E5C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | sing | 1.53Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C9 | N | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| N | C7 | sing | 1.47Å | 1.47Å | |
| N | C8 | sing | 1.47Å | 1.46Å | |
| C12 | C8 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C6 | O2 | sing | 1.46Å | 1.46Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| O2 | C16 | sing | 1.36Å | 1.35Å | |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C16 | O3 | doub | 1.22Å | 1.21Å | |
| C16 | C15 | sing | 1.48Å | 1.46Å | |
| C4 | C15 | doub | 1.40Å | 1.41Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C | O | sing | 1.36Å | 1.36Å | |
| C | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.36Å | |
| O | H2 | sing | 0.97Å | 0.95Å | |
| C1 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H16 | sing | 1.09Å | 1.10Å | |
| C6 | H17 | sing | 1.09Å | 1.10Å | |
| C7 | H18 | sing | 1.09Å | 1.10Å | |
| C7 | H19 | sing | 1.09Å | 1.10Å | |
| C8 | H20 | sing | 1.09Å | 1.10Å | |
| C8 | H21 | sing | 1.09Å | 1.10Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| O1 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C10 | C11 | 110.7° | 109.3° |
| C10 | C9 | N | 110.9° | 109.5° |
| C9 | C10 | H4 | 109.2° | 109.5° |
| C9 | C10 | H5 | 109.2° | 109.5° |
| C10 | C9 | H22 | 109.1° | 109.5° |
| C10 | C9 | H23 | 109.1° | 109.5° |
| C10 | C11 | C12 | 112.0° | 109.2° |
| C11 | C10 | H4 | 109.1° | 109.5° |
| C11 | C10 | H5 | 109.2° | 109.5° |
| C10 | C11 | H6 | 108.8° | 109.5° |
| C10 | C11 | H7 | 108.8° | 109.5° |
| C9 | N | C7 | 111.6° | 111.0° |
| C9 | N | C8 | 109.8° | 111.2° |
| N | C9 | H22 | 109.1° | 109.4° |
| N | C9 | H23 | 109.1° | 109.5° |
| C11 | C12 | C8 | 108.9° | 109.3° |
| C11 | C12 | C13 | 112.0° | 109.5° |
| C12 | C11 | H6 | 108.8° | 109.5° |
| C12 | C11 | H7 | 108.8° | 109.6° |
| C11 | C12 | H8 | 108.4° | 109.5° |
| C7 | N | C8 | 112.5° | 111.0° |
| N | C7 | C6 | 116.5° | 109.5° |
| N | C7 | H18 | 107.7° | 109.5° |
| N | C7 | H19 | 107.7° | 109.5° |
| N | C8 | C12 | 110.7° | 109.5° |
| N | C8 | H20 | 109.2° | 109.4° |
| N | C8 | H21 | 109.1° | 109.4° |
| C8 | C12 | C13 | 110.9° | 109.4° |
| C8 | C12 | H8 | 108.4° | 109.5° |
| C12 | C8 | H20 | 109.2° | 109.5° |
| C12 | C8 | H21 | 109.2° | 109.5° |
| C12 | C13 | C14 | 114.5° | 109.4° |
