GOW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.40Å | Aromatic |
| C04 | C05 | sing | 1.40Å | 1.41Å | Aromatic |
| C01 | C02 | sing | 1.51Å | 1.49Å | |
| C02 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| N08 | O09 | sing | 1.42Å | 1.32Å | |
| N08 | C06 | sing | 1.35Å | 1.44Å | |
| C05 | C06 | sing | 1.48Å | 1.52Å | |
| C05 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | O07 | doub | 1.22Å | 1.23Å | |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | N12 | sing | 1.40Å | 1.43Å | |
| O14 | C13 | doub | 1.22Å | 1.21Å | |
| N12 | C13 | sing | 1.35Å | 1.43Å | |
| C13 | C15 | sing | 1.48Å | 1.50Å | |
| C15 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | H1 | sing | 1.08Å | 1.08Å | |
| C19 | H2 | sing | 1.08Å | 1.08Å | |
| C18 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| N12 | H6 | sing | 0.97Å | 1.00Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C04 | H11 | sing | 1.08Å | 1.08Å | |
| C03 | H12 | sing | 1.08Å | 1.08Å | |
| N08 | H13 | sing | 0.97Å | 1.00Å | |
| O09 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C03 | C02 | 120.9° | 120.2° |
| C03 | C04 | C05 | 119.9° | 120.0° |
| C03 | C04 | H11 | 120.1° | 120.0° |
| C04 | C03 | H12 | 119.6° | 119.9° |
| C03 | C02 | C01 | 121.0° | 119.9° |
| C03 | C02 | C11 | 119.0° | 120.2° |
| C02 | C03 | H12 | 119.5° | 119.9° |
| C04 | C05 | C06 | 125.5° | 120.1° |
| C04 | C05 | C10 | 118.1° | 119.8° |
| C05 | C04 | H11 | 120.0° | 120.0° |
| C01 | C02 | C11 | 120.0° | 119.9° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.4° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C11 | C10 | 119.6° | 120.0° |
| C02 | C11 | N12 | 126.5° | 120.0° |
| O09 | N08 | C06 | 121.9° | 120.0° |
| O09 | N08 | H13 | 119.0° | 120.0° |
| N08 | O09 | H14 | 109.5° | 114.0° |
| N08 | C06 | C05 | 123.4° | 120.0° |
| N08 | C06 | O07 | 116.8° | 120.0° |
| C06 | N08 | H13 | 119.1° | 119.9° |
| C06 | C05 | C10 | 116.4° | 120.1° |
| C05 | C06 | O07 | 119.8° | 120.0° |
| C05 | C10 | C11 | 122.4° | 119.8° |
| C05 | C10 | H10 | 118.8° | 120.1° |
| C10 | C11 | N12 | 113.9° | 120.0° |
| C11 | C10 | H10 | 118.8° | 120.1° |
| C11 | N12 | C13 | 125.1° | 120.0° |
| C11 | N12 | H6 | 117.5° | 120.0° |
| O14 | C13 | N12 | 119.5° | 120.0° |
| O14 | C13 | C15 | 120.8° | 120.0° |
| N12 | C13 | C15 | 119.7° | 120.0° |
| C13 | N12 | H6 | 117.4° | 120.0° |
| C13 | C15 | C20 | 118.5° | 120.1° |
| C13 | C15 | C16 | 121.5° | 120.2° |
| C20 | C15 | C16 | 119.9° | 119.7° |
| C15 | C20 | C19 | 119.6° | 119.8° |
| C15 | C20 | H1 | 120.2° | 120.1° |
| C15 | C16 | C17 | 120.7° | 119.9° |
| C15 | C16 | H5 | 119.7° | 120.0° |
| C20 | C19 | C18 | 120.3° | 120.1° |
| C19 | C20 | H1 | 120.2° | 120.1° |
| C20 | C19 | H2 | 119.9° | 119.9° |
| C16 | C17 | C18 | 119.2° | 120.1° |
| C16 | C17 | H4 | 120.4° | 120.0° |
| C17 | C16 | H5 | 119.7° | 120.1° |
| C19 | C18 | C17 | 120.3° | 120.3° |
| C18 | C19 | H2 | 119.9° | 119.9° |
| C19 | C18 | H3 | 119.9° | 119.9° |
| C17 | C18 | H3 | 119.9° | 119.8° |
| C18 | C17 | H4 | 120.4° | 119.9° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C03 | C02 | H12 | 180.0° | 179.2° |
| C03 | C04 | C05 | H11 | 180.0° | 179.5° |
| C04 | C03 | C02 | C01 | 179.8° | 179.5° |
| C04 | C03 | C02 | C11 | 0.3° | 0.5° |
| C03 | C04 | C05 | C06 | 179.3° | 179.5° |
| C03 | C04 | C05 | C10 | 0.6° | 0.5° |
| C02 | C03 | C04 | C05 | 0.2° | 0.8° |
| C03 | C02 | C01 | C11 | 179.8° | 179.9° |
| C03 | C02 | C11 | C10 | 0.6° | 0.0° |
| C03 | C02 | C11 | N12 | 179.2° | 179.7° |
| C03 | C02 | C01 | H7 | 89.9° | 90.0° |
| C03 | C02 | C01 | H8 | 150.1° | 30.0° |
