OU4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C04 | sing | 1.51Å | 1.51Å | |
| C04 | C03 | doub | 1.36Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.41Å | 1.38Å | Aromatic |
| C03 | C02 | sing | 1.40Å | 1.40Å | Aromatic |
| C06 | C05 | doub | 1.41Å | 1.38Å | Aromatic |
| C06 | C07 | sing | 1.36Å | 1.39Å | Aromatic |
| C05 | C10 | sing | 1.42Å | 1.41Å | Aromatic |
| C07 | C08 | doub | 1.40Å | 1.39Å | Aromatic |
| C02 | N02 | sing | 1.39Å | 1.36Å | |
| C02 | N01 | doub | 1.32Å | 1.36Å | Aromatic |
| C10 | N01 | sing | 1.34Å | 1.36Å | Aromatic |
| C10 | C09 | doub | 1.40Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.40Å | Aromatic |
| C08 | C21 | sing | 1.48Å | 1.49Å | |
| C21 | C22 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| N28 | C27 | sing | 1.47Å | 1.48Å | |
| C23 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.38Å | Aromatic |
| C25 | C27 | sing | 1.51Å | 1.51Å | |
| C35 | C34 | doub | 1.34Å | 1.39Å | Aromatic |
| C35 | O31 | sing | 1.35Å | 1.38Å | Aromatic |
| C24 | O29 | sing | 1.36Å | 1.37Å | |
| C30 | C34 | sing | 1.51Å | 1.51Å | |
| C30 | O29 | sing | 1.43Å | 1.42Å | |
| C34 | N33 | sing | 1.34Å | 1.35Å | Aromatic |
| O31 | C32 | sing | 1.34Å | 1.38Å | Aromatic |
| N33 | C32 | doub | 1.30Å | 1.35Å | Aromatic |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C06 | H2 | sing | 1.08Å | 1.08Å | |
| C07 | H3 | sing | 1.08Å | 1.08Å | |
| C09 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.08Å | 1.08Å | |
| C23 | H9 | sing | 1.08Å | 1.08Å | |
| C26 | H10 | sing | 1.08Å | 1.08Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C30 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C32 | H15 | sing | 1.08Å | 1.08Å | |
| C35 | H16 | sing | 1.08Å | 1.08Å | |
| N02 | H17 | sing | 0.97Å | 1.00Å | |
| N02 | H18 | sing | 0.97Å | 1.00Å | |
| N28 | H19 | sing | 1.01Å | 1.00Å | |
| N28 | H20 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C04 | C03 | 119.7° | 120.9° |
| C11 | C04 | C05 | 120.9° | 120.8° |
| C04 | C11 | H5 | 109.5° | 109.5° |
| C04 | C11 | H6 | 109.4° | 109.5° |
| C04 | C11 | H7 | 109.4° | 109.5° |
| C03 | C04 | C05 | 119.3° | 118.3° |
| C04 | C03 | C02 | 119.9° | 120.0° |
| C04 | C03 | H1 | 120.1° | 120.0° |
| C04 | C05 | C06 | 119.7° | 121.0° |
| C04 | C05 | C10 | 119.9° | 119.1° |
| C03 | C02 | N02 | 118.3° | 119.3° |
| C03 | C02 | N01 | 120.4° | 121.5° |
| C02 | C03 | H1 | 120.1° | 120.0° |
| C05 | C06 | C07 | 120.0° | 120.0° |
| C06 | C05 | C10 | 120.4° | 119.8° |
| C05 | C06 | H2 | 120.0° | 120.0° |
| C06 | C07 | C08 | 120.3° | 120.7° |
| C07 | C06 | H2 | 120.0° | 120.0° |
| C06 | C07 | H3 | 119.9° | 119.6° |
| C05 | C10 | N01 | 119.8° | 119.9° |
| C05 | C10 | C09 | 119.3° | 119.3° |
| C07 | C08 | C09 | 120.0° | 120.6° |
| C07 | C08 | C21 | 118.7° | 119.7° |
| C08 | C07 | H3 | 119.9° | 119.6° |
