E0P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O05 | C04 | doub | 1.22Å | 1.22Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | O03 | sing | 1.45Å | 1.43Å | |
| N24 | C23 | sing | 1.38Å | 1.35Å | |
| C04 | O03 | sing | 1.35Å | 1.37Å | |
| C04 | C06 | sing | 1.47Å | 1.51Å | |
| C23 | C06 | doub | 1.41Å | 1.43Å | Aromatic |
| C23 | N22 | sing | 1.32Å | 1.41Å | Aromatic |
| C06 | C07 | sing | 1.40Å | 1.39Å | Aromatic |
| N22 | C21 | doub | 1.33Å | 1.37Å | Aromatic |
| C07 | C08 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C08 | sing | 1.41Å | 1.41Å | Aromatic |
| C21 | O20 | sing | 1.35Å | 1.40Å | |
| C08 | C09 | sing | 1.48Å | 1.50Å | |
| O20 | C19 | sing | 1.35Å | 1.39Å | |
| C09 | O10 | doub | 1.22Å | 1.20Å | |
| C09 | C11 | sing | 1.48Å | 1.51Å | |
| C19 | C11 | doub | 1.40Å | 1.41Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.42Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.55Å | |
| C14 | C16 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| N24 | H17 | sing | 0.97Å | 1.00Å | |
| N24 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O05 | C04 | O03 | 118.1° | 120.0° |
| O05 | C04 | C06 | 120.1° | 120.0° |
| C01 | C02 | O03 | 112.7° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| C01 | C02 | H4 | 108.6° | 109.5° |
| C01 | C02 | H5 | 108.7° | 109.4° |
| C02 | O03 | C04 | 119.7° | 117.0° |
| O03 | C02 | H4 | 108.7° | 109.5° |
| O03 | C02 | H5 | 108.7° | 109.5° |
| N24 | C23 | C06 | 119.9° | 119.4° |
| N24 | C23 | N22 | 118.9° | 119.3° |
| C23 | N24 | H17 | 109.5° | 120.0° |
| C23 | N24 | H18 | 109.5° | 120.0° |
| O03 | C04 | C06 | 121.8° | 120.0° |
| C04 | C06 | C23 | 121.4° | 120.6° |
| C04 | C06 | C07 | 123.2° | 120.6° |
| C06 | C23 | N22 | 121.2° | 121.3° |
| C23 | C06 | C07 | 115.5° | 118.7° |
| C23 | N22 | C21 | 119.9° | 122.0° |
| C06 | C07 | C08 | 124.9° | 118.0° |
| C06 | C07 | H6 | 117.6° | 121.0° |
| N22 | C21 | C08 | 121.4° | 119.7° |
| N22 | C21 | O20 | 116.6° | 119.6° |
| C07 | C08 | C21 | 117.1° | 120.3° |
| C07 | C08 | C09 | 127.3° | 121.1° |
| C08 | C07 | H6 | 117.6° | 121.0° |
| C08 | C21 | O20 | 122.0° | 120.8° |
| C21 | C08 | C09 | 115.6° | 118.6° |
| C21 | O20 | C19 | 122.5° | 122.2° |
| C08 | C09 | O10 | 117.7° | 122.1° |
| C08 | C09 | C11 | 121.5° | 115.8° |
| O20 | C19 | C11 | 122.3° | 121.2° |
| O20 | C19 | C18 | 121.9° | 120.0° |
| O10 | C09 | C11 | 120.8° | 122.1° |
