E7E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C10 | doub | 1.22Å | 1.23Å | |
| N11 | C10 | sing | 1.35Å | 1.35Å | |
| C10 | C8 | sing | 1.47Å | 1.48Å | |
| C22 | C20 | sing | 1.51Å | 1.54Å | |
| C22 | N23 | sing | 1.47Å | 1.47Å | |
| C8 | C9 | doub | 1.36Å | 1.34Å | Aromatic |
| C8 | N7 | sing | 1.38Å | 1.31Å | Aromatic |
| C20 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C5 | sing | 1.41Å | 1.51Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| N7 | C6 | sing | 1.38Å | 1.35Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.41Å | Aromatic |
| C16 | N15 | sing | 1.40Å | 1.43Å | |
| C16 | C21 | doub | 1.39Å | 1.42Å | Aromatic |
| C6 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| N15 | C13 | sing | 1.35Å | 1.36Å | |
| C13 | C4 | sing | 1.48Å | 1.53Å | |
| C13 | O14 | doub | 1.22Å | 1.22Å | |
| C4 | C1 | doub | 1.39Å | 1.42Å | Aromatic |
| C19 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.42Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C18 | H5 | sing | 1.08Å | 1.08Å | |
| C19 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| N7 | H10 | sing | 0.97Å | 1.00Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| N11 | H12 | sing | 0.97Å | 1.00Å | |
| N11 | H13 | sing | 0.97Å | 1.00Å | |
| N15 | H14 | sing | 0.97Å | 1.00Å | |
| N23 | H15 | sing | 1.01Å | 1.00Å | |
| N23 | H16 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C10 | N11 | 120.1° | 120.0° |
| O12 | C10 | C8 | 117.9° | 120.0° |
| N11 | C10 | C8 | 122.0° | 120.0° |
| C10 | N11 | H12 | 120.0° | 119.9° |
| C10 | N11 | H13 | 120.0° | 120.0° |
| C10 | C8 | C9 | 124.8° | 125.5° |
| C10 | C8 | N7 | 126.2° | 125.4° |
| C20 | C22 | N23 | 112.9° | 109.5° |
| C22 | C20 | C17 | 118.1° | 120.0° |
| C22 | C20 | C18 | 123.0° | 119.9° |
| C20 | C22 | H8 | 108.6° | 109.5° |
| C20 | C22 | H9 | 108.6° | 109.5° |
| N23 | C22 | H8 | 108.6° | 109.5° |
| N23 | C22 | H9 | 108.6° | 109.4° |
| C22 | N23 | H15 | 109.5° | 111.0° |
| C22 | N23 | H16 | 109.5° | 111.0° |
| C9 | C8 | N7 | 109.1° | 109.1° |
| C8 | C9 | C5 | 107.5° | 107.7° |
| C8 | C9 | H11 | 126.2° | 126.1° |
| C8 | N7 | C6 | 112.1° | 108.8° |
| C8 | N7 | H10 | 123.9° | 125.6° |
| C17 | C20 | C18 | 118.8° | 120.1° |
| C20 | C17 | C16 | 122.0° | 120.0° |
| C20 | C17 | H4 | 119.0° | 120.0° |
| C20 | C18 | C19 | 120.7° | 120.2° |
| C20 | C18 | H5 | 119.6° | 120.0° |
| C9 | C5 | C6 | 102.0° | 107.1° |
| C9 | C5 | C4 | 135.3° | 133.4° |
| C5 | C9 | H11 | 126.3° | 126.1° |
| C17 | C16 | N15 | 116.4° | 120.1° |
| C17 | C16 | C21 | 118.4° | 119.8° |
| C16 | C17 | H4 | 119.0° | 120.0° |
| N7 | C6 | C5 | 109.3° | 107.3° |
| N7 | C6 | C3 | 128.7° | 133.0° |
| C6 | N7 | H10 | 124.0° | 125.6° |
| C18 | C19 | C21 | 119.7° | 120.1° |
| C19 | C18 | H5 | 119.6° | 119.9° |
| C18 | C19 | H6 | 120.1° | 120.0° |
| C6 | C5 | C4 | 122.7° | 119.5° |
| C5 | C6 | C3 | 122.0° | 119.7° |
| C5 | C4 | C13 | 121.2° | 120.3° |