| N02 | C02 | N01 | 121.3° | 119.2° |
| C02 | N02 | H17 | 109.5° | 120.0° |
| C02 | N02 | H18 | 109.5° | 120.0° |
| C02 | N01 | C10 | 120.6° | 121.2° |
| N01 | C10 | C09 | 120.8° | 120.8° |
| C10 | C09 | C08 | 120.0° | 119.5° |
| C10 | C09 | H4 | 120.0° | 120.2° |
| C09 | C08 | C21 | 121.2° | 119.7° |
| C08 | C09 | H4 | 120.0° | 120.2° |
| C08 | C21 | C22 | 122.7° | 120.1° |
| C08 | C21 | C26 | 118.2° | 120.1° |
| C22 | C21 | C26 | 118.9° | 119.8° |
| C21 | C22 | C23 | 120.5° | 120.0° |
| C21 | C22 | H8 | 119.7° | 120.0° |
| C21 | C26 | C25 | 120.6° | 120.0° |
| C21 | C26 | H10 | 119.7° | 120.0° |
| C22 | C23 | C24 | 120.0° | 120.0° |
| C23 | C22 | H8 | 119.7° | 120.0° |
| C22 | C23 | H9 | 120.0° | 120.0° |
| C26 | C25 | C24 | 120.2° | 120.1° |
| C26 | C25 | C27 | 120.1° | 120.0° |
| C25 | C26 | H10 | 119.7° | 120.0° |
| N28 | C27 | C25 | 108.0° | 109.5° |
| N28 | C27 | H11 | 109.8° | 109.5° |
| N28 | C27 | H12 | 109.8° | 109.5° |
| C27 | N28 | H19 | 109.5° | 111.0° |
| C27 | N28 | H20 | 109.5° | 111.0° |
| C23 | C24 | C25 | 119.6° | 120.1° |
| C23 | C24 | O29 | 120.4° | 120.0° |
| C24 | C23 | H9 | 120.0° | 119.9° |
| C24 | C25 | C27 | 119.7° | 119.9° |
| C25 | C24 | O29 | 119.9° | 119.9° |
| C25 | C27 | H11 | 109.8° | 109.4° |
| C25 | C27 | H12 | 109.8° | 109.4° |
| C34 | C35 | O31 | 107.3° | 107.1° |
| C35 | C34 | C30 | 125.1° | 126.2° |
| C35 | C34 | N33 | 108.2° | 107.7° |
| C34 | C35 | H16 | 126.3° | 126.4° |
| C35 | O31 | C32 | 107.2° | 107.8° |
| O31 | C35 | H16 | 126.3° | 126.4° |
| C24 | O29 | C30 | 118.0° | 117.0° |
| C34 | C30 | O29 | 112.2° | 109.5° |
| C30 | C34 | N33 | 126.7° | 126.2° |
| C34 | C30 | H13 | 108.8° | 109.4° |
| C34 | C30 | H14 | 108.8° | 109.5° |
| O29 | C30 | H13 | 108.8° | 109.5° |
| O29 | C30 | H14 | 108.8° | 109.5° |
| C34 | N33 | C32 | 108.7° | 108.7° |
| O31 | C32 | N33 | 108.6° | 108.7° |
| O31 | C32 | H15 | 125.7° | 125.7° |
| N33 | C32 | H15 | 125.7° | 125.6° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H5 | C11 | H7 | 109.5° | 109.4° |
| H6 | C11 | H7 | 109.5° | 109.4° |
| H11 | C27 | H12 | 109.5° | 109.5° |
| H13 | C30 | H14 | 109.5° | 109.4° |
| H17 | N02 | H18 | 109.5° | 120.0° |
| H19 | N28 | H20 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C04 | C03 | C05 | 178.3° | 179.9° |
| C11 | C04 | C03 | C02 | 179.0° | 180.0° |
| C11 | C04 | C05 | C06 | 2.1° | 0.0° |
| C11 | C04 | C05 | C10 | 179.0° | 180.0° |
| C11 | C04 | C03 | H1 | 1.0° | 0.1° |
| C04 | C11 | H5 | H6 | 120.0° | 120.1° |
| C04 | C11 | H5 | H7 | 120.0° | 120.0° |
| C04 | C11 | H6 | H7 | 120.0° | 120.0° |
| C04 | C03 | C02 | H1 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 179.7° | 180.0° |
| C03 | C04 | C05 | C10 | 0.7° | 0.0° |
| C04 | C03 | C02 | N02 | 179.5° | 179.9° |
| C04 | C03 | C02 | N01 | 0.6° | 0.2° |