| C09 | C11 | C19 | 115.3° | 118.4° |
| C09 | C11 | C12 | 124.5° | 121.1° |
| C11 | C19 | C18 | 115.7° | 118.8° |
| C19 | C11 | C12 | 120.3° | 120.6° |
| C19 | C18 | C17 | 121.8° | 120.1° |
| C19 | C18 | H16 | 119.1° | 119.9° |
| C11 | C12 | C13 | 125.2° | 119.6° |
| C11 | C12 | H7 | 117.4° | 120.2° |
| C18 | C17 | C13 | 123.5° | 120.8° |
| C18 | C17 | H15 | 118.2° | 119.6° |
| C17 | C18 | H16 | 119.1° | 120.0° |
| C12 | C13 | C17 | 113.5° | 120.1° |
| C12 | C13 | C14 | 122.7° | 119.9° |
| C13 | C12 | H7 | 117.4° | 120.2° |
| C17 | C13 | C14 | 123.8° | 120.0° |
| C13 | C17 | H15 | 118.3° | 119.6° |
| C13 | C14 | C16 | 112.9° | 109.5° |
| C13 | C14 | C15 | 114.4° | 109.5° |
| C13 | C14 | H8 | 106.6° | 109.5° |
| C16 | C14 | C15 | 109.0° | 109.5° |
| C16 | C14 | H8 | 106.7° | 109.5° |
| C14 | C16 | H12 | 109.5° | 109.4° |
| C14 | C16 | H13 | 109.5° | 109.4° |
| C14 | C16 | H14 | 109.4° | 109.5° |
| C15 | C14 | H8 | 106.8° | 109.5° |
| C14 | C15 | H9 | 109.5° | 109.5° |
| C14 | C15 | H10 | 109.4° | 109.5° |
| C14 | C15 | H11 | 109.5° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H4 | C02 | H5 | 109.4° | 109.4° |
| H9 | C15 | H10 | 109.4° | 109.5° |
| H9 | C15 | H11 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.5° | 109.5° |
| H12 | C16 | H13 | 109.5° | 109.5° |
| H12 | C16 | H14 | 109.4° | 109.5° |
| H13 | C16 | H14 | 109.5° | 109.5° |
| H17 | N24 | H18 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O05 | C04 | O03 | C02 | 29.9° | 0.0° |
| O05 | C04 | O03 | C06 | 179.9° | 179.9° |
| O05 | C04 | C06 | C23 | 18.3° | 6.1° |
| O05 | C04 | C06 | C07 | 161.9° | 174.1° |
| C01 | C02 | O03 | H4 | 120.5° | 120.0° |
| C01 | C02 | O03 | H5 | 120.5° | 120.0° |
| C01 | C02 | O03 | C04 | 155.3° | 180.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.1° |
| C02 | C01 | H1 | H3 | 120.0° | 119.9° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 118.5° | 119.9° |
| C02 | O03 | C04 | C06 | 150.0° | 180.0° |
| O03 | C02 | C01 | H1 | 180.0° | 59.9° |
| O03 | C02 | C01 | H2 | 60.0° | 180.0° |
| O03 | C02 | C01 | H3 | 60.0° | 60.0° |
| O03 | C02 | H4 | H5 | 118.5° | 120.0° |
| N24 | C23 | C06 | C04 | 0.2° | 0.4° |
| N24 | C23 | C06 | N22 | 179.9° | 179.8° |
| N24 | C23 | C06 | C07 | 179.9° | 179.4° |
| N24 | C23 | N22 | C21 | 180.0° | 179.6° |
| C23 | N24 | H17 | H18 | 120.0° | 180.0° |
| O03 | C04 | C06 | C23 | 161.8° | 173.8° |
| O03 | C04 | C06 | C07 | 18.0° | 6.0° |
