A1H4E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F2 | C15 | sing | 1.40Å | 1.31Å | |
| F | C15 | sing | 1.40Å | 1.32Å | |
| C15 | F1 | sing | 1.40Å | 1.33Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C14 | N2 | sing | 1.47Å | 1.46Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| N2 | C8 | sing | 1.36Å | 1.41Å | |
| N2 | C10 | sing | 1.47Å | 1.47Å | |
| N1 | C8 | doub | 1.31Å | 1.35Å | |
| N1 | C7 | sing | 1.34Å | 1.35Å | |
| C | C1 | sing | 1.53Å | 1.53Å | |
| O1 | C7 | doub | 1.22Å | 1.27Å | |
| C8 | C9 | sing | 1.51Å | 1.40Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.41Å | 1.40Å | |
| C9 | C5 | sing | 1.52Å | 1.40Å | |
| C6 | C5 | doub | 1.35Å | 1.39Å | |
| C5 | N | sing | 1.37Å | 1.41Å | |
| C1 | N | sing | 1.47Å | 1.46Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| N | C4 | sing | 1.47Å | 1.45Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| O | C2 | sing | 1.43Å | 1.41Å | |
| O | C3 | sing | 1.43Å | 1.41Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C6 | H17 | sing | 1.08Å | 1.08Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C | H19 | sing | 1.09Å | 1.10Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C4 | H21 | sing | 1.09Å | 1.10Å | |
| C4 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F2 | C15 | F | 111.8° | 109.5° |
| F2 | C15 | F1 | 104.4° | 109.4° |
| F2 | C15 | C14 | 108.1° | 109.5° |
| F | C15 | F1 | 111.1° | 109.5° |
| F | C15 | C14 | 108.7° | 109.5° |
| F1 | C15 | C14 | 112.6° | 109.5° |
| C15 | C14 | C13 | 114.2° | 109.6° |
| C15 | C14 | N2 | 111.2° | 109.5° |
| C15 | C14 | H16 | 106.4° | 109.7° |
| C13 | C14 | N2 | 110.7° | 108.8° |
| C14 | C13 | C12 | 117.0° | 109.3° |
| C14 | C13 | H14 | 107.6° | 109.5° |
| C14 | C13 | H15 | 107.6° | 109.5° |
| C13 | C14 | H16 | 106.5° | 109.6° |
| C14 | N2 | C8 | 118.1° | 120.7° |
| C14 | N2 | C10 | 116.9° | 118.7° |
| N2 | C14 | H16 | 107.4° | 109.6° |
| C13 | C12 | C11 | 108.6° | 109.5° |
| C13 | C12 | H12 | 109.7° | 109.5° |
| C13 | C12 | H13 | 109.7° | 109.5° |
| C12 | C13 | H14 | 107.5° | 109.5° |
| C12 | C13 | H15 | 107.6° | 109.5° |
| C12 | C11 | C10 | 109.4° | 109.3° |
| C12 | C11 | H10 | 109.5° | 109.5° |
| C12 | C11 | H11 | 109.5° | 109.6° |
| C11 | C12 | H12 | 109.7° | 109.5° |
| C11 | C12 | H13 | 109.7° | 109.4° |
| C8 | N2 | C10 | 119.0° | 120.6° |
| N2 | C8 | N1 | 119.5° | 120.5° |
| N2 | C8 | C9 | 120.9° | 120.6° |
| N2 | C10 | C11 | 109.7° | 108.8° |
