O6W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | N27 | doub | 1.31Å | 1.33Å | Aromatic |
| C25 | C24 | sing | 1.40Å | 1.42Å | Aromatic |
| C22 | C24 | doub | 1.40Å | 1.42Å | Aromatic |
| C22 | C20 | sing | 1.36Å | 1.36Å | Aromatic |
| N27 | C28 | sing | 1.33Å | 1.34Å | Aromatic |
| C24 | C32 | sing | 1.42Å | 1.41Å | Aromatic |
| C20 | C19 | doub | 1.40Å | 1.39Å | Aromatic |
| C28 | C30 | doub | 1.36Å | 1.36Å | Aromatic |
| C32 | C30 | sing | 1.41Å | 1.41Å | Aromatic |
| C32 | C33 | doub | 1.40Å | 1.41Å | Aromatic |
| C19 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | N17 | sing | 1.39Å | 1.44Å | |
| N17 | S14 | sing | 1.66Å | 1.61Å | |
| O15 | S14 | doub | 1.42Å | 1.43Å | |
| S14 | O16 | doub | 1.42Å | 1.43Å | |
| S14 | C11 | sing | 1.81Å | 1.79Å | |
| C11 | C08 | sing | 1.53Å | 1.51Å | |
| C08 | C05 | sing | 1.53Å | 1.51Å | |
| F03 | C02 | sing | 1.40Å | 1.33Å | |
| C05 | C02 | sing | 1.53Å | 1.47Å | |
| C02 | F04 | sing | 1.40Å | 1.33Å | |
| C02 | F01 | sing | 1.40Å | 1.32Å | |
| C20 | H1 | sing | 1.08Å | 1.08Å | |
| C22 | H2 | sing | 1.08Å | 1.08Å | |
| C28 | H3 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| N17 | H10 | sing | 0.97Å | 1.00Å | |
| C25 | H11 | sing | 1.08Å | 1.08Å | |
| C30 | H12 | sing | 1.08Å | 1.08Å | |
| C33 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N27 | C25 | C24 | 123.9° | 119.9° |
| C25 | N27 | C28 | 117.8° | 122.8° |
| N27 | C25 | H11 | 118.0° | 120.0° |
| C25 | C24 | C22 | 124.4° | 121.9° |
| C25 | C24 | C32 | 116.9° | 118.6° |
| C24 | C25 | H11 | 118.0° | 120.1° |
| C24 | C22 | C20 | 120.7° | 119.7° |
| C22 | C24 | C32 | 118.8° | 119.6° |
| C24 | C22 | H2 | 119.7° | 120.1° |
| C22 | C20 | C19 | 120.9° | 121.0° |
| C22 | C20 | H1 | 119.5° | 119.5° |
| C20 | C22 | H2 | 119.7° | 120.1° |
| N27 | C28 | C30 | 124.0° | 121.9° |
| N27 | C28 | H3 | 118.0° | 119.1° |
| C24 | C32 | C30 | 118.4° | 118.2° |
| C24 | C32 | C33 | 119.1° | 119.7° |
| C20 | C19 | C33 | 119.7° | 120.7° |
| C20 | C19 | N17 | 120.5° | 119.6° |
| C19 | C20 | H1 | 119.5° | 119.5° |
| C28 | C30 | C32 | 119.1° | 118.7° |
| C30 | C28 | H3 | 118.0° | 119.1° |
| C28 | C30 | H12 | 120.5° | 120.7° |
| C30 | C32 | C33 | 122.5° | 122.1° |
| C32 | C30 | H12 | 120.5° | 120.7° |
| C32 | C33 | C19 | 120.8° | 119.3° |
| C32 | C33 | H13 | 119.6° | 120.3° |
| C33 | C19 | N17 | 119.8° | 119.7° |
| C19 | C33 | H13 | 119.6° | 120.3° |
| C19 | N17 | S14 | 122.8° | 120.0° |
| C19 | N17 | H10 | 106.0° | 120.0° |
| N17 | S14 | O15 | 106.5° | 104.3° |
| N17 | S14 | O16 | 106.3° | 104.3° |
| N17 | S14 | C11 | 112.7° | 104.4° |
| S14 | N17 | H10 | 106.0° | 120.0° |
| O15 | S14 | O16 | 118.6° | 121.0° |
| O15 | S14 | C11 | 106.5° | 110.5° |
| O16 | S14 | C11 | 106.5° | 110.5° |
| S14 | C11 | C08 | 111.1° | 109.5° |
| S14 | C11 | H8 | 109.1° | 109.4° |
| S14 | C11 | H9 | 109.1° | 109.5° |