| C04 | O03 | C02 | H4 | 34.9° | 60.0° |
| C04 | O03 | C02 | H5 | 84.1° | 60.0° |
| C04 | C06 | C23 | C07 | 179.8° | 179.8° |
| C04 | C06 | C23 | N22 | 180.0° | 179.3° |
| C04 | C06 | C07 | C08 | 179.7° | 179.8° |
| C04 | C06 | C07 | H6 | 0.3° | 0.1° |
| C06 | C23 | N22 | C21 | 0.2° | 0.6° |
| C23 | C06 | C07 | C08 | 0.0° | 0.4° |
| C23 | C06 | C07 | H6 | 180.0° | 179.7° |
| C06 | C23 | N24 | H17 | 179.9° | 5.5° |
| C06 | C23 | N24 | H18 | 60.1° | 174.5° |
| N22 | C23 | C06 | C07 | 0.2° | 0.9° |
| C23 | N22 | C21 | C08 | 0.1° | 0.1° |
| C23 | N22 | C21 | O20 | 179.8° | 179.5° |
| N22 | C23 | N24 | H17 | 0.0° | 174.3° |
| N22 | C23 | N24 | H18 | 120.0° | 5.7° |
| C06 | C07 | C08 | H6 | 180.0° | 179.9° |
| C06 | C07 | C08 | C21 | 0.3° | 0.3° |
| C06 | C07 | C08 | C09 | 179.1° | 179.5° |
| N22 | C21 | C08 | C07 | 0.3° | 0.6° |
| N22 | C21 | C08 | O20 | 179.9° | 179.6° |
| N22 | C21 | C08 | C09 | 179.3° | 179.2° |
| N22 | C21 | O20 | C19 | 173.2° | 164.2° |
| C07 | C08 | C21 | C09 | 178.9° | 179.8° |
| C07 | C08 | C21 | O20 | 179.6° | 179.0° |
| C07 | C08 | C09 | O10 | 6.0° | 12.9° |
| C07 | C08 | C09 | C11 | 173.4° | 167.2° |
| C08 | C21 | O20 | C19 | 6.9° | 16.1° |
| C21 | C08 | C09 | O10 | 172.8° | 167.3° |
| C21 | C08 | C09 | C11 | 7.8° | 12.6° |
| C21 | C08 | C07 | H6 | 179.7° | 179.6° |
| O20 | C21 | C08 | C09 | 0.7° | 1.2° |
| C21 | O20 | C19 | C11 | 7.3° | 16.0° |
| C21 | O20 | C19 | C18 | 173.4° | 164.4° |
| C08 | C09 | O10 | C11 | 179.4° | 179.9° |
| C08 | C09 | C11 | C19 | 7.5° | 12.7° |
| C08 | C09 | C11 | C12 | 173.4° | 167.1° |
| C09 | C08 | C07 | H6 | 0.9° | 0.6° |
| O20 | C19 | C11 | C09 | 0.0° | 0.8° |
| O20 | C19 | C11 | C18 | 179.4° | 179.6° |
| O20 | C19 | C11 | C12 | 179.1° | 179.3° |
| O20 | C19 | C18 | C17 | 179.4° | 179.4° |
| O20 | C19 | C18 | H16 | 0.6° | 0.6° |
| O10 | C09 | C11 | C19 | 173.1° | 167.1° |
| O10 | C09 | C11 | C12 | 6.0° | 13.0° |
| C09 | C11 | C19 | C12 | 179.2° | 179.9° |
| C09 | C11 | C19 | C18 | 179.4° | 179.6° |
| C09 | C11 | C12 | C13 | 179.8° | 179.7° |
| C09 | C11 | C12 | H7 | 0.2° | 0.3° |
| C11 | C19 | C18 | C17 | 0.1° | 0.2° |
| C19 | C11 | C12 | C13 | 0.7° | 0.2° |
| C19 | C11 | C12 | H7 | 179.3° | 179.8° |
| C11 | C19 | C18 | H16 | 179.9° | 179.8° |
| C18 | C19 | C11 | C12 | 0.2° | 0.3° |
| C19 | C18 | C17 | H16 | 180.0° | 179.9° |
| C19 | C18 | C17 | C13 | 0.0° | 0.0° |