| C03 | C04 | C11 | H5 | 89.1° | 90.0° |
| C03 | C04 | C11 | H6 | 150.9° | 149.9° |
| C03 | C04 | C11 | H7 | 30.9° | 30.0° |
| C05 | C04 | C03 | C02 | 0.7° | 0.0° |
| C04 | C05 | C06 | C10 | 179.0° | 180.0° |
| C04 | C05 | C06 | C07 | 179.3° | 179.9° |
| C04 | C05 | C10 | N01 | 0.6° | 0.2° |
| C04 | C05 | C10 | C09 | 179.7° | 180.0° |
| C05 | C04 | C03 | H1 | 179.3° | 180.0° |
| C04 | C05 | C06 | H2 | 0.6° | 0.0° |
| C05 | C04 | C11 | H5 | 89.1° | 90.1° |
| C05 | C04 | C11 | H6 | 30.9° | 30.0° |
| C05 | C04 | C11 | H7 | 150.9° | 150.0° |
| C03 | C02 | N02 | N01 | 179.8° | 179.7° |
| C03 | C02 | N01 | C10 | 0.5° | 0.5° |
| C03 | C02 | N02 | H17 | 179.9° | 179.7° |
| C03 | C02 | N02 | H18 | 59.8° | 0.3° |
| C05 | C06 | C07 | H2 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 0.5° | 0.1° |
| C06 | C05 | C10 | N01 | 179.6° | 179.8° |
| C06 | C05 | C10 | C09 | 1.4° | 0.0° |
| C05 | C06 | C07 | H3 | 179.5° | 180.0° |
| C07 | C06 | C05 | C10 | 0.4° | 0.1° |
| C06 | C07 | C08 | H3 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 0.3° | 0.1° |
| C06 | C07 | C08 | C21 | 177.2° | 179.9° |
| C05 | C10 | N01 | C02 | 0.5° | 0.5° |
| C05 | C10 | N01 | C09 | 179.0° | 179.7° |
| C05 | C10 | C09 | C08 | 1.5° | 0.0° |
| C10 | C05 | C06 | H2 | 179.6° | 180.0° |
| C05 | C10 | C09 | H4 | 178.5° | 180.0° |
| C07 | C08 | C09 | C10 | 0.7° | 0.0° |
| C07 | C08 | C09 | C21 | 177.5° | 180.0° |
| C07 | C08 | C21 | C22 | 32.3° | 180.0° |
| C07 | C08 | C21 | C26 | 143.0° | 0.3° |
| C08 | C07 | C06 | H2 | 179.5° | 180.0° |
| C07 | C08 | C09 | H4 | 179.4° | 180.0° |
| N02 | C02 | N01 | C10 | 179.6° | 179.8° |
| N02 | C02 | C03 | H1 | 0.5° | 0.0° |
| C02 | N02 | H17 | H18 | 120.0° | 180.0° |
| C02 | N01 | C10 | C09 | 179.6° | 179.8° |
| N01 | C02 | C03 | H1 | 179.4° | 179.7° |
| N01 | C02 | N02 | H17 | 0.0° | 0.0° |
| N01 | C02 | N02 | H18 | 120.0° | 180.0° |
| N01 | C10 | C09 | C08 | 179.5° | 179.8° |
| N01 | C10 | C09 | H4 | 0.5° | 0.3° |
| C10 | C09 | C08 | H4 | 180.0° | 180.0° |
| C10 | C09 | C08 | C21 | 178.2° | 180.0° |
| C09 | C08 | C21 | C22 | 150.1° | 0.0° |
| C09 | C08 | C21 | C26 | 34.5° | 179.7° |
| C09 | C08 | C07 | H3 | 179.7° | 180.0° |
| C08 | C21 | C22 | C26 | 175.3° | 179.7° |
| C08 | C21 | C22 | C23 | 178.8° | 180.0° |
| C08 | C21 | C26 | C25 | 178.8° | 179.7° |
| C21 | C08 | C07 | H3 | 2.8° | 0.0° |
| C21 | C08 | C09 | H4 | 1.8° | 0.0° |
| C08 | C21 | C22 | H8 | 1.2° | 0.0° |
| C08 | C21 | C26 | H10 | 1.2° | 0.0° |
| C21 | C22 | C23 | H8 | 180.0° | 180.0° |
| C22 | C21 | C26 | C25 | 3.3° | 0.6° |
| C21 | C22 | C23 | C24 | 2.1° | 0.1° |
| C21 | C22 | C23 | H9 | 177.9° | 179.9° |
| C22 | C21 | C26 | H10 | 176.7° | 179.7° |
| C26 | C21 | C22 | C23 | 3.5° | 0.3° |
| C21 | C26 | C25 | H10 | 180.0° | 179.7° |
| C21 | C26 | C25 | C24 | 1.6° | 0.6° |
