H4 | 108.4° | 109.9° |
| C15 | C07 | H8 | 108.9° | 108.9° |
| C02 | C03 | C05 | 120.3° | 119.8° |
| C02 | C03 | O04 | 119.8° | 120.1° |
| C07 | C06 | C05 | 119.7° | 118.0° |
| C06 | C07 | C08 | 112.1° | 108.9° |
| C06 | C07 | H8 | 108.6° | 108.9° |
| C06 | C05 | C03 | 119.3° | 120.5° |
| C06 | C05 | H7 | 120.3° | 119.7° |
| C07 | C08 | C14 | 120.6° | 119.9° |
| C07 | C08 | C09 | 119.4° | 120.0° |
| C08 | C07 | H8 | 108.8° | 108.9° |
| C05 | C03 | O04 | 119.9° | 120.1° |
| C03 | C05 | H7 | 120.3° | 119.8° |
| C03 | O04 | H16 | 109.5° | 114.0° |
| C14 | C08 | C09 | 120.0° | 120.1° |
| C08 | C14 | C13 | 119.9° | 120.0° |
| C08 | C14 | H10 | 120.0° | 120.0° |
| C08 | C09 | C10 | 120.1° | 120.1° |
| C08 | C09 | H9 | 119.9° | 119.9° |
| C14 | C13 | C11 | 120.1° | 120.0° |
| C14 | C13 | H2 | 120.0° | 120.0° |
| C13 | C14 | H10 | 120.1° | 119.9° |
| C09 | C10 | C11 | 119.9° | 120.0° |
| C09 | C10 | H1 | 120.1° | 120.0° |
| C10 | C09 | H9 | 120.0° | 120.0° |
| C13 | C11 | C10 | 120.1° | 119.8° |
| C13 | C11 | O12 | 120.0° | 120.0° |
| C11 | C13 | H2 | 120.0° | 120.0° |
| C10 | C11 | O12 | 119.9° | 120.1° |
| C11 | C10 | H1 | 120.0° | 120.0° |
| C11 | O12 | H17 | 109.5° | 114.0° |
| H3 | C15 | H4 | 109.5° | 109.8° |
| H5 | C17 | H6 | 109.5° | 110.0° |
| H11 | C18 | H12 | 109.4° | 108.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL2 | C20 | C19 | C18 | 0.3° | 1.0° |
| CL2 | C20 | C19 | C02 | 179.9° | 180.0° |
| CL2 | C20 | C19 | C06 | 179.9° | 179.7° |
| CL2 | C20 | C02 | O01 | 0.0° | 0.2° |
| CL2 | C20 | C02 | C03 | 180.0° | 179.8° |
| C18 | C17 | N16 | H5 | 120.7° | 119.4° |
| C18 | C17 | N16 | H6 | 120.7° | 119.4° |
| C17 | C18 | C19 | H11 | 120.7° | 120.5° |
| C17 | C18 | C19 | H12 | 120.7° | 120.7° |
| C18 | C17 | N16 | C15 | 68.1° | 32.9° |
| C17 | C18 | C19 | C20 | 118.5° | 131.6° |
| C17 | C18 | C19 | C06 | 61.9° | 49.1° |
| C18 | C17 | H5 | H6 | 117.9° | 121.2° |
| C17 | C18 | H11 | H12 | 118.0° | 118.8° |
| C18 | C17 | N16 | H13 | 171.1° | 91.4° |
| N16 | C17 | C18 | C19 | 79.1° | 93.9° |
| C17 | N16 | C15 | H13 | 120.8° | 124.3° |
| C17 | N16 | C15 | C07 | 71.4° | 60.7° |
| C17 | N16 | C15 | H3 | 49.2° | 179.8° |
| C17 | N16 | C15 | H4 | 168.0° | 58.8° |
| N16 | C17 | H5 | H6 | 117.9° | 121.1° |
| N16 | C17 | C18 | H11 | 41.6° | 145.5° |