| C5 | C4 | C1 | 115.2° | 119.4° |
| N15 | C16 | C21 | 125.2° | 120.0° |
| C16 | N15 | C13 | 128.7° | 119.9° |
| C16 | N15 | H14 | 115.7° | 120.0° |
| C16 | C21 | C19 | 120.5° | 119.9° |
| C16 | C21 | H7 | 119.8° | 120.0° |
| C6 | C3 | C2 | 116.6° | 120.2° |
| C6 | C3 | H3 | 121.7° | 119.9° |
| N15 | C13 | C4 | 120.2° | 120.0° |
| N15 | C13 | O14 | 122.4° | 120.1° |
| C13 | N15 | H14 | 115.6° | 120.0° |
| C4 | C13 | O14 | 117.3° | 120.0° |
| C13 | C4 | C1 | 123.6° | 120.3° |
| C4 | C1 | C2 | 122.3° | 120.2° |
| C4 | C1 | H1 | 118.9° | 119.9° |
| C21 | C19 | H6 | 120.2° | 119.9° |
| C19 | C21 | H7 | 119.8° | 120.0° |
| C3 | C2 | C1 | 121.2° | 120.9° |
| C3 | C2 | H2 | 119.4° | 119.6° |
| C2 | C3 | H3 | 121.7° | 119.9° |
| C2 | C1 | H1 | 118.8° | 119.8° |
| C1 | C2 | H2 | 119.4° | 119.6° |
| H8 | C22 | H9 | 109.4° | 109.4° |
| H12 | N11 | H13 | 120.0° | 120.1° |
| H15 | N23 | H16 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C10 | N11 | C8 | 178.5° | 180.0° |
| O12 | C10 | C8 | C9 | 1.4° | 0.0° |
| O12 | C10 | C8 | N7 | 176.6° | 178.3° |
| O12 | C10 | N11 | H12 | 0.0° | 180.0° |
| O12 | C10 | N11 | H13 | 180.0° | 0.0° |
| N11 | C10 | C8 | C9 | 179.9° | 180.0° |
| N11 | C10 | C8 | N7 | 1.9° | 1.7° |
| C10 | N11 | H12 | H13 | 180.0° | 180.0° |
| C10 | C8 | C9 | N7 | 178.4° | 178.5° |
| C10 | C8 | C9 | C5 | 178.6° | 180.0° |
| C10 | C8 | N7 | C6 | 179.4° | 179.5° |
| C10 | C8 | N7 | H10 | 0.6° | 0.5° |
| C10 | C8 | C9 | H11 | 1.4° | 1.6° |
| C8 | C10 | N11 | H12 | 178.5° | 0.1° |
| C8 | C10 | N11 | H13 | 1.5° | 180.0° |
| C20 | C22 | N23 | H8 | 120.5° | 120.0° |
| C20 | C22 | N23 | H9 | 120.5° | 120.0° |
| C22 | C20 | C17 | C18 | 177.2° | 180.0° |
| C22 | C20 | C17 | C16 | 178.2° | 180.0° |
| C22 | C20 | C18 | C19 | 177.9° | 179.7° |
| C22 | C20 | C17 | H4 | 1.8° | 0.0° |
| C22 | C20 | C18 | H5 | 2.1° | 0.0° |
| C20 | C22 | H8 | H9 | 118.4° | 120.0° |
| C20 | C22 | N23 | H15 | 180.0° | 56.1° |
| C20 | C22 | N23 | H16 | 60.0° | 180.0° |
| N23 | C22 | C20 | C17 | 156.9° | 90.0° |
| N23 | C22 | C20 | C18 | 20.1° | 90.0° |
| N23 | C22 | H8 | H9 | 118.4° | 119.9° |
| C22 | N23 | H15 | H16 | 120.0° | 124.0° |
| C8 | C9 | C5 | H11 | 180.0° | 178.4° |
| C9 | C8 | N7 | C6 | 1.0° | 1.0° |
| C8 | C9 | C5 | C6 | 0.6° | 1.5° |
| C8 | C9 | C5 | C4 | 180.0° | 179.6° |
| C9 | C8 | N7 | H10 | 179.0° | 179.0° |
| N7 | C8 | C9 | C5 | 0.2° | 1.5° |
| C8 | N7 | C6 | H10 | 180.0° | 179.9° |
| C8 | N7 | C6 | C5 | 1.5° | 0.0° |
| C8 | N7 | C6 | C3 | 179.9° | 179.0° |
| N7 | C8 | C9 | H11 | 179.8° | 179.9° |
| C20 | C17 | C16 | H4 | 180.0° | 180.0° |
| C17 | C20 | C18 | C19 | 0.9° | 0.3° |
| C20 | C17 | C16 | N15 | 179.0° | 180.0° |
| C20 | C17 | C16 | C21 | 0.6° | 0.2° |
| C17 | C20 | C18 | H5 | 179.1° | 180.0° |
| C17 | C20 | C22 | H8 | 36.4° | 150.0° |
| C17 | C20 | C22 | H9 | 82.6° | 30.0° |
| C18 | C20 | C17 | C16 | 1.0° | 0.0° |
| C20 | C18 | C19 | H5 | 180.0° | 179.7° |
