8EV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | C03 | doub | 1.36Å | 1.40Å | 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 | 1.40Å | Aromatic |
| C05 | C10 | doub | 1.42Å | 1.40Å | Aromatic |
| C02 | N02 | sing | 1.39Å | 1.36Å | |
| C02 | N01 | doub | 1.32Å | 1.35Å | Aromatic |
| N28 | C27 | trip | 1.14Å | 1.16Å | |
| C07 | C08 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | N01 | sing | 1.34Å | 1.35Å | Aromatic |
| C10 | C09 | sing | 1.41Å | 1.39Å | Aromatic |
| C27 | C23 | sing | 1.43Å | 1.29Å | |
| C22 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C08 | C09 | doub | 1.36Å | 1.39Å | Aromatic |
| C08 | C11 | sing | 1.51Å | 1.52Å | |
| O12 | C21 | sing | 1.36Å | 1.37Å | |
| O12 | C11 | sing | 1.43Å | 1.42Å | |
| C23 | C24 | sing | 1.40Å | 1.38Å | Aromatic |
| C21 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C29 | sing | 1.51Å | 1.52Å | |
| C31 | N30 | sing | 1.47Å | 1.47Å | |
| C29 | N30 | sing | 1.47Å | 1.47Å | |
| C22 | H1 | sing | 1.08Å | 1.08Å | |
| C24 | H2 | sing | 1.08Å | 1.08Å | |
| C29 | H3 | sing | 1.09Å | 1.10Å | |
| C29 | H4 | sing | 1.09Å | 1.10Å | |
| N30 | H5 | sing | 1.01Å | 1.00Å | |
| C31 | H7 | sing | 1.09Å | 1.10Å | |
| C31 | H8 | sing | 1.09Å | 1.10Å | |
| C31 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.08Å | 1.08Å | |
| C07 | H14 | sing | 1.08Å | 1.08Å | |
| C06 | H15 | sing | 1.08Å | 1.08Å | |
| C04 | H16 | sing | 1.08Å | 1.08Å | |
| C03 | H17 | sing | 1.08Å | 1.08Å | |
| N02 | H18 | sing | 0.97Å | 1.00Å | |
| N02 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C04 | C05 | 119.2° | 118.3° |
| C04 | C03 | C02 | 120.0° | 119.9° |
| C03 | C04 | H16 | 120.4° | 120.9° |
| C04 | C03 | H17 | 120.0° | 120.0° |
| C04 | C05 | C06 | 121.0° | 121.2° |
| C04 | C05 | C10 | 119.2° | 119.1° |
| C05 | C04 | H16 | 120.4° | 120.8° |
| C03 | C02 | N02 | 121.4° | 119.2° |
| C03 | C02 | N01 | 119.3° | 121.6° |
| C02 | C03 | H17 | 120.0° | 120.1° |
| C05 | C06 | C07 | 119.5° | 119.6° |
| C06 | C05 | C10 | 119.8° | 119.6° |
| C05 | C06 | H15 | 120.3° | 120.2° |
| C06 | C07 | C08 | 120.6° | 120.9° |
| C06 | C07 | H14 | 119.7° | 119.6° |
| C07 | C06 | H15 | 120.3° | 120.2° |
| C05 | C10 | N01 | 120.4° | 120.0° |
| C05 | C10 | C09 | 120.5° | 119.1° |
| N02 | C02 | N01 | 119.3° | 119.2° |
| C02 | N02 | H18 | 109.5° | 120.0° |
| C02 | N02 | H19 | 109.5° | 120.0° |
| C02 | N01 | C10 | 121.9° | 121.2° |
| N28 | C27 | C23 | 174.1° | 180.0° |