| N2 | C10 | H8 | 109.4° | 109.6° |
| N2 | C10 | H9 | 109.4° | 109.7° |
| C8 | N1 | C7 | 121.7° | 122.7° |
| N1 | C8 | C9 | 119.6° | 118.8° |
| N1 | C7 | O1 | 119.4° | 118.2° |
| N1 | C7 | C6 | 120.3° | 123.6° |
| C | C1 | N | 108.4° | 109.6° |
| C | C1 | C2 | 111.9° | 109.7° |
| C | C1 | H1 | 108.3° | 109.7° |
| C1 | C | H18 | 109.5° | 109.5° |
| C1 | C | H19 | 109.4° | 109.5° |
| C1 | C | H20 | 109.5° | 109.5° |
| O1 | C7 | C6 | 120.4° | 118.2° |
| C8 | C9 | C5 | 120.3° | 117.0° |
| C8 | C9 | H6 | 106.7° | 107.9° |
| C8 | C9 | H7 | 106.7° | 107.9° |
| C11 | C10 | H8 | 109.4° | 109.6° |
| C11 | C10 | H9 | 109.4° | 109.6° |
| C10 | C11 | H10 | 109.5° | 109.5° |
| C10 | C11 | H11 | 109.5° | 109.4° |
| C7 | C6 | C5 | 119.8° | 120.5° |
| C7 | C6 | H17 | 120.1° | 119.8° |
| C9 | C5 | C6 | 118.2° | 117.3° |
| C9 | C5 | N | 120.1° | 121.3° |
| C5 | C9 | H6 | 106.7° | 108.0° |
| C5 | C9 | H7 | 106.7° | 107.9° |
| C6 | C5 | N | 121.7° | 121.4° |
| C5 | C6 | H17 | 120.1° | 119.7° |
| C5 | N | C1 | 119.7° | 121.0° |
| C5 | N | C4 | 117.5° | 120.9° |
| N | C1 | C2 | 110.6° | 108.4° |
| C1 | N | C4 | 116.2° | 118.0° |
| N | C1 | H1 | 109.2° | 109.7° |
| C1 | C2 | O | 112.6° | 109.3° |
| C2 | C1 | H1 | 108.3° | 109.7° |
| C1 | C2 | H2 | 108.7° | 109.5° |
| C1 | C2 | H3 | 108.7° | 109.5° |
| N | C4 | C3 | 110.9° | 108.4° |
| N | C4 | H21 | 109.1° | 109.7° |
| N | C4 | H22 | 109.1° | 109.7° |
| C4 | C3 | O | 109.9° | 109.2° |
| C4 | C3 | H4 | 109.3° | 109.5° |
| C4 | C3 | H5 | 109.4° | 109.5° |
| C3 | C4 | H21 | 109.1° | 109.7° |
| C3 | C4 | H22 | 109.1° | 109.6° |
| C2 | O | C3 | 109.5° | 114.2° |
| O | C2 | H2 | 108.7° | 109.5° |
| O | C2 | H3 | 108.7° | 109.5° |
| O | C3 | H4 | 109.4° | 109.6° |
| O | C3 | H5 | 109.4° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H6 | C9 | H7 | 109.4° | 107.8° |
| H8 | C10 | H9 | 109.5° | 109.6° |
| H10 | C11 | H11 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H14 | C13 | H15 | 109.4° | 109.5° |
| H18 | C | H19 | 109.5° | 109.5° |
| H18 | C | H20 | 109.5° | 109.5° |
| H19 | C | H20 | 109.5° | 109.5° |
| H21 | C4 | H22 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F2 | C15 | F | F1 | 116.2° | 120.0° |
| F2 | C15 | F | C14 | 119.3° | 120.0° |
| F2 | C15 | F1 | C14 | 117.0° | 120.0° |
| F2 | C15 | C14 | C13 | 63.5° | 172.4° |
| F2 | C15 | C14 | N2 | 170.3° | 68.3° |
| F2 | C15 | C14 | H16 | 53.7° | 52.0° |
| F | C15 | F1 | C14 | 122.3° | 120.0° |