| C11 | C08 | C05 | 109.4° | 109.5° |
| C11 | C08 | H6 | 109.5° | 109.4° |
| C11 | C08 | H7 | 109.5° | 109.5° |
| C08 | C11 | H8 | 109.0° | 109.5° |
| C08 | C11 | H9 | 109.1° | 109.5° |
| C08 | C05 | C02 | 113.2° | 109.5° |
| C08 | C05 | H4 | 108.5° | 109.4° |
| C08 | C05 | H5 | 108.5° | 109.5° |
| C05 | C08 | H6 | 109.5° | 109.5° |
| C05 | C08 | H7 | 109.5° | 109.5° |
| F03 | C02 | C05 | 115.8° | 109.5° |
| F03 | C02 | F04 | 106.6° | 109.4° |
| F03 | C02 | F01 | 106.1° | 109.5° |
| C05 | C02 | F04 | 111.0° | 109.4° |
| C05 | C02 | F01 | 109.9° | 109.5° |
| C02 | C05 | H4 | 108.5° | 109.5° |
| C02 | C05 | H5 | 108.5° | 109.5° |
| F04 | C02 | F01 | 107.0° | 109.5° |
| H4 | C05 | H5 | 109.5° | 109.5° |
| H6 | C08 | H7 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N27 | C25 | C24 | H11 | 180.0° | 179.9° |
| N27 | C25 | C24 | C22 | 179.9° | 180.0° |
| N27 | C25 | C24 | C32 | 0.3° | 0.0° |
| C25 | N27 | C28 | C30 | 0.2° | 0.0° |
| C25 | N27 | C28 | H3 | 179.8° | 180.0° |
| C25 | C24 | C22 | C32 | 179.6° | 179.9° |
| C25 | C24 | C22 | C20 | 179.3° | 180.0° |
| C24 | C25 | N27 | C28 | 0.2° | 0.0° |
| C25 | C24 | C32 | C30 | 0.1° | 0.0° |
| C25 | C24 | C32 | C33 | 179.6° | 179.8° |
| C25 | C24 | C22 | H2 | 0.7° | 0.1° |
| C24 | C22 | C20 | H2 | 180.0° | 180.0° |
| C24 | C22 | C20 | C19 | 0.4° | 0.0° |
| C22 | C24 | C32 | C30 | 179.7° | 179.9° |
| C22 | C24 | C32 | C33 | 0.0° | 0.3° |
| C24 | C22 | C20 | H1 | 179.6° | 179.7° |
| C22 | C24 | C25 | H11 | 0.1° | 0.1° |
| C20 | C22 | C24 | C32 | 0.2° | 0.0° |
| C22 | C20 | C19 | H1 | 180.0° | 179.7° |
| C22 | C20 | C19 | C33 | 0.3° | 0.3° |
| C22 | C20 | C19 | N17 | 179.8° | 179.7° |
| N27 | C28 | C30 | H3 | 180.0° | 180.0° |
| N27 | C28 | C30 | C32 | 0.4° | 0.1° |
| C28 | N27 | C25 | H11 | 179.8° | 179.9° |
| N27 | C28 | C30 | H12 | 179.6° | 180.0° |
| C24 | C32 | C30 | C28 | 0.3° | 0.1° |
| C24 | C32 | C30 | C33 | 179.7° | 179.8° |
| C24 | C32 | C33 | C19 | 0.1° | 0.6° |
| C32 | C24 | C22 | H2 | 179.8° | 180.0° |
| C32 | C24 | C25 | H11 | 179.7° | 180.0° |
| C24 | C32 | C30 | H12 | 179.7° | 180.0° |
| C24 | C32 | C33 | H13 | 179.9° | 180.0° |
| C20 | C19 | C33 | C32 | 0.1° | 0.6° |
| C20 | C19 | C33 | N17 | 179.5° | 179.9° |
| C20 | C19 | N17 | S14 | 170.6° | 44.9° |
| C19 | C20 | C22 | H2 | 179.6° | 180.0° |
| C20 | C19 | N17 | H10 | 48.8° | 135.0° |
| C20 | C19 | C33 | H13 | 179.9° | 179.9° |
| C28 | C30 | C32 | H12 | 180.0° | 179.9° |
| C28 | C30 | C32 | C33 | 179.9° | 179.7° |
| C30 | C32 | C33 | C19 | 179.6° | 179.6° |
| C32 | C30 | C28 | H3 | 179.6° | 179.9° |
| C30 | C32 | C33 | H13 | 0.4° | 0.2° |
| C32 | C33 | C19 | H13 | 180.0° | 179.4° |
| C32 | C33 | C19 | N17 | 179.6° | 179.5° |
| C33 | C32 | C30 | H12 | 0.1° | 0.2° |
| C33 | C19 | N17 | S14 | 9.9° | 135.0° |
| C33 | C19 | C20 | H1 | 179.7° | 179.9° |
| C33 | C19 | N17 | H10 | 131.8° | 45.0° |