| C07 | C08 | C09 | 119.4° | 121.0° |
| C07 | C08 | C11 | 121.3° | 119.5° |
| C08 | C07 | H14 | 119.7° | 119.5° |
| N01 | C10 | C09 | 119.1° | 121.0° |
| C10 | C09 | C08 | 120.2° | 119.8° |
| C10 | C09 | H13 | 119.9° | 120.1° |
| C27 | C23 | C22 | 119.2° | 120.2° |
| C27 | C23 | C24 | 120.7° | 120.1° |
| C23 | C22 | C21 | 119.7° | 119.8° |
| C22 | C23 | C24 | 120.1° | 119.7° |
| C23 | C22 | H1 | 120.2° | 120.1° |
| C22 | C21 | O12 | 118.9° | 120.0° |
| C22 | C21 | C26 | 119.7° | 120.0° |
| C21 | C22 | H1 | 120.2° | 120.1° |
| C09 | C08 | C11 | 119.3° | 119.5° |
| C08 | C09 | H13 | 119.9° | 120.1° |
| C08 | C11 | O12 | 108.7° | 109.5° |
| C08 | C11 | H11 | 109.6° | 109.4° |
| C08 | C11 | H12 | 109.6° | 109.5° |
| C21 | O12 | C11 | 123.3° | 117.0° |
| O12 | C21 | C26 | 121.4° | 120.0° |
| O12 | C11 | H11 | 109.7° | 109.5° |
| O12 | C11 | H12 | 109.6° | 109.5° |
| C23 | C24 | C25 | 120.6° | 120.0° |
| C23 | C24 | H2 | 119.7° | 120.0° |
| C21 | C26 | C25 | 120.2° | 120.2° |
| C21 | C26 | H10 | 119.9° | 119.9° |
| C24 | C25 | C26 | 119.8° | 120.2° |
| C24 | C25 | C29 | 119.6° | 119.9° |
| C25 | C24 | H2 | 119.8° | 120.0° |
| C26 | C25 | C29 | 120.7° | 119.9° |
| C25 | C26 | H10 | 119.9° | 119.9° |
| C25 | C29 | N30 | 110.7° | 109.4° |
| C25 | C29 | H3 | 109.2° | 109.5° |
| C25 | C29 | H4 | 109.2° | 109.5° |
| C31 | N30 | C29 | 109.3° | 111.0° |
| C31 | N30 | H5 | 109.5° | 111.0° |
| N30 | C31 | H7 | 109.5° | 109.5° |
| N30 | C31 | H8 | 109.5° | 109.5° |
| N30 | C31 | H9 | 109.5° | 109.5° |
| N30 | C29 | H3 | 109.2° | 109.5° |
| N30 | C29 | H4 | 109.1° | 109.5° |
| C29 | N30 | H5 | 109.5° | 111.0° |
| H3 | C29 | H4 | 109.5° | 109.5° |
| H7 | C31 | H8 | 109.5° | 109.4° |
| H7 | C31 | H9 | 109.5° | 109.4° |
| H8 | C31 | H9 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.5° | 109.5° |
| H18 | N02 | H19 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C04 | C05 | H16 | 180.0° | 180.0° |
| C04 | C03 | C02 | H17 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 179.6° | 180.0° |
| C03 | C04 | C05 | C10 | 1.8° | 0.0° |
| C04 | C03 | C02 | N02 | 179.4° | 179.9° |
| C04 | C03 | C02 | N01 | 1.0° | 0.0° |
| C05 | C04 | C03 | C02 | 1.7° | 0.0° |
| C04 | C05 | C06 | C10 | 178.6° | 179.9° |
| C04 | C05 | C06 | C07 | 179.2° | 180.0° |
| C04 | C05 | C10 | N01 | 1.1° | 0.0° |
| C04 | C05 | C10 | C09 | 179.9° | 179.7° |
| C04 | C05 | C06 | H15 | 0.8° | 0.0° |
| C05 | C04 | C03 | H17 | 178.2° | 179.9° |