| N16 | C17 | C18 | H12 | 160.3° | 26.8° |
| C18 | C19 | C20 | C06 | 179.6° | 179.3° |
| C18 | C19 | C20 | C02 | 179.8° | 179.0° |
| C18 | C19 | C06 | C07 | 0.2° | 1.6° |
| C18 | C19 | C06 | C05 | 179.6° | 178.7° |
| C19 | C18 | C17 | H5 | 41.6° | 146.7° |
| C19 | C18 | C17 | H6 | 160.3° | 25.5° |
| C19 | C18 | H11 | H12 | 117.9° | 118.9° |
| N16 | C15 | C07 | H3 | 120.6° | 119.5° |
| N16 | C15 | C07 | H4 | 120.7° | 119.6° |
| N16 | C15 | C07 | C06 | 83.8° | 92.3° |
| N16 | C15 | C07 | C08 | 153.4° | 147.0° |
| N16 | C15 | H3 | H4 | 118.0° | 121.1° |
| C15 | N16 | C17 | H5 | 52.6° | 152.3° |
| C15 | N16 | C17 | H6 | 171.2° | 86.5° |
| N16 | C15 | C07 | H8 | 36.2° | 28.3° |
| C19 | C20 | C02 | O01 | 179.8° | 179.8° |
| C19 | C20 | C02 | C03 | 0.1° | 0.3° |
| C20 | C19 | C06 | C07 | 179.8° | 179.1° |
| C20 | C19 | C06 | C05 | 0.1° | 0.6° |
| C20 | C19 | C18 | H11 | 120.8° | 11.0° |
| C20 | C19 | C18 | H12 | 2.1° | 107.8° |
| C02 | C20 | C19 | C06 | 0.2° | 0.3° |
| C20 | C02 | O01 | C03 | 180.0° | 179.9° |
| C20 | C02 | C03 | C05 | 0.1° | 0.4° |
| C20 | C02 | C03 | O04 | 180.0° | 179.7° |
| C20 | C02 | O01 | H15 | 180.0° | 90.0° |
| C19 | C06 | C07 | C15 | 62.4° | 29.2° |
| C19 | C06 | C07 | C05 | 179.9° | 179.7° |
| C19 | C06 | C07 | C08 | 178.1° | 149.9° |
| C19 | C06 | C05 | C03 | 0.2° | 0.5° |
| C19 | C06 | C05 | H7 | 179.8° | 179.5° |
| C19 | C06 | C07 | H8 | 57.8° | 91.5° |
| C06 | C19 | C18 | H11 | 58.8° | 169.6° |
| C06 | C19 | C18 | H12 | 177.4° | 71.6° |
| O01 | C02 | C03 | C05 | 179.9° | 179.7° |
| O01 | C02 | C03 | O04 | 0.0° | 0.3° |
| C15 | C07 | C06 | C08 | 119.6° | 120.7° |
| C15 | C07 | C06 | H8 | 120.2° | 120.6° |
| C15 | C07 | C06 | C05 | 117.8° | 151.1° |
| C15 | C07 | C08 | H8 | 117.3° | 118.7° |
| C15 | C07 | C08 | C14 | 35.0° | 120.0° |
| C15 | C07 | C08 | C09 | 143.9° | 59.1° |
| C07 | C15 | H3 | H4 | 118.0° | 121.0° |
| C07 | C15 | N16 | H13 | 167.8° | 175.0° |
| C02 | C03 | C05 | C06 | 0.3° | 0.0° |
| C02 | C03 | C05 | O04 | 179.9° | 179.9° |
| C02 | C03 | C05 | H7 | 179.7° | 180.0° |
| C03 | C02 | O01 | H15 | 0.1° | 90.0° |
| C02 | C03 | O04 | H16 | 180.0° | 90.0° |
| C06 | C07 | C08 | H8 | 120.1° | 118.7° |
| C07 | C06 | C05 | C03 | 180.0° | 179.2° |
| C06 | C07 | C08 | C14 | 87.7° | 117.4° |
| C06 | C07 | C08 | C09 | 93.5° | 63.5° |
