OU7
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 | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.41Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.40Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
| C06 | C07 | doub | 1.36Å | 1.39Å | Aromatic |
| C05 | C10 | doub | 1.42Å | 1.41Å | Aromatic |
| C07 | C08 | sing | 1.40Å | 1.40Å | 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 | sing | 1.40Å | 1.40Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.40Å | Aromatic |
| C08 | C21 | sing | 1.48Å | 1.49Å | |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C26 | sing | 1.39Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| N28 | C27 | sing | 1.47Å | 1.47Å | |
| C23 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | C27 | sing | 1.51Å | 1.51Å | |
| C34 | N33 | sing | 1.32Å | 1.37Å | Aromatic |
| C34 | C35 | doub | 1.34Å | 1.39Å | Aromatic |
| C24 | O29 | sing | 1.36Å | 1.40Å | |
| N33 | C32 | doub | 1.29Å | 1.37Å | Aromatic |
| C35 | C30 | sing | 1.51Å | 1.51Å | |
| C35 | S31 | sing | 1.76Å | 1.73Å | Aromatic |
| O29 | C30 | sing | 1.43Å | 1.44Å | |
| C32 | S31 | sing | 1.71Å | 1.74Å | Aromatic |
| C06 | H1 | sing | 1.08Å | 1.08Å | |
| C07 | H2 | sing | 1.08Å | 1.08Å | |
| C09 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C23 | H7 | sing | 1.08Å | 1.08Å | |
| C03 | H8 | sing | 1.08Å | 1.08Å | |
| C22 | 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 | |
| C34 | 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 | 119.3° | 120.8° |
| C11 | C04 | C05 | 120.8° | 120.8° |
| C04 | C11 | H4 | 109.5° | 109.4° |
| C04 | C11 | H5 | 109.5° | 109.4° |
| C04 | C11 | H6 | 109.4° | 109.5° |
| C03 | C04 | C05 | 119.9° | 118.3° |
| C04 | C03 | C02 | 119.4° | 119.9° |
| C04 | C03 | H8 | 120.3° | 120.1° |
| C04 | C05 | C06 | 120.7° | 121.1° |
| C04 | C05 | C10 | 119.5° | 119.1° |
| C03 | C02 | N02 | 119.3° | 119.2° |
| C03 | C02 | N01 | 119.9° | 121.5° |
| C02 | C03 | H8 | 120.3° | 120.0° |
| C05 | C06 | C07 | 120.4° | 120.0° |
| C06 | C05 | C10 | 119.7° | 119.9° |
| C05 | C06 | H1 | 119.8° | 119.9° |
| C06 | C07 | C08 | 120.5° | 120.8° |
| C07 | C06 | H1 | 119.8° | 120.1° |
| C06 | C07 | H2 | 119.8° | 119.6° |
| C05 | C10 | N01 | 119.6° | 119.9° |
| C05 | C10 | C09 | 119.8° | 119.2° |
| C07 | C08 | C09 | 119.3° | 120.6° |
| C07 | C08 | C21 | 119.7° | 119.7° |
| C08 | C07 | H2 | 119.8° | 119.6° |
| N02 | C02 | N01 | 120.8° | 119.2° |
| C02 | N02 | H17 | 109.5° | 120.0° |
| C02 | N02 | H18 | 109.5° | 120.0° |
| C02 | N01 | C10 | 121.6° | 121.2° |
| N01 | C10 | C09 | 120.6° | 120.9° |
| C10 | C09 | C08 | 120.3° | 119.6° |
| C10 | C09 | H3 | 119.8° | 120.2° |
| C09 | C08 | C21 | 120.9° | 119.7° |