| C03 | C02 | N02 | N01 | 179.6° | 180.0° |
| C03 | C02 | N01 | C10 | 0.3° | 0.0° |
| C02 | C03 | C04 | H16 | 178.3° | 180.0° |
| C03 | C02 | N02 | H18 | 179.6° | 0.0° |
| C03 | C02 | N02 | H19 | 59.6° | 180.0° |
| C05 | C06 | C07 | H15 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 0.2° | 0.3° |
| C06 | C05 | C10 | N01 | 179.7° | 180.0° |
| C06 | C05 | C10 | C09 | 1.5° | 0.2° |
| C05 | C06 | C07 | H14 | 179.8° | 179.9° |
| C06 | C05 | C04 | H16 | 0.4° | 0.0° |
| C07 | C06 | C05 | C10 | 0.6° | 0.1° |
| C06 | C07 | C08 | H14 | 180.0° | 179.8° |
| C06 | C07 | C08 | C09 | 0.2° | 0.2° |
| C06 | C07 | C08 | C11 | 179.7° | 179.7° |
| C05 | C10 | N01 | C02 | 0.3° | 0.0° |
| C05 | C10 | N01 | C09 | 178.9° | 179.8° |
| C05 | C10 | C09 | C08 | 1.5° | 0.2° |
| C05 | C10 | C09 | H13 | 178.5° | 179.8° |
| C10 | C05 | C06 | H15 | 179.4° | 179.9° |
| C10 | C05 | C04 | H16 | 178.2° | 179.9° |
| N02 | C02 | N01 | C10 | 179.9° | 179.9° |
| N02 | C02 | C03 | H17 | 0.6° | 0.1° |
| C02 | N02 | H18 | H19 | 120.0° | 180.0° |
| C02 | N01 | C10 | C09 | 179.2° | 179.8° |
| N01 | C02 | C03 | H17 | 179.0° | 179.9° |
| N01 | C02 | N02 | H18 | 0.0° | 180.0° |
| N01 | C02 | N02 | H19 | 120.0° | 0.0° |
| N28 | C27 | C23 | C22 | 172.4° | 47.3° |
| N28 | C27 | C23 | C24 | 9.2° | 132.7° |
| C07 | C08 | C09 | C10 | 0.7° | 0.0° |
| C07 | C08 | C09 | C11 | 179.8° | 179.9° |
| C07 | C08 | C11 | O12 | 27.3° | 90.1° |
| C07 | C08 | C11 | H11 | 147.2° | 150.0° |
| C07 | C08 | C11 | H12 | 92.6° | 30.0° |
| C07 | C08 | C09 | H13 | 179.3° | 180.0° |
| C08 | C07 | C06 | H15 | 179.8° | 179.7° |
| N01 | C10 | C09 | C08 | 179.7° | 180.0° |
| N01 | C10 | C09 | H13 | 0.3° | 0.0° |
| C10 | C09 | C08 | H13 | 180.0° | 180.0° |
| C10 | C09 | C08 | C11 | 179.5° | 180.0° |
| C27 | C23 | C22 | C24 | 178.3° | 180.0° |
| C27 | C23 | C22 | C21 | 179.0° | 180.0° |
| C27 | C23 | C24 | C25 | 178.7° | 179.9° |
| C27 | C23 | C22 | H1 | 1.0° | 0.3° |
| C27 | C23 | C24 | H2 | 1.3° | 0.0° |
| C23 | C22 | C21 | H1 | 180.0° | 179.7° |
| C23 | C22 | C21 | O12 | 179.3° | 180.0° |
| C23 | C22 | C21 | C26 | 0.4° | 0.0° |
| C22 | C23 | C24 | C25 | 0.4° | 0.0° |
| C22 | C23 | C24 | H2 | 179.6° | 180.0° |
| C22 | C21 | O12 | C26 | 179.7° | 180.0° |
| C22 | C21 | O12 | C11 | 173.6° | 0.0° |
| C21 | C22 | C23 | C24 | 0.7° | 0.0° |
| C22 | C21 | C26 | C25 | 0.1° | 0.0° |
| C22 | C21 | C26 | H10 | 179.8° | 180.0° |
| C09 | C08 | C11 | O12 | 152.5° | 90.0° |