| C06 | C07 | C15 | H3 | 36.8° | 148.2° |
| C06 | C07 | C15 | H4 | 155.5° | 27.2° |
| C07 | C06 | C05 | H7 | 0.1° | 0.8° |
| C05 | C06 | C07 | C08 | 1.8° | 30.4° |
| C06 | C05 | C03 | H7 | 180.0° | 180.0° |
| C06 | C05 | C03 | O04 | 179.8° | 180.0° |
| C05 | C06 | C07 | H8 | 122.0° | 88.3° |
| C07 | C08 | C14 | C09 | 178.8° | 179.1° |
| C07 | C08 | C14 | C13 | 179.6° | 180.0° |
| C07 | C08 | C09 | C10 | 179.7° | 179.8° |
| C08 | C07 | C15 | H3 | 86.0° | 27.5° |
| C08 | C07 | C15 | H4 | 32.7° | 93.4° |
| C07 | C08 | C09 | H9 | 0.3° | 0.3° |
| C07 | C08 | C14 | H10 | 0.3° | 0.0° |
| C05 | C03 | O04 | H16 | 0.1° | 90.0° |
| O04 | C03 | C05 | H7 | 0.2° | 0.0° |
| C08 | C14 | C13 | H10 | 180.0° | 180.0° |
| C14 | C08 | C09 | C10 | 0.8° | 0.7° |
| C08 | C14 | C13 | C11 | 0.5° | 0.6° |
| C08 | C14 | C13 | H2 | 179.6° | 179.4° |
| C14 | C08 | C07 | H8 | 152.2° | 1.3° |
| C14 | C08 | C09 | H9 | 179.2° | 179.4° |
| C09 | C08 | C14 | C13 | 0.8° | 0.9° |
| C08 | C09 | C10 | H9 | 180.0° | 179.9° |
| C08 | C09 | C10 | C11 | 0.5° | 0.1° |
| C08 | C09 | C10 | H1 | 179.5° | 179.7° |
| C09 | C08 | C07 | H8 | 26.6° | 177.8° |
| C09 | C08 | C14 | H10 | 179.2° | 179.1° |
| C14 | C13 | C11 | H2 | 180.0° | 180.0° |
| C14 | C13 | C11 | C10 | 0.1° | 0.1° |
| C14 | C13 | C11 | O12 | 179.9° | 180.0° |
| C09 | C10 | C11 | C13 | 0.1° | 0.2° |
| C09 | C10 | C11 | H1 | 180.0° | 179.8° |
| C09 | C10 | C11 | O12 | 179.9° | 179.7° |
| C13 | C11 | C10 | O12 | 179.9° | 179.9° |
| C13 | C11 | C10 | H1 | 179.9° | 180.0° |
| C11 | C13 | C14 | H10 | 179.5° | 179.4° |
| C13 | C11 | O12 | H17 | 180.0° | 90.0° |
| C10 | C11 | C13 | H2 | 179.9° | 179.9° |
| C11 | C10 | C09 | H9 | 179.5° | 180.0° |
| C10 | C11 | O12 | H17 | 0.0° | 90.0° |
| O12 | C11 | C10 | H1 | 0.1° | 0.0° |
| O12 | C11 | C13 | H2 | 0.0° | 0.0° |
| H1 | C10 | C09 | H9 | 0.5° | 0.2° |
| H2 | C13 | C14 | H10 | 0.5° | 0.6° |
| H3 | C15 | C07 | H8 | 156.8° | 91.1° |
| H3 | C15 | N16 | H13 | 71.6° | 55.5° |
| H4 | C15 | C07 | H8 | 84.5° | 147.9° |
| H4 | C15 | N16 | H13 | 47.2° | 65.5° |
| H5 | C17 | C18 | H11 | 162.3° | 26.1° |
| H5 | C17 | C18 | H12 | 79.0° | 92.6° |
| H5 | C17 | N16 | H13 | 68.2° | 28.0° |
| H6 | C17 | C18 | H11 | 79.1° | 95.1° |
| H6 | C17 | C18 | H12 | 39.6° | 146.2° |
| H6 | C17 | N16 | H13 | 50.4° | 149.1° |