| C08 | C09 | H3 | 119.9° | 120.2° |
| C08 | C21 | C22 | 125.9° | 120.0° |
| C08 | C21 | C26 | 116.1° | 120.1° |
| C22 | C21 | C26 | 117.7° | 119.9° |
| C21 | C22 | C23 | 119.9° | 119.9° |
| C21 | C22 | H9 | 120.1° | 120.0° |
| C21 | C26 | C25 | 122.9° | 119.9° |
| C21 | C26 | H10 | 118.6° | 120.1° |
| C22 | C23 | C24 | 122.6° | 120.1° |
| C22 | C23 | H7 | 118.7° | 119.9° |
| C23 | C22 | H9 | 120.0° | 120.1° |
| C26 | C25 | C24 | 120.0° | 120.1° |
| C26 | C25 | C27 | 113.7° | 120.0° |
| C25 | C26 | H10 | 118.5° | 120.0° |
| N28 | C27 | C25 | 108.1° | 109.5° |
| N28 | C27 | H11 | 109.8° | 109.5° |
| N28 | C27 | H12 | 109.8° | 109.4° |
| C27 | N28 | H19 | 109.5° | 111.0° |
| C27 | N28 | H20 | 109.5° | 111.0° |
| C23 | C24 | C25 | 116.7° | 120.2° |
| C23 | C24 | O29 | 117.2° | 119.9° |
| C24 | C23 | H7 | 118.7° | 120.0° |
| C24 | C25 | C27 | 126.2° | 120.0° |
| C25 | C24 | O29 | 126.1° | 119.9° |
| C25 | C27 | H11 | 109.8° | 109.5° |
| C25 | C27 | H12 | 109.8° | 109.5° |
| N33 | C34 | C35 | 113.5° | 114.5° |
| C34 | N33 | C32 | 116.4° | 117.1° |
| N33 | C34 | H16 | 123.2° | 122.8° |
| C34 | C35 | C30 | 132.7° | 126.1° |
| C34 | C35 | S31 | 108.4° | 107.9° |
| C35 | C34 | H16 | 123.2° | 122.7° |
| C24 | O29 | C30 | 126.1° | 117.0° |
| N33 | C32 | S31 | 107.5° | 110.2° |
| N33 | C32 | H15 | 126.2° | 124.9° |
| C30 | C35 | S31 | 118.9° | 126.0° |
| C35 | C30 | O29 | 117.2° | 109.5° |
| C35 | C30 | H13 | 107.5° | 109.5° |
| C35 | C30 | H14 | 107.5° | 109.5° |
| C35 | S31 | C32 | 94.2° | 90.3° |
| O29 | C30 | H13 | 107.5° | 109.5° |
| O29 | C30 | H14 | 107.5° | 109.4° |
| S31 | C32 | H15 | 126.3° | 124.9° |
| H4 | C11 | H5 | 109.5° | 109.5° |
| H4 | C11 | H6 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H11 | C27 | H12 | 109.4° | 109.5° |
| H13 | C30 | H14 | 109.4° | 109.5° |
| H17 | N02 | H18 | 109.5° | 120.0° |
| H19 | N28 | H20 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C04 | C03 | C05 | 179.4° | 180.0° |
| C11 | C04 | C03 | C02 | 179.8° | 179.8° |
| C11 | C04 | C05 | C06 | 1.4° | 0.0° |
| C11 | C04 | C05 | C10 | 179.9° | 180.0° |
| C04 | C11 | H4 | H5 | 120.0° | 120.0° |
| C04 | C11 | H4 | H6 | 120.0° | 120.0° |
| C04 | C11 | H5 | H6 | 120.0° | 120.0° |
| C11 | C04 | C03 | H8 | 0.2° | 0.3° |
| C04 | C03 | C02 | H8 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 179.3° | 180.0° |
| C03 | C04 | C05 | C10 | 0.5° | 0.0° |
| C04 | C03 | C02 | N02 | 179.7° | 180.0° |
| C04 | C03 | C02 | N01 | 0.1° | 0.4° |
| C03 | C04 | C11 | H4 | 89.7° | 90.0° |
| C03 | C04 | C11 | H5 | 150.3° | 150.0° |
| C03 | C04 | C11 | H6 | 30.3° | 30.0° |
| C05 | C04 | C03 | C02 | 0.4° | 0.2° |
| C04 | C05 | C06 | C10 | 178.8° | 180.0° |
| C04 | C05 | C06 | C07 | 179.5° | 180.0° |