| F | C15 | C14 | C13 | 58.0° | 67.6° |
| F | C15 | C14 | N2 | 68.1° | 51.7° |
| F | C15 | C14 | H16 | 175.2° | 172.1° |
| F1 | C15 | C14 | C13 | 178.4° | 52.4° |
| F1 | C15 | C14 | N2 | 55.5° | 171.7° |
| F1 | C15 | C14 | H16 | 61.1° | 67.9° |
| C15 | C14 | C13 | N2 | 126.4° | 119.7° |
| C15 | C14 | C13 | H16 | 117.1° | 120.4° |
| C15 | C14 | N2 | H16 | 116.0° | 120.4° |
| C15 | C14 | C13 | C12 | 84.3° | 174.4° |
| C15 | C14 | N2 | C8 | 69.7° | 6.6° |
| C15 | C14 | N2 | C10 | 82.7° | 173.4° |
| C15 | C14 | C13 | H14 | 154.6° | 54.4° |
| C15 | C14 | C13 | H15 | 36.8° | 65.6° |
| C13 | C14 | N2 | H16 | 115.9° | 119.8° |
| C14 | C13 | C12 | H14 | 121.1° | 120.0° |
| C14 | C13 | C12 | H15 | 121.1° | 120.0° |
| C14 | C13 | C12 | C11 | 49.6° | 61.3° |
| C13 | C14 | N2 | C8 | 162.2° | 126.4° |
| C13 | C14 | N2 | C10 | 45.3° | 53.6° |
| C14 | C13 | C12 | H12 | 169.5° | 178.6° |
| C14 | C13 | C12 | H13 | 70.2° | 58.6° |
| C14 | C13 | H14 | H15 | 116.6° | 120.1° |
| N2 | C14 | C13 | C12 | 42.1° | 54.7° |
| C14 | N2 | C8 | C10 | 151.8° | 180.0° |
| C14 | N2 | C8 | N1 | 34.7° | 5.7° |
| C14 | N2 | C8 | C9 | 144.0° | 174.3° |
| C14 | N2 | C10 | C11 | 56.6° | 53.6° |
| C14 | N2 | C10 | H8 | 63.4° | 66.1° |
| C14 | N2 | C10 | H9 | 176.7° | 173.5° |
| N2 | C14 | C13 | H14 | 79.0° | 65.3° |
| N2 | C14 | C13 | H15 | 163.2° | 174.6° |
| C13 | C12 | C11 | H12 | 119.8° | 120.1° |
| C13 | C12 | C11 | H13 | 119.8° | 120.0° |
| C13 | C12 | C11 | C10 | 57.8° | 61.3° |
| C13 | C12 | C11 | H10 | 62.2° | 58.6° |
| C13 | C12 | C11 | H11 | 177.8° | 178.7° |
| C13 | C12 | H12 | H13 | 120.4° | 120.0° |
| C12 | C13 | H14 | H15 | 116.6° | 120.1° |
| C12 | C13 | C14 | H16 | 158.5° | 65.2° |
| C12 | C11 | C10 | N2 | 61.8° | 54.6° |
| C12 | C11 | C10 | H10 | 120.0° | 119.9° |
| C12 | C11 | C10 | H11 | 120.0° | 120.0° |
| C12 | C11 | C10 | H8 | 58.3° | 65.1° |
| C12 | C11 | C10 | H9 | 178.2° | 174.5° |
| C12 | C11 | H10 | H11 | 120.0° | 120.2° |
| C11 | C12 | H12 | H13 | 120.4° | 119.9° |
| C11 | C12 | C13 | H14 | 71.5° | 58.6° |
| C11 | C12 | C13 | H15 | 170.8° | 178.7° |
| N2 | C8 | N1 | C9 | 178.7° | 180.0° |
| N2 | C8 | N1 | C7 | 179.9° | 180.0° |
| C8 | N2 | C10 | C11 | 151.2° | 126.4° |
| N2 | C8 | C9 | C5 | 179.2° | 180.0° |
| N2 | C8 | C9 | H6 | 57.6° | 58.1° |
| N2 | C8 | C9 | H7 | 59.3° | 58.1° |
| C8 | N2 | C10 | H8 | 88.8° | 113.8° |
| C8 | N2 | C10 | H9 | 31.1° | 6.6° |
| C8 | N2 | C14 | H16 | 46.3° | 113.8° |