| C19 | N17 | S14 | H10 | 121.8° | 180.0° |
| C19 | N17 | S14 | O15 | 53.6° | 51.0° |
| C19 | N17 | S14 | O16 | 179.0° | 178.9° |
| C19 | N17 | S14 | C11 | 62.8° | 65.0° |
| N17 | C19 | C20 | H1 | 0.2° | 0.0° |
| N17 | C19 | C33 | H13 | 0.4° | 0.0° |
| N17 | S14 | O15 | O16 | 119.7° | 116.8° |
| N17 | S14 | O15 | C11 | 120.5° | 111.7° |
| N17 | S14 | O16 | C11 | 120.4° | 111.7° |
| N17 | S14 | C11 | C08 | 58.0° | 180.0° |
| N17 | S14 | C11 | H8 | 62.2° | 60.0° |
| N17 | S14 | C11 | H9 | 178.3° | 60.0° |
| O15 | S14 | O16 | C11 | 119.8° | 131.5° |
| O15 | S14 | C11 | C08 | 174.5° | 68.4° |
| O15 | S14 | C11 | H8 | 54.3° | 171.6° |
| O15 | S14 | C11 | H9 | 65.3° | 51.6° |
| O15 | S14 | N17 | H10 | 68.2° | 129.0° |
| O16 | S14 | C11 | C08 | 58.1° | 68.4° |
| O16 | S14 | C11 | H8 | 178.4° | 51.7° |
| O16 | S14 | C11 | H9 | 62.1° | 171.6° |
| O16 | S14 | N17 | H10 | 59.1° | 1.1° |
| S14 | C11 | C08 | H8 | 120.3° | 120.0° |
| S14 | C11 | C08 | H9 | 120.2° | 120.0° |
| S14 | C11 | C08 | C05 | 120.4° | 180.0° |
| S14 | C11 | C08 | H6 | 0.5° | 60.0° |
| S14 | C11 | C08 | H7 | 119.6° | 60.0° |
| S14 | C11 | H8 | H9 | 119.3° | 120.0° |
| C11 | S14 | N17 | H10 | 175.4° | 115.0° |
| C11 | C08 | C05 | H6 | 120.0° | 120.0° |
| C11 | C08 | C05 | H7 | 120.0° | 120.0° |
| C11 | C08 | C05 | C02 | 144.2° | 180.0° |
| C11 | C08 | C05 | H4 | 23.6° | 60.0° |
| C11 | C08 | C05 | H5 | 95.3° | 60.0° |
| C11 | C08 | H6 | H7 | 120.0° | 120.0° |
| C08 | C11 | H8 | H9 | 119.2° | 120.0° |
| C08 | C05 | C02 | F03 | 27.2° | 180.0° |
| C08 | C05 | C02 | H4 | 120.6° | 120.0° |
| C08 | C05 | C02 | H5 | 120.5° | 120.0° |
| C08 | C05 | C02 | F04 | 94.4° | 60.1° |
| C08 | C05 | C02 | F01 | 147.4° | 60.0° |
| C08 | C05 | H4 | H5 | 118.3° | 120.0° |
| C05 | C08 | H6 | H7 | 120.0° | 120.0° |
| C05 | C08 | C11 | H8 | 119.3° | 60.0° |
| C05 | C08 | C11 | H9 | 0.2° | 60.0° |
| F03 | C02 | C05 | F04 | 121.7° | 119.9° |
| F03 | C02 | C05 | F01 | 120.2° | 120.1° |
| F03 | C02 | F04 | F01 | 113.2° | 120.0° |
| F03 | C02 | C05 | H4 | 147.8° | 60.1° |
| F03 | C02 | C05 | H5 | 93.3° | 59.9° |
| C05 | C02 | F04 | F01 | 119.9° | 120.0° |
| C02 | C05 | H4 | H5 | 118.3° | 120.0° |
| C02 | C05 | C08 | H6 | 95.8° | 60.1° |
| C02 | C05 | C08 | H7 | 24.2° | 60.0° |
| F04 | C02 | C05 | H4 | 26.1° | 180.0° |
| F04 | C02 | C05 | H5 | 145.0° | 60.0° |
| F01 | C02 | C05 | H4 | 92.0° | 60.0° |
| F01 | C02 | C05 | H5 | 26.9° | 180.0° |
| H1 | C20 | C22 | H2 | 0.4° | 0.3° |
| H3 | C28 | C30 | H12 | 0.4° | 0.0° |
| H4 | C05 | C08 | H6 | 143.6° | 179.9° |
| H4 | C05 | C08 | H7 | 96.4° | 60.0° |
| H5 | C05 | C08 | H6 | 24.7° | 60.0° |
| H5 | C05 | C08 | H7 | 144.8° | 180.0° |
| H6 | C08 | C11 | H8 | 120.7° | 180.0° |
| H6 | C08 | C11 | H9 | 119.8° | 60.0° |
| H7 | C08 | C11 | H8 | 0.7° | 60.0° |
| H7 | C08 | C11 | H9 | 120.2° | 180.0° |