| C04 | C05 | C10 | N01 | 0.2° | 0.1° |
| C04 | C05 | C10 | C09 | 179.7° | 179.7° |
| C04 | C05 | C06 | H1 | 0.5° | 0.1° |
| C05 | C04 | C11 | H4 | 89.7° | 90.0° |
| C05 | C04 | C11 | H5 | 30.4° | 30.0° |
| C05 | C04 | C11 | H6 | 150.3° | 150.0° |
| C05 | C04 | C03 | H8 | 179.5° | 179.7° |
| C03 | C02 | N02 | N01 | 179.6° | 179.6° |
| C03 | C02 | N01 | C10 | 0.2° | 0.4° |
| C03 | C02 | N02 | H17 | 179.6° | 179.5° |
| C03 | C02 | N02 | H18 | 59.6° | 0.4° |
| C05 | C06 | C07 | H1 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 0.2° | 0.1° |
| C06 | C05 | C10 | N01 | 179.0° | 180.0° |
| C06 | C05 | C10 | C09 | 1.6° | 0.3° |
| C05 | C06 | C07 | H2 | 179.8° | 180.0° |
| C07 | C06 | C05 | C10 | 0.7° | 0.1° |
| C06 | C07 | C08 | H2 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 0.5° | 0.3° |
| C06 | C07 | C08 | C21 | 176.7° | 180.0° |
| C05 | C10 | N01 | C02 | 0.2° | 0.3° |
| C05 | C10 | N01 | C09 | 179.5° | 179.7° |
| C05 | C10 | C09 | C08 | 1.9° | 0.5° |
| C10 | C05 | C06 | H1 | 179.2° | 180.0° |
| C05 | C10 | C09 | H3 | 178.1° | 179.7° |
| C07 | C08 | C09 | C10 | 1.3° | 0.5° |
| C07 | C08 | C09 | C21 | 176.2° | 179.7° |
| C07 | C08 | C21 | C22 | 31.1° | 180.0° |
| C07 | C08 | C21 | C26 | 143.3° | 0.3° |
| C08 | C07 | C06 | H1 | 179.8° | 180.0° |
| C07 | C08 | C09 | H3 | 178.7° | 179.7° |
| N02 | C02 | N01 | C10 | 179.4° | 180.0° |
| N02 | C02 | C03 | H8 | 0.3° | 0.0° |
| C02 | N02 | H17 | H18 | 120.0° | 179.9° |
| C02 | N01 | C10 | C09 | 179.3° | 179.9° |
| N01 | C02 | C03 | H8 | 179.9° | 179.5° |
| N01 | C02 | N02 | H17 | 0.0° | 0.1° |
| N01 | C02 | N02 | H18 | 120.0° | 180.0° |
| N01 | C10 | C09 | C08 | 178.7° | 179.8° |
| N01 | C10 | C09 | H3 | 1.3° | 0.0° |
| C10 | C09 | C08 | H3 | 180.0° | 179.8° |
| C10 | C09 | C08 | C21 | 177.5° | 179.8° |
| C09 | C08 | C21 | C22 | 152.7° | 0.3° |
| C09 | C08 | C21 | C26 | 32.9° | 180.0° |
| C09 | C08 | C07 | H2 | 179.5° | 179.8° |
| C08 | C21 | C22 | C26 | 174.3° | 179.7° |
| C08 | C21 | C22 | C23 | 177.7° | 179.7° |
| C08 | C21 | C26 | C25 | 178.4° | 179.7° |
| C21 | C08 | C07 | H2 | 3.2° | 0.1° |
| C21 | C08 | C09 | H3 | 2.5° | 0.0° |
| C08 | C21 | C22 | H9 | 2.3° | 0.4° |
| C08 | C21 | C26 | H10 | 1.6° | 0.3° |
| C21 | C22 | C23 | H9 | 180.0° | 179.9° |
| C22 | C21 | C26 | C25 | 3.5° | 0.1° |
| C21 | C22 | C23 | C24 | 2.3° | 0.0° |
| C21 | C22 | C23 | H7 | 177.7° | 180.0° |
| C22 | C21 | C26 | H10 | 176.5° | 179.9° |
| C26 | C21 | C22 | C23 | 3.4° | 0.1° |
| C21 | C26 | C25 | H10 | 180.0° | 180.0° |
| C21 | C26 | C25 | C24 | 2.4° | 0.0° |
| C21 | C26 | C25 | C27 | 178.9° | 180.0° |
| C26 | C21 | C22 | H9 | 176.6° | 180.0° |