| C03 | C02 | C01 | H9 | 30.1° | 150.0° |
| C02 | C03 | C04 | H11 | 179.8° | 179.8° |
| C04 | C05 | C06 | N08 | 23.4° | 0.0° |
| C04 | C05 | C06 | C10 | 178.8° | 180.0° |
| C04 | C05 | C06 | O07 | 158.8° | 179.9° |
| C04 | C05 | C10 | C11 | 0.3° | 0.0° |
| C04 | C05 | C10 | H10 | 179.7° | 180.0° |
| C05 | C04 | C03 | H12 | 179.8° | 180.0° |
| C01 | C02 | C11 | C10 | 179.6° | 179.9° |
| C01 | C02 | C11 | N12 | 0.6° | 0.2° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H9 | 120.0° | 120.0° |
| C02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C01 | C02 | C03 | H12 | 0.2° | 0.3° |
| C02 | C11 | C10 | C05 | 0.2° | 0.3° |
| C02 | C11 | C10 | N12 | 179.8° | 179.7° |
| C02 | C11 | N12 | C13 | 69.3° | 155.4° |
| C02 | C11 | N12 | H6 | 110.6° | 24.6° |
| C11 | C02 | C01 | H7 | 89.9° | 90.0° |
| C11 | C02 | C01 | H8 | 30.1° | 150.0° |
| C11 | C02 | C01 | H9 | 150.1° | 30.1° |
| C02 | C11 | C10 | H10 | 179.8° | 179.8° |
| C11 | C02 | C03 | H12 | 179.6° | 179.7° |
| O09 | N08 | C06 | H13 | 180.0° | 179.9° |
| O09 | N08 | C06 | C05 | 178.4° | 180.0° |
| O09 | N08 | C06 | O07 | 0.5° | 0.0° |
| N08 | C06 | C05 | O07 | 177.9° | 179.9° |
| N08 | C06 | C05 | C10 | 155.4° | 180.0° |
| C06 | N08 | O09 | H14 | 0.2° | 180.0° |
| C06 | C05 | C10 | C11 | 179.2° | 180.0° |
| C06 | C05 | C10 | H10 | 0.8° | 0.1° |
| C06 | C05 | C04 | H11 | 0.6° | 0.0° |
| C05 | C06 | N08 | H13 | 1.6° | 0.0° |
| C10 | C05 | C06 | O07 | 22.4° | 0.0° |
| C05 | C10 | C11 | H10 | 180.0° | 180.0° |
| C05 | C10 | C11 | N12 | 179.6° | 180.0° |
| C10 | C05 | C04 | H11 | 179.4° | 180.0° |
| O07 | C06 | N08 | H13 | 179.5° | 179.9° |
| C10 | C11 | N12 | C13 | 110.8° | 24.9° |
| C10 | C11 | N12 | H6 | 69.2° | 155.2° |
| C11 | N12 | C13 | O14 | 2.6° | 5.5° |
| C11 | N12 | C13 | H6 | 180.0° | 179.9° |
| C11 | N12 | C13 | C15 | 175.9° | 174.2° |
| N12 | C11 | C10 | H10 | 0.4° | 0.1° |
| O14 | C13 | N12 | C15 | 178.5° | 179.7° |
| O14 | C13 | C15 | C20 | 38.7° | 0.0° |
| O14 | C13 | C15 | C16 | 144.5° | 179.7° |
| O14 | C13 | N12 | H6 | 177.4° | 174.5° |
| N12 | C13 | C15 | C20 | 139.7° | 179.7° |
| N12 | C13 | C15 | C16 | 37.0° | 0.0° |
| C13 | C15 | C20 | C16 | 176.8° | 179.7° |
| C13 | C15 | C20 | C19 | 178.7° | 180.0° |
| C13 | C15 | C16 | C17 | 178.7° | 179.7° |
| C13 | C15 | C20 | H1 | 1.3° | 0.0° |
| C13 | C15 | C16 | H5 | 1.4° | 0.1° |
| C15 | C13 | N12 | H6 | 4.1° | 5.9° |
| C15 | C20 | C19 | H1 | 180.0° | 180.0° |
| C20 | C15 | C16 | C17 | 2.0° | 0.6° |
| C15 | C20 | C19 | C18 | 0.8° | 0.0° |
| C15 | C20 | C19 | H2 | 179.2° | 180.0° |
| C20 | C15 | C16 | H5 | 178.0° | 179.8° |
| C16 | C15 | C20 | C19 | 1.9° | 0.3° |
| C15 | C16 | C17 | H5 | 180.0° | 179.6° |
| C15 | C16 | C17 | C18 | 1.0° | 0.7° |
| C16 | C15 | C20 | H1 | 178.1° | 179.7° |
| C15 | C16 | C17 | H4 | 179.0° | 179.7° |
| C20 | C19 | C18 | H2 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.2° | 0.0° |
| C20 | C19 | C18 | H3 | 179.7° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.4° |
| C16 | C17 | C18 | H4 | 180.0° | 179.7° |
| C16 | C17 | C18 | H3 | 179.8° | 179.7° |
| C19 | C18 | C17 | H3 | 180.0° | 180.0° |
| C18 | C19 | C20 | H1 | 179.2° | 180.0° |
| C19 | C18 | C17 | H4 | 179.9° | 180.0° |
| C17 | C18 | C19 | H2 | 179.8° | 180.0° |
| C18 | C17 | C16 | H5 | 179.0° | 179.7° |
| H1 | C20 | C19 | H2 | 0.8° | 0.0° |
| H2 | C19 | C18 | H3 | 0.3° | 0.0° |
| H3 | C18 | C17 | H4 | 0.2° | 0.0° |
| H4 | C17 | C16 | H5 | 1.0° | 0.1° |
| H7 | C01 | H8 | H9 | 120.0° | 120.0° |
| H11 | C04 | C03 | H12 | 0.2° | 0.5° |
| H13 | N08 | O09 | H14 | 179.8° | 0.0° |