| C10 | N2 | C8 | N1 | 173.5° | 174.2° |
| C10 | N2 | C8 | C9 | 7.9° | 5.8° |
| N2 | C10 | C11 | H8 | 120.0° | 119.8° |
| N2 | C10 | C11 | H9 | 120.1° | 119.9° |
| N2 | C10 | H8 | H9 | 119.9° | 120.4° |
| N2 | C10 | C11 | H10 | 58.2° | 65.3° |
| N2 | C10 | C11 | H11 | 178.3° | 174.7° |
| C10 | N2 | C14 | H16 | 161.2° | 66.2° |
| C8 | N1 | C7 | O1 | 178.3° | 179.7° |
| C8 | N1 | C7 | C6 | 0.4° | 0.0° |
| N1 | C8 | C9 | C5 | 2.2° | 0.0° |
| N1 | C8 | C9 | H6 | 123.8° | 121.9° |
| N1 | C8 | C9 | H7 | 119.3° | 121.9° |
| N1 | C7 | O1 | C6 | 178.8° | 179.7° |
| C7 | N1 | C8 | C9 | 1.5° | 0.0° |
| N1 | C7 | C6 | C5 | 0.1° | 0.0° |
| N1 | C7 | C6 | H17 | 179.9° | 180.0° |
| C | C1 | N | C5 | 69.9° | 9.8° |
| C | C1 | N | C2 | 123.0° | 119.7° |
| C | C1 | N | H1 | 117.8° | 120.5° |
| C | C1 | C2 | H1 | 119.3° | 120.6° |
| C | C1 | N | C4 | 80.8° | 170.3° |
| C | C1 | C2 | O | 71.5° | 172.0° |
| C | C1 | C2 | H2 | 49.0° | 52.1° |
| C | C1 | C2 | H3 | 168.0° | 68.0° |
| C1 | C | H18 | H19 | 120.0° | 120.0° |
| C1 | C | H18 | H20 | 120.0° | 120.0° |
| C1 | C | H19 | H20 | 120.0° | 120.0° |
| O1 | C7 | C6 | C5 | 178.7° | 179.6° |
| O1 | C7 | C6 | H17 | 1.3° | 0.3° |
| C8 | C9 | C5 | H6 | 121.5° | 121.9° |
| C8 | C9 | C5 | H7 | 121.5° | 121.9° |
| C8 | C9 | C5 | C6 | 1.9° | 0.0° |
| C8 | C9 | C5 | N | 178.9° | 180.0° |
| C8 | C9 | H6 | H7 | 115.1° | 116.3° |
| C11 | C10 | H8 | H9 | 119.9° | 120.3° |
| C10 | C11 | H10 | H11 | 120.1° | 120.0° |
| C10 | C11 | C12 | H12 | 177.6° | 178.6° |
| C10 | C11 | C12 | H13 | 62.1° | 58.7° |
| C7 | C6 | C5 | C9 | 0.8° | 0.1° |
| C7 | C6 | C5 | H17 | 180.0° | 179.9° |
| C7 | C6 | C5 | N | 179.9° | 180.0° |
| C9 | C5 | C6 | N | 179.3° | 179.9° |
| C9 | C5 | N | C1 | 153.6° | 114.7° |
| C9 | C5 | N | C4 | 3.2° | 65.4° |
| C5 | C9 | H6 | H7 | 115.1° | 116.4° |
| C9 | C5 | C6 | H17 | 179.2° | 180.0° |
| C6 | C5 | N | C1 | 25.7° | 65.3° |
| C6 | C5 | N | C4 | 176.0° | 114.7° |
| C6 | C5 | C9 | H6 | 123.4° | 121.9° |
| C6 | C5 | C9 | H7 | 119.7° | 121.8° |
| C5 | N | C1 | C4 | 150.7° | 180.0° |
| C5 | N | C1 | C2 | 167.1° | 129.5° |
| C5 | N | C4 | C3 | 162.9° | 129.5° |
| C5 | N | C1 | H1 | 47.9° | 110.8° |
| N | C5 | C9 | H6 | 57.3° | 58.1° |
| N | C5 | C9 | H7 | 59.6° | 58.1° |
| N | C5 | C6 | H17 | 0.1° | 0.1° |
| C5 | N | C4 | H21 | 42.7° | 9.8° |
| C5 | N | C4 | H22 | 76.9° | 110.8° |
| N | C1 | C2 | H1 | 119.7° | 119.7° |
| C1 | N | C4 | C3 | 45.7° | 50.5° |