| C22 | C23 | C24 | H7 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 1.1° | 0.1° |
| C22 | C23 | C24 | O29 | 179.6° | 180.0° |
| C26 | C25 | C27 | N28 | 33.0° | 100.1° |
| C26 | C25 | C24 | C23 | 1.1° | 0.0° |
| C26 | C25 | C24 | C27 | 178.5° | 180.0° |
| C26 | C25 | C24 | O29 | 179.5° | 180.0° |
| C26 | C25 | C27 | H11 | 152.8° | 20.0° |
| C26 | C25 | C27 | H12 | 86.8° | 140.0° |
| N28 | C27 | C25 | C24 | 145.6° | 79.9° |
| N28 | C27 | C25 | H11 | 119.8° | 120.1° |
| N28 | C27 | C25 | H12 | 119.8° | 119.9° |
| N28 | C27 | H11 | H12 | 120.6° | 120.0° |
| C27 | N28 | H19 | H20 | 120.0° | 123.9° |
| C23 | C24 | C25 | O29 | 178.4° | 180.0° |
| C23 | C24 | C25 | C27 | 179.6° | 180.0° |
| C23 | C24 | O29 | C30 | 143.9° | 0.0° |
| C24 | C23 | C22 | H9 | 177.7° | 179.9° |
| C25 | C24 | O29 | C30 | 37.7° | 180.0° |
| C25 | C24 | C23 | H7 | 178.9° | 180.0° |
| C24 | C25 | C26 | H10 | 177.6° | 180.0° |
| C24 | C25 | C27 | H11 | 25.8° | 160.0° |
| C24 | C25 | C27 | H12 | 94.6° | 40.0° |
| C27 | C25 | C24 | O29 | 2.0° | 0.0° |
| C27 | C25 | C26 | H10 | 1.1° | 0.0° |
| C25 | C27 | H11 | H12 | 120.6° | 120.0° |
| C25 | C27 | N28 | H19 | 180.0° | 56.1° |
| C25 | C27 | N28 | H20 | 60.0° | 180.0° |
| N33 | C34 | C35 | H16 | 180.0° | 179.6° |
| N33 | C34 | C35 | C30 | 179.7° | 180.0° |
| N33 | C34 | C35 | S31 | 0.4° | 0.5° |
| C34 | N33 | C32 | S31 | 0.1° | 0.0° |
| C34 | N33 | C32 | H15 | 179.9° | 179.7° |
| C35 | C34 | N33 | C32 | 0.3° | 0.4° |
| C34 | C35 | C30 | S31 | 179.3° | 179.4° |
| C34 | C35 | C30 | O29 | 140.8° | 90.0° |
| C34 | C35 | S31 | C32 | 0.3° | 0.4° |
| C34 | C35 | C30 | H13 | 98.1° | 150.0° |
| C34 | C35 | C30 | H14 | 19.7° | 30.0° |
| C24 | O29 | C30 | C35 | 134.3° | 180.0° |
| O29 | C24 | C23 | H7 | 0.4° | 0.0° |
| C24 | O29 | C30 | H13 | 104.6° | 60.0° |
| C24 | O29 | C30 | H14 | 13.1° | 60.0° |
| N33 | C32 | S31 | C35 | 0.1° | 0.3° |
| N33 | C32 | S31 | H15 | 180.0° | 179.7° |
| C32 | N33 | C34 | H16 | 179.7° | 179.9° |
| C35 | C30 | O29 | H13 | 121.1° | 120.0° |
| C35 | C30 | O29 | H14 | 121.1° | 120.0° |
| C30 | C35 | S31 | C32 | 179.8° | 179.9° |
| C35 | C30 | H13 | H14 | 116.5° | 120.0° |
| C30 | C35 | C34 | H16 | 0.3° | 0.4° |
| S31 | C35 | C30 | O29 | 39.9° | 89.4° |
| S31 | C35 | C30 | H13 | 81.3° | 30.6° |
| S31 | C35 | C30 | H14 | 161.0° | 150.6° |
| C35 | S31 | C32 | H15 | 179.9° | 180.0° |
| S31 | C35 | C34 | H16 | 179.6° | 179.9° |
| O29 | C30 | H13 | H14 | 116.5° | 120.0° |
| H1 | C06 | C07 | H2 | 0.3° | 0.1° |
| H4 | C11 | H5 | H6 | 120.0° | 120.1° |
| H7 | C23 | C22 | H9 | 2.3° | 0.0° |
| H11 | C27 | N28 | H19 | 60.2° | 63.9° |
| H11 | C27 | N28 | H20 | 59.8° | 59.9° |
| H12 | C27 | N28 | H19 | 60.2° | 176.1° |
| H12 | C27 | N28 | H20 | 179.8° | 60.1° |