| C13 | C12 | H8 | 108.3° | 109.6° |
| C12 | C13 | H9 | 108.2° | 109.5° |
| C12 | C13 | H10 | 108.2° | 109.5° |
| C7 | C6 | O2 | 106.3° | 109.5° |
| C7 | C6 | C5 | 112.0° | 109.5° |
| C7 | C6 | H17 | 109.2° | 109.6° |
| C6 | C7 | H18 | 107.7° | 109.5° |
| C6 | C7 | H19 | 107.7° | 109.5° |
| C14 | C13 | H9 | 108.2° | 109.4° |
| C14 | C13 | H10 | 108.2° | 109.5° |
| C13 | C14 | H11 | 109.5° | 109.5° |
| C13 | C14 | H12 | 109.5° | 109.5° |
| C13 | C14 | H13 | 109.4° | 109.5° |
| O2 | C6 | C5 | 110.0° | 109.3° |
| C6 | O2 | C16 | 118.8° | 114.5° |
| O2 | C6 | H17 | 109.9° | 109.5° |
| C6 | C5 | C4 | 110.7° | 110.3° |
| C6 | C5 | H15 | 109.2° | 109.3° |
| C6 | C5 | H16 | 109.1° | 109.2° |
| C5 | C6 | H17 | 109.3° | 109.5° |
| O2 | C16 | O3 | 117.5° | 121.4° |
| O2 | C16 | C15 | 118.2° | 117.2° |
| C5 | C4 | C15 | 118.4° | 120.6° |
| C5 | C4 | C3 | 121.9° | 119.9° |
| C4 | C5 | H15 | 109.2° | 109.3° |
| C4 | C5 | H16 | 109.2° | 109.4° |
| O3 | C16 | C15 | 124.3° | 121.4° |
| C16 | C15 | C4 | 121.0° | 119.4° |
| C16 | C15 | C | 120.3° | 120.3° |
| C15 | C4 | C3 | 119.7° | 119.6° |
| C4 | C15 | C | 118.7° | 120.2° |
| C4 | C3 | C2 | 120.6° | 120.3° |
| C4 | C3 | H14 | 119.7° | 119.9° |
| C15 | C | O | 120.7° | 120.3° |
| C15 | C | C1 | 120.8° | 119.6° |
| C3 | C2 | C1 | 120.5° | 120.5° |
| C3 | C2 | O1 | 119.8° | 119.8° |
| C2 | C3 | H14 | 119.7° | 119.9° |
| O | C | C1 | 118.5° | 120.2° |
| C | O | H2 | 109.5° | 114.0° |
| C | C1 | C2 | 119.7° | 119.9° |
| C | C1 | H3 | 120.2° | 120.1° |
| C1 | C2 | O1 | 119.8° | 119.8° |
| C2 | C1 | H3 | 120.2° | 120.0° |
| C2 | O1 | H24 | 109.5° | 113.9° |
| H4 | C10 | H5 | 109.5° | 109.6° |
| H6 | C11 | H7 | 109.5° | 109.6° |
| H9 | C13 | H10 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.4° | 109.5° |
| H11 | C14 | H13 | 109.5° | 109.4° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H15 | C5 | H16 | 109.5° | 109.3° |
| H18 | C7 | H19 | 109.5° | 109.4° |
| H20 | C8 | H21 | 109.5° | 109.5° |
| H22 | C9 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C10 | C11 | H4 | 120.2° | 119.9° |
| C9 | C10 | C11 | H5 | 120.2° | 119.9° |
| C10 | C9 | N | H22 | 120.2° | 120.0° |
| C10 | C9 | N | H23 | 120.2° | 120.0° |
| C9 | C10 | C11 | C12 | 51.5° | 57.7° |
| C10 | C9 | N | C7 | 172.8° | 174.1° |
| C10 | C9 | N | C8 | 61.6° | 61.7° |
| C9 | C10 | H4 | H5 | 119.5° | 120.1° |