| C20 | C18 | C19 | C21 | 0.5° | 0.3° |
| C18 | C20 | C17 | H4 | 179.0° | 180.0° |
| C20 | C18 | C19 | H6 | 179.5° | 179.8° |
| C18 | C20 | C22 | H8 | 140.7° | 30.0° |
| C18 | C20 | C22 | H9 | 100.4° | 150.0° |
| C9 | C5 | C6 | N7 | 1.2° | 0.9° |
| C9 | C5 | C6 | C4 | 179.5° | 179.1° |
| C9 | C5 | C6 | C3 | 179.8° | 179.9° |
| C9 | C5 | C4 | C13 | 1.8° | 0.6° |
| C9 | C5 | C4 | C1 | 179.4° | 179.3° |
| C17 | C16 | N15 | C21 | 178.3° | 179.8° |
| C17 | C16 | N15 | C13 | 168.0° | 35.3° |
| C17 | C16 | C21 | C19 | 0.1° | 0.2° |
| C17 | C16 | C21 | H7 | 179.9° | 179.7° |
| C17 | C16 | N15 | H14 | 12.0° | 144.7° |
| N7 | C6 | C5 | C3 | 178.6° | 179.2° |
| N7 | C6 | C5 | C4 | 179.3° | 180.0° |
| N7 | C6 | C3 | C2 | 178.5° | 179.5° |
| N7 | C6 | C3 | H3 | 1.5° | 0.5° |
| C18 | C19 | C21 | C16 | 0.1° | 0.1° |
| C18 | C19 | C21 | H6 | 180.0° | 179.9° |
| C18 | C19 | C21 | H7 | 179.9° | 180.0° |
| C6 | C5 | C4 | C13 | 178.9° | 179.4° |
| C6 | C5 | C4 | C1 | 1.3° | 0.5° |
| C5 | C6 | C3 | C2 | 0.2° | 0.6° |
| C5 | C6 | C3 | H3 | 179.8° | 179.4° |
| C5 | C6 | N7 | H10 | 178.5° | 179.9° |
| C6 | C5 | C9 | H11 | 179.4° | 179.9° |
| C4 | C5 | C6 | C3 | 0.7° | 0.9° |
| C5 | C4 | C13 | N15 | 162.8° | 180.0° |
| C5 | C4 | C13 | C1 | 177.4° | 179.9° |
| C5 | C4 | C13 | O14 | 18.6° | 0.1° |
| C5 | C4 | C1 | C2 | 1.4° | 0.1° |
| C5 | C4 | C1 | H1 | 178.6° | 179.7° |
| C4 | C5 | C9 | H11 | 0.0° | 1.2° |
| C16 | N15 | C13 | H14 | 180.0° | 180.0° |
| C16 | N15 | C13 | C4 | 178.1° | 175.4° |
| C16 | N15 | C13 | O14 | 0.4° | 4.6° |
| N15 | C16 | C21 | C19 | 178.4° | 180.0° |
| N15 | C16 | C17 | H4 | 1.0° | 0.0° |
| N15 | C16 | C21 | H7 | 1.6° | 0.0° |
| C21 | C16 | N15 | C13 | 13.7° | 144.9° |
| C16 | C21 | C19 | H7 | 180.0° | 179.9° |
| C21 | C16 | C17 | H4 | 179.4° | 179.8° |
| C16 | C21 | C19 | H6 | 179.9° | 180.0° |
| C21 | C16 | N15 | H14 | 166.3° | 35.1° |
| C6 | C3 | C2 | H3 | 180.0° | 180.0° |
| C6 | C3 | C2 | C1 | 0.3° | 0.1° |
| C6 | C3 | C2 | H2 | 179.7° | 180.0° |
| C3 | C6 | N7 | H10 | 0.1° | 1.0° |
| N15 | C13 | C4 | O14 | 178.6° | 180.0° |
| N15 | C13 | C4 | C1 | 19.8° | 0.1° |
| C13 | C4 | C1 | C2 | 178.9° | 180.0° |
| C13 | C4 | C1 | H1 | 1.1° | 0.4° |
| C4 | C13 | N15 | H14 | 1.9° | 4.6° |
| O14 | C13 | C4 | C1 | 158.8° | 180.0° |
| O14 | C13 | N15 | H14 | 179.6° | 175.3° |
| C4 | C1 | C2 | C3 | 0.9° | 0.4° |
| C4 | C1 | C2 | H1 | 180.0° | 179.7° |
| C4 | C1 | C2 | H2 | 179.1° | 179.7° |
| C21 | C19 | C18 | H5 | 179.5° | 180.0° |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C3 | C2 | C1 | H1 | 179.1° | 180.0° |
| C1 | C2 | C3 | H3 | 179.7° | 179.9° |
| H1 | C1 | C2 | H2 | 0.9° | 0.1° |
| H2 | C2 | C3 | H3 | 0.3° | 0.0° |
| H5 | C18 | C19 | H6 | 0.5° | 0.1° |
| H6 | C19 | C21 | H7 | 0.1° | 0.1° |
| H8 | C22 | N23 | H15 | 59.4° | 64.0° |
| H8 | C22 | N23 | H16 | 179.5° | 60.0° |
| H9 | C22 | N23 | H15 | 59.5° | 176.1° |
| H9 | C22 | N23 | H16 | 60.6° | 59.9° |