| C19 | C18 | C17 | H15 | 180.0° | 180.0° |
| C11 | C12 | C13 | H7 | 180.0° | 180.0° |
| C11 | C12 | C13 | C17 | 0.8° | 0.0° |
| C11 | C12 | C13 | C14 | 180.0° | 180.0° |
| C18 | C17 | C13 | C12 | 0.4° | 0.1° |
| C18 | C17 | C13 | H15 | 180.0° | 180.0° |
| C18 | C17 | C13 | C14 | 179.6° | 179.9° |
| C12 | C13 | C17 | C14 | 179.2° | 180.0° |
| C12 | C13 | C14 | C16 | 74.6° | 120.0° |
| C12 | C13 | C14 | C15 | 160.0° | 120.0° |
| C12 | C13 | C14 | H8 | 42.3° | 0.0° |
| C12 | C13 | C17 | H15 | 179.6° | 179.9° |
| C17 | C13 | C14 | C16 | 106.3° | 60.0° |
| C17 | C13 | C14 | C15 | 19.1° | 60.0° |
| C17 | C13 | C12 | H7 | 179.2° | 180.0° |
| C17 | C13 | C14 | H8 | 136.8° | 180.0° |
| C13 | C17 | C18 | H16 | 180.0° | 180.0° |
| C13 | C14 | C16 | C15 | 128.3° | 120.0° |
| C13 | C14 | C16 | H8 | 116.8° | 120.0° |
| C13 | C14 | C15 | H8 | 117.6° | 120.0° |
| C14 | C13 | C12 | H7 | 0.0° | 0.1° |
| C13 | C14 | C15 | H9 | 180.0° | 180.0° |
| C13 | C14 | C15 | H10 | 60.0° | 60.0° |
| C13 | C14 | C15 | H11 | 60.0° | 60.0° |
| C13 | C14 | C16 | H12 | 180.0° | 60.0° |
| C13 | C14 | C16 | H13 | 60.0° | 180.0° |
| C13 | C14 | C16 | H14 | 60.0° | 60.0° |
| C14 | C13 | C17 | H15 | 0.4° | 0.1° |
| C16 | C14 | C15 | H8 | 114.9° | 120.0° |
| C16 | C14 | C15 | H9 | 52.5° | 60.0° |
| C16 | C14 | C15 | H10 | 67.5° | 180.0° |
| C16 | C14 | C15 | H11 | 172.5° | 60.0° |
| C14 | C16 | H12 | H13 | 120.0° | 119.9° |
| C14 | C16 | H12 | H14 | 120.0° | 120.0° |
| C14 | C16 | H13 | H14 | 120.0° | 120.0° |
| C14 | C15 | H9 | H10 | 120.0° | 120.1° |
| C14 | C15 | H9 | H11 | 120.0° | 120.0° |
| C14 | C15 | H10 | H11 | 120.0° | 120.0° |
| C15 | C14 | C16 | H12 | 51.7° | 180.0° |
| C15 | C14 | C16 | H13 | 171.7° | 60.0° |
| C15 | C14 | C16 | H14 | 68.3° | 60.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 59.5° | 180.0° |
| H1 | C01 | C02 | H5 | 59.5° | 60.1° |
| H2 | C01 | C02 | H4 | 60.5° | 59.9° |
| H2 | C01 | C02 | H5 | 179.5° | 60.0° |
| H3 | C01 | C02 | H4 | 179.5° | 60.0° |
| H3 | C01 | C02 | H5 | 60.5° | 180.0° |
| H8 | C14 | C15 | H9 | 62.4° | 60.0° |
| H8 | C14 | C15 | H10 | 177.6° | 60.0° |
| H8 | C14 | C15 | H11 | 57.6° | 180.0° |
| H8 | C14 | C16 | H12 | 63.3° | 59.9° |
| H8 | C14 | C16 | H13 | 56.7° | 60.0° |
| H8 | C14 | C16 | H14 | 176.8° | 179.9° |
| H9 | C15 | H10 | H11 | 120.0° | 120.0° |
| H12 | C16 | H13 | H14 | 120.0° | 120.1° |
| H15 | C17 | C18 | H16 | 0.0° | 0.0° |