| C9 | C10 | C11 | H6 | 68.9° | 62.2° |
| C9 | C10 | C11 | H7 | 171.9° | 177.6° |
| C10 | C9 | H22 | H23 | 119.4° | 120.0° |
| C11 | C10 | C9 | N | 55.3° | 59.2° |
| C10 | C11 | C12 | H6 | 120.4° | 119.9° |
| C10 | C11 | C12 | H7 | 120.4° | 119.9° |
| C10 | C11 | C12 | C8 | 52.5° | 57.7° |
| C10 | C11 | C12 | C13 | 175.5° | 177.6° |
| C11 | C10 | H4 | H5 | 119.4° | 120.1° |
| C10 | C11 | H6 | H7 | 118.8° | 120.1° |
| C10 | C11 | C12 | H8 | 65.1° | 62.3° |
| C11 | C10 | C9 | H22 | 175.5° | 60.8° |
| C11 | C10 | C9 | H23 | 64.9° | 179.2° |
| C9 | N | C7 | C8 | 124.0° | 124.2° |
| C9 | N | C8 | C12 | 63.6° | 61.7° |
| C9 | N | C7 | C6 | 95.4° | 65.8° |
| N | C9 | C10 | H4 | 175.4° | 60.8° |
| N | C9 | C10 | H5 | 64.9° | 179.1° |
| C9 | N | C7 | H18 | 143.6° | 54.2° |
| C9 | N | C7 | H19 | 25.6° | 174.2° |
| C9 | N | C8 | H20 | 176.2° | 178.3° |
| C9 | N | C8 | H21 | 56.6° | 58.3° |
| N | C9 | H22 | H23 | 119.3° | 120.0° |
| C11 | C12 | C8 | N | 58.5° | 59.2° |
| C11 | C12 | C8 | C13 | 123.6° | 120.0° |
| C11 | C12 | C8 | H8 | 117.7° | 120.0° |
| C11 | C12 | C13 | H8 | 119.4° | 120.2° |
| C11 | C12 | C13 | C14 | 179.3° | 65.0° |
| C12 | C11 | C10 | H4 | 171.7° | 62.3° |
| C12 | C11 | C10 | H5 | 68.7° | 177.6° |
| C12 | C11 | H6 | H7 | 118.8° | 120.2° |
| C11 | C12 | C13 | H9 | 58.5° | 175.0° |
| C11 | C12 | C13 | H10 | 60.0° | 55.0° |
| C11 | C12 | C8 | H20 | 178.7° | 179.2° |
| C11 | C12 | C8 | H21 | 61.7° | 60.8° |
| C7 | N | C8 | C12 | 171.3° | 174.1° |
| N | C7 | C6 | H18 | 121.0° | 120.0° |
| N | C7 | C6 | H19 | 121.0° | 120.0° |
| N | C7 | C6 | O2 | 67.4° | 60.0° |
| N | C7 | C6 | C5 | 172.4° | 179.8° |
| N | C7 | C6 | H17 | 51.2° | 60.1° |
| N | C7 | H18 | H19 | 116.8° | 120.0° |
| C7 | N | C8 | H20 | 51.1° | 54.1° |
| C7 | N | C8 | H21 | 68.5° | 65.8° |
| C7 | N | C9 | H22 | 52.6° | 65.8° |
| C7 | N | C9 | H23 | 66.9° | 54.1° |
| N | C8 | C12 | H20 | 120.2° | 120.0° |
| N | C8 | C12 | H21 | 120.2° | 120.0° |
| N | C8 | C12 | C13 | 177.9° | 179.2° |
| C8 | N | C7 | C6 | 28.6° | 170.0° |
| N | C8 | C12 | H8 | 59.2° | 60.8° |
| C8 | N | C7 | H18 | 92.4° | 70.0° |
| C8 | N | C7 | H19 | 149.6° | 50.0° |
| N | C8 | H20 | H21 | 119.4° | 119.9° |
| C8 | N | C9 | H22 | 178.2° | 58.3° |
| C8 | N | C9 | H23 | 58.6° | 178.2° |
| C8 | C12 | C13 | H8 | 118.8° | 120.0° |