| C09 | C08 | C11 | H11 | 32.7° | 30.0° |
| C09 | C08 | C11 | H12 | 87.6° | 150.0° |
| C09 | C08 | C07 | H14 | 179.8° | 180.0° |
| C08 | C11 | O12 | C21 | 177.2° | 180.0° |
| C08 | C11 | O12 | H11 | 119.9° | 120.0° |
| C08 | C11 | O12 | H12 | 119.9° | 120.0° |
| C08 | C11 | H11 | H12 | 120.3° | 120.0° |
| C11 | C08 | C09 | H13 | 0.5° | 0.0° |
| C11 | C08 | C07 | H14 | 0.4° | 0.1° |
| O12 | C21 | C26 | C25 | 179.8° | 180.0° |
| O12 | C21 | C22 | H1 | 0.7° | 0.3° |
| O12 | C21 | C26 | H10 | 0.2° | 0.0° |
| C21 | O12 | C11 | H11 | 57.3° | 60.0° |
| C21 | O12 | C11 | H12 | 63.0° | 60.0° |
| C11 | O12 | C21 | C26 | 6.0° | 180.0° |
| O12 | C11 | H11 | H12 | 120.4° | 120.0° |
| C23 | C24 | C25 | H2 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.1° | 0.0° |
| C23 | C24 | C25 | C29 | 179.4° | 180.0° |
| C24 | C23 | C22 | H1 | 179.3° | 179.7° |
| C21 | C26 | C25 | C24 | 0.4° | 0.0° |
| C21 | C26 | C25 | H10 | 180.0° | 180.0° |
| C21 | C26 | C25 | C29 | 179.6° | 180.0° |
| C26 | C21 | C22 | H1 | 179.6° | 179.7° |
| C24 | C25 | C26 | C29 | 179.2° | 179.9° |
| C24 | C25 | C29 | N30 | 138.0° | 90.0° |
| C24 | C25 | C29 | H3 | 101.8° | 150.0° |
| C24 | C25 | C29 | H4 | 17.9° | 29.9° |
| C24 | C25 | C26 | H10 | 179.6° | 179.9° |
| C26 | C25 | C29 | N30 | 42.7° | 90.0° |
| C26 | C25 | C24 | H2 | 179.9° | 180.0° |
| C26 | C25 | C29 | H3 | 77.4° | 29.9° |
| C26 | C25 | C29 | H4 | 162.9° | 150.0° |
| C25 | C29 | N30 | C31 | 104.3° | 180.0° |
| C25 | C29 | N30 | H3 | 120.2° | 120.0° |
| C25 | C29 | N30 | H4 | 120.2° | 120.0° |
| C29 | C25 | C24 | H2 | 0.6° | 0.0° |
| C25 | C29 | H3 | H4 | 119.5° | 120.1° |
| C25 | C29 | N30 | H5 | 135.7° | 56.1° |
| C29 | C25 | C26 | H10 | 0.4° | 0.0° |
| C31 | N30 | C29 | H5 | 120.0° | 123.9° |
| C31 | N30 | C29 | H3 | 135.5° | 60.0° |
| C31 | N30 | C29 | H4 | 15.8° | 60.0° |
| N30 | C31 | H7 | H8 | 120.0° | 120.0° |
| N30 | C31 | H7 | H9 | 120.0° | 120.0° |
| N30 | C31 | H8 | H9 | 120.0° | 120.0° |
| N30 | C29 | H3 | H4 | 119.4° | 120.0° |
| C29 | N30 | C31 | H7 | 180.0° | 60.0° |
| C29 | N30 | C31 | H8 | 60.0° | 60.0° |
| C29 | N30 | C31 | H9 | 60.0° | 180.0° |
| H3 | C29 | N30 | H5 | 15.5° | 63.9° |
| H4 | C29 | N30 | H5 | 104.1° | 176.0° |
| H5 | N30 | C31 | H7 | 60.0° | 63.9° |
| H5 | N30 | C31 | H8 | 60.0° | 176.1° |
| H5 | N30 | C31 | H9 | 180.0° | 56.1° |
| H7 | C31 | H8 | H9 | 120.0° | 120.0° |
| H14 | C07 | C06 | H15 | 0.2° | 0.1° |
| H16 | C04 | C03 | H17 | 1.8° | 0.0° |