| C21 | C26 | C25 | C27 | 179.2° | 179.7° |
| C26 | C21 | C22 | H8 | 176.5° | 179.7° |
| C22 | C23 | C24 | H9 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.4° | 0.1° |
| C22 | C23 | C24 | O29 | 179.3° | 179.9° |
| C26 | C25 | C27 | N28 | 78.5° | 99.7° |
| C26 | C25 | C24 | C23 | 0.1° | 0.3° |
| C26 | C25 | C24 | C27 | 179.2° | 179.7° |
| C26 | C25 | C24 | O29 | 179.5° | 179.7° |
| C26 | C25 | C27 | H11 | 161.8° | 20.3° |
| C26 | C25 | C27 | H12 | 41.3° | 140.3° |
| N28 | C27 | C25 | C24 | 100.7° | 80.0° |
| N28 | C27 | C25 | H11 | 119.8° | 120.0° |
| N28 | C27 | C25 | H12 | 119.8° | 120.0° |
| N28 | C27 | H11 | H12 | 120.7° | 120.1° |
| C27 | N28 | H19 | H20 | 120.0° | 123.9° |
| C23 | C24 | C25 | O29 | 179.6° | 180.0° |
| C23 | C24 | C25 | C27 | 179.3° | 180.0° |
| C23 | C24 | O29 | C30 | 50.7° | 0.1° |
| C24 | C23 | C22 | H8 | 177.9° | 179.9° |
| C25 | C24 | O29 | C30 | 128.9° | 179.9° |
| C25 | C24 | C23 | H9 | 179.6° | 179.9° |
| C24 | C25 | C26 | H10 | 178.4° | 179.7° |
| C24 | C25 | C27 | H11 | 19.0° | 160.0° |
| C24 | C25 | C27 | H12 | 139.5° | 40.0° |
| C27 | C25 | C24 | O29 | 0.3° | 0.0° |
| C27 | C25 | C26 | H10 | 0.8° | 0.0° |
| C25 | C27 | H11 | H12 | 120.7° | 119.9° |
| C25 | C27 | N28 | H19 | 180.0° | 180.0° |
| C25 | C27 | N28 | H20 | 60.0° | 56.1° |
| C34 | C35 | O31 | H16 | 180.0° | 180.0° |
| C35 | C34 | C30 | N33 | 179.1° | 179.7° |
| C35 | C34 | C30 | O29 | 101.1° | 0.3° |
| C34 | C35 | O31 | C32 | 0.3° | 0.1° |
| C35 | C34 | N33 | C32 | 0.4° | 0.2° |
| C35 | C34 | C30 | H13 | 19.3° | 120.3° |
| C35 | C34 | C30 | H14 | 138.5° | 119.7° |
| O31 | C35 | C34 | C30 | 179.8° | 179.8° |
| O31 | C35 | C34 | N33 | 0.5° | 0.0° |
| C35 | O31 | C32 | N33 | 0.1° | 0.2° |
| C35 | O31 | C32 | H15 | 179.9° | 180.0° |
| C24 | O29 | C30 | C34 | 149.8° | 180.0° |
| O29 | C24 | C23 | H9 | 0.8° | 0.1° |
| C24 | O29 | C30 | H13 | 29.4° | 60.0° |
| C24 | O29 | C30 | H14 | 89.8° | 59.9° |
| C34 | C30 | O29 | H13 | 120.4° | 119.9° |
| C34 | C30 | O29 | H14 | 120.4° | 120.1° |
| C30 | C34 | N33 | C32 | 179.7° | 179.9° |
| C34 | C30 | H13 | H14 | 118.8° | 120.0° |
| C30 | C34 | C35 | H16 | 0.2° | 0.2° |
| O29 | C30 | C34 | N33 | 79.7° | 180.0° |
| O29 | C30 | H13 | H14 | 118.8° | 120.0° |
| C34 | N33 | C32 | O31 | 0.2° | 0.3° |
| N33 | C34 | C30 | H13 | 159.9° | 60.0° |
| N33 | C34 | C30 | H14 | 40.7° | 59.9° |
| C34 | N33 | C32 | H15 | 179.8° | 180.0° |
| N33 | C34 | C35 | H16 | 179.5° | 179.9° |
| O31 | C32 | N33 | H15 | 180.0° | 179.8° |
| C32 | O31 | C35 | H16 | 179.6° | 179.9° |
| H2 | C06 | C07 | H3 | 0.5° | 0.0° |
| H5 | C11 | H6 | H7 | 120.0° | 120.0° |
| H8 | C22 | C23 | H9 | 2.1° | 0.1° |
| H11 | C27 | N28 | H19 | 60.2° | 60.1° |
| H11 | C27 | N28 | H20 | 59.8° | 176.0° |
| H12 | C27 | N28 | H19 | 60.2° | 60.0° |
| H12 | C27 | N28 | H20 | 179.8° | 63.9° |