| N | C1 | C2 | O | 49.5° | 52.3° |
| N | C1 | C2 | H2 | 170.0° | 67.6° |
| N | C1 | C2 | H3 | 71.0° | 172.3° |
| N | C1 | C | H18 | 180.0° | 57.6° |
| N | C1 | C | H19 | 60.0° | 177.6° |
| N | C1 | C | H20 | 60.0° | 62.4° |
| C1 | N | C4 | H21 | 165.9° | 170.3° |
| C1 | N | C4 | H22 | 74.5° | 69.2° |
| C2 | C1 | N | C4 | 42.2° | 50.6° |
| C1 | C2 | O | H2 | 120.5° | 119.9° |
| C1 | C2 | O | H3 | 120.4° | 119.9° |
| C1 | C2 | O | C3 | 62.1° | 62.6° |
| C1 | C2 | H2 | H3 | 118.6° | 120.1° |
| C2 | C1 | C | H18 | 57.7° | 176.5° |
| C2 | C1 | C | H19 | 62.3° | 63.5° |
| C2 | C1 | C | H20 | 177.7° | 56.5° |
| N | C4 | C3 | H21 | 120.2° | 119.8° |
| N | C4 | C3 | H22 | 120.2° | 119.7° |
| N | C4 | C3 | O | 55.7° | 52.3° |
| C4 | N | C1 | H1 | 161.4° | 69.2° |
| N | C4 | C3 | H4 | 64.3° | 172.3° |
| N | C4 | C3 | H5 | 175.8° | 67.7° |
| N | C4 | H21 | H22 | 119.4° | 120.6° |
| C4 | C3 | O | C2 | 64.4° | 62.5° |
| C4 | C3 | O | H4 | 120.1° | 120.0° |
| C4 | C3 | O | H5 | 120.1° | 119.9° |
| C4 | C3 | H4 | H5 | 119.8° | 120.1° |
| C3 | C4 | H21 | H22 | 119.4° | 120.5° |
| O | C2 | C1 | H1 | 169.2° | 67.4° |
| O | C2 | H2 | H3 | 118.6° | 120.1° |
| C2 | O | C3 | H4 | 55.7° | 177.5° |
| C2 | O | C3 | H5 | 175.5° | 57.4° |
| C3 | O | C2 | H2 | 177.4° | 57.4° |
| C3 | O | C2 | H3 | 58.3° | 177.5° |
| O | C3 | H4 | H5 | 119.8° | 120.1° |
| O | C3 | C4 | H21 | 176.0° | 172.0° |
| O | C3 | C4 | H22 | 64.4° | 67.5° |
| H1 | C1 | C2 | H2 | 70.4° | 172.7° |
| H1 | C1 | C2 | H3 | 48.7° | 52.6° |
| H1 | C1 | C | H18 | 61.6° | 62.9° |
| H1 | C1 | C | H19 | 178.4° | 57.1° |
| H1 | C1 | C | H20 | 58.4° | 177.1° |
| H4 | C3 | C4 | H21 | 55.9° | 68.0° |
| H4 | C3 | C4 | H22 | 175.5° | 52.5° |
| H5 | C3 | C4 | H21 | 64.0° | 52.1° |
| H5 | C3 | C4 | H22 | 55.6° | 172.6° |
| H8 | C10 | C11 | H10 | 178.2° | 174.9° |
| H8 | C10 | C11 | H11 | 61.7° | 54.9° |
| H9 | C10 | C11 | H10 | 61.8° | 54.6° |
| H9 | C10 | C11 | H11 | 58.2° | 65.4° |
| H10 | C11 | C12 | H12 | 57.7° | 61.5° |
| H10 | C11 | C12 | H13 | 178.0° | 178.6° |
| H11 | C11 | C12 | H12 | 62.4° | 58.6° |
| H11 | C11 | C12 | H13 | 57.9° | 61.3° |
| H12 | C12 | C13 | H14 | 48.4° | 61.4° |
| H12 | C12 | C13 | H15 | 69.4° | 58.6° |
| H13 | C12 | C13 | H14 | 168.7° | 178.6° |
| H13 | C12 | C13 | H15 | 50.9° | 61.4° |
| H14 | C13 | C14 | H16 | 37.4° | 174.9° |
| H15 | C13 | C14 | H16 | 80.4° | 54.8° |
| H18 | C | H19 | H20 | 120.0° | 120.0° |