| C8 | C12 | C13 | C14 | 57.4° | 175.2° |
| C8 | C12 | C11 | H6 | 67.9° | 62.2° |
| C8 | C12 | C11 | H7 | 172.9° | 177.6° |
| C8 | C12 | C13 | H9 | 63.3° | 55.2° |
| C8 | C12 | C13 | H10 | 178.2° | 64.8° |
| C12 | C8 | H20 | H21 | 119.5° | 120.0° |
| C12 | C13 | C14 | H9 | 120.7° | 120.0° |
| C12 | C13 | C14 | H10 | 120.7° | 120.0° |
| C13 | C12 | C11 | H6 | 55.1° | 57.7° |
| C13 | C12 | C11 | H7 | 64.1° | 62.5° |
| C12 | C13 | H9 | H10 | 117.7° | 120.1° |
| C12 | C13 | C14 | H11 | 180.0° | 60.0° |
| C12 | C13 | C14 | H12 | 60.0° | 60.0° |
| C12 | C13 | C14 | H13 | 60.0° | 179.9° |
| C13 | C12 | C8 | H20 | 57.7° | 60.9° |
| C13 | C12 | C8 | H21 | 61.9° | 59.1° |
| C7 | C6 | O2 | C5 | 121.5° | 119.9° |
| C7 | C6 | O2 | H17 | 118.1° | 120.2° |
| C7 | C6 | C5 | H17 | 121.1° | 120.2° |
| C7 | C6 | O2 | C16 | 173.6° | 177.4° |
| C7 | C6 | C5 | C4 | 169.3° | 169.7° |
| C7 | C6 | C5 | H15 | 70.5° | 49.5° |
| C7 | C6 | C5 | H16 | 49.1° | 70.1° |
| C6 | C7 | H18 | H19 | 116.8° | 120.0° |
| C14 | C13 | C12 | H8 | 61.3° | 55.2° |
| C14 | C13 | H9 | H10 | 117.7° | 120.0° |
| C13 | C14 | H11 | H12 | 120.0° | 120.1° |
| C13 | C14 | H11 | H13 | 120.0° | 120.0° |
| C13 | C14 | H12 | H13 | 120.0° | 120.0° |
| O2 | C6 | C5 | H17 | 120.8° | 119.9° |
| O2 | C6 | C5 | C4 | 51.3° | 49.8° |
| C6 | O2 | C16 | O3 | 155.1° | 138.2° |
| C6 | O2 | C16 | C15 | 25.3° | 41.9° |
| O2 | C6 | C5 | H15 | 171.5° | 70.4° |
| O2 | C6 | C5 | H16 | 68.9° | 170.0° |
| O2 | C6 | C7 | H18 | 171.6° | 180.0° |
| O2 | C6 | C7 | H19 | 53.6° | 60.0° |
| C5 | C6 | O2 | C16 | 52.1° | 62.7° |
| C6 | C5 | C4 | H15 | 120.2° | 120.2° |
| C6 | C5 | C4 | H16 | 120.2° | 120.1° |
| C6 | C5 | C4 | C15 | 29.1° | 21.4° |
| C6 | C5 | C4 | C3 | 152.2° | 158.9° |
| C6 | C5 | H15 | H16 | 119.4° | 119.5° |
| C5 | C6 | C7 | H18 | 51.4° | 60.2° |
| C5 | C6 | C7 | H19 | 66.6° | 59.8° |
| O2 | C16 | O3 | C15 | 179.6° | 179.9° |
| O2 | C16 | C15 | C4 | 0.7° | 10.0° |
| O2 | C16 | C15 | C | 178.5° | 170.2° |
| C16 | O2 | C6 | H17 | 68.4° | 57.2° |
| C5 | C4 | C15 | C16 | 2.7° | 0.8° |
| C5 | C4 | C15 | C3 | 178.7° | 179.7° |
| C5 | C4 | C15 | C | 178.2° | 179.4° |
| C5 | C4 | C3 | C2 | 178.3° | 179.8° |
| C5 | C4 | C3 | H14 | 1.7° | 0.5° |
| C4 | C5 | H15 | H16 | 119.5° | 119.7° |
| C4 | C5 | C6 | H17 | 69.6° | 70.1° |
| O3 | C16 | C15 | C4 | 178.9° | 170.1° |
| O3 | C16 | C15 | C | 2.0° | 9.7° |
| C16 | C15 | C4 | C | 179.1° | 179.8° |
| C16 | C15 | C4 | C3 | 178.6° | 179.5° |
| C16 | C15 | C | O | 1.2° | 0.4° |
| C16 | C15 | C | C1 | 178.8° | 179.4° |
| C15 | C4 | C3 | C2 | 0.3° | 0.1° |
| C4 | C15 | C | O | 179.6° | 179.8° |
| C4 | C15 | C | C1 | 0.3° | 0.4° |
| C15 | C4 | C3 | H14 | 179.7° | 179.9° |
| C15 | C4 | C5 | H15 | 149.3° | 98.8° |
| C15 | C4 | C5 | H16 | 91.1° | 141.5° |
| C3 | C4 | C15 | C | 0.5° | 0.2° |
| C4 | C3 | C2 | H14 | 180.0° | 179.7° |
| C4 | C3 | C2 | C1 | 0.1° | 0.3° |
| C4 | C3 | C2 | O1 | 179.9° | 179.7° |
| C3 | C4 | C5 | H15 | 32.1° | 80.9° |
| C3 | C4 | C5 | H16 | 87.6° | 38.8° |
| C15 | C | O | C1 | 179.9° | 179.8° |
| C15 | C | C1 | C2 | 0.1° | 0.2° |
| C15 | C | O | H2 | 0.4° | 90.2° |
| C15 | C | C1 | H3 | 179.9° | 179.7° |
| C3 | C2 | C1 | C | 0.3° | 0.2° |
| C3 | C2 | C1 | O1 | 179.9° | 179.9° |
| C3 | C2 | C1 | H3 | 179.7° | 179.9° |
| C3 | C2 | O1 | H24 | 180.0° | 90.1° |
| O | C | C1 | C2 | 180.0° | 180.0° |
| O | C | C1 | H3 | 0.0° | 0.1° |
| C | C1 | C2 | H3 | 180.0° | 179.9° |
| C | C1 | C2 | O1 | 179.8° | 179.9° |
| C1 | C | O | H2 | 179.7° | 90.0° |
| C1 | C2 | C3 | H14 | 179.9° | 179.9° |
| C1 | C2 | O1 | H24 | 0.1° | 90.0° |
| O1 | C2 | C1 | H3 | 0.3° | 0.0° |
| O1 | C2 | C3 | H14 | 0.1° | 0.0° |
| H4 | C10 | C11 | H6 | 51.3° | 177.8° |
| H4 | C10 | C11 | H7 | 67.9° | 57.7° |
| H4 | C10 | C9 | H22 | 64.4° | 179.3° |
| H4 | C10 | C9 | H23 | 55.2° | 59.3° |
| H5 | C10 | C11 | H6 | 170.9° | 57.7° |
| H5 | C10 | C11 | H7 | 51.7° | 62.5° |
| H5 | C10 | C9 | H22 | 55.3° | 59.1° |
| H5 | C10 | C9 | H23 | 174.9° | 60.9° |
| H6 | C11 | C12 | H8 | 174.5° | 177.9° |
| H7 | C11 | C12 | H8 | 55.2° | 57.7° |
| H8 | C12 | C13 | H9 | 177.9° | 64.8° |
| H8 | C12 | C13 | H10 | 59.4° | 175.1° |
| H8 | C12 | C8 | H20 | 61.0° | 59.2° |
| H8 | C12 | C8 | H21 | 179.3° | 179.2° |
| H9 | C13 | C14 | H11 | 59.3° | 180.0° |
| H9 | C13 | C14 | H12 | 179.3° | 60.0° |
| H9 | C13 | C14 | H13 | 60.7° | 60.1° |
| H10 | C13 | C14 | H11 | 59.3° | 60.0° |
| H10 | C13 | C14 | H12 | 60.7° | 180.0° |
| H10 | C13 | C14 | H13 | 179.3° | 59.9° |
| H11 | C14 | H12 | H13 | 120.0° | 119.9° |
| H15 | C5 | C6 | H17 | 50.6° | 169.6° |
| H16 | C5 | C6 | H17 | 170.3° | 50.1° |
| H17 | C6 | C7 | H18 | 69.8° | 59.9° |
| H17 | C6 | C7 | H19 | 172.2° | 179.9° |
