A1IFS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N | sing | 1.47Å | 1.45Å | |
| N | C1 | sing | 1.35Å | 1.33Å | |
| C4 | C5 | sing | 1.55Å | 1.51Å | |
| C4 | C3 | sing | 1.55Å | 1.51Å | |
| O1 | S | doub | 1.42Å | 1.44Å | |
| C5 | N1 | sing | 1.48Å | 1.47Å | |
| C1 | O | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C15 | S | sing | 1.83Å | 1.75Å | |
| C15 | C14 | sing | 1.54Å | 1.52Å | |
| C3 | C2 | sing | 1.54Å | 1.54Å | |
| S | O2 | doub | 1.42Å | 1.44Å | |
| S | C16 | sing | 1.83Å | 1.79Å | |
| N1 | C2 | sing | 1.47Å | 1.47Å | |
| N1 | C6 | sing | 1.38Å | 1.38Å | |
| N2 | C6 | doub | 1.33Å | 1.35Å | Aromatic |
| N2 | C7 | sing | 1.33Å | 1.35Å | Aromatic |
| C6 | N3 | sing | 1.32Å | 1.35Å | Aromatic |
| C14 | C13 | sing | 1.54Å | 1.53Å | |
| C8 | C7 | sing | 1.51Å | 1.50Å | |
| C7 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C13 | sing | 1.55Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| N3 | C10 | doub | 1.33Å | 1.34Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | N4 | sing | 1.39Å | 1.46Å | |
| C12 | N4 | sing | 1.47Å | 1.46Å | |
| N4 | C11 | sing | 1.46Å | 1.46Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C5 | H20 | sing | 1.09Å | 1.10Å | |
| C5 | H21 | sing | 1.09Å | 1.10Å | |
| C4 | H22 | sing | 1.09Å | 1.10Å | |
| C4 | H23 | sing | 1.09Å | 1.10Å | |
| N | H24 | sing | 0.97Å | 1.00Å | |
| C | H25 | sing | 1.09Å | 1.10Å | |
| C | H26 | sing | 1.09Å | 1.10Å | |
| C | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N | C1 | 121.9° | 120.0° |
| C | N | H24 | 119.1° | 120.0° |
| N | C | H25 | 109.5° | 109.5° |
| N | C | H26 | 109.5° | 109.4° |
| N | C | H27 | 109.5° | 109.5° |
| N | C1 | O | 123.0° | 120.0° |
| N | C1 | C2 | 117.1° | 120.0° |
| C1 | N | H24 | 119.1° | 120.0° |
| C5 | C4 | C3 | 103.6° | 101.6° |
| C4 | C5 | N1 | 104.0° | 104.7° |
| C4 | C5 | H20 | 110.8° | 110.2° |
| C4 | C5 | H21 | 110.8° | 110.6° |
| C5 | C4 | H22 | 110.9° | 111.0° |
| C5 | C4 | H23 | 110.9° | 111.0° |
| C4 | C3 | C2 | 103.8° | 103.0° |
| C4 | C3 | H2 | 110.9° | 110.7° |
| C4 | C3 | H3 | 110.9° | 110.9° |
| C3 | C4 | H22 | 110.9° | 110.9° |
| C3 | C4 | H23 | 110.9° | 111.1° |
| O1 | S | C15 | 109.7° | 109.3° |
| O1 | S | O2 | 117.8° | 119.9° |
| O1 | S | C16 | 110.4° | 109.4° |
| C5 | N1 | C2 | 111.3° | 108.6° |
| C5 | N1 | C6 | 123.3° | 110.9° |
| N1 | C5 | H20 | 110.8° | 110.4° |
| N1 | C5 | H21 | 110.8° | 110.3° |
| O | C1 | C2 | 119.9° | 120.0° |
| C1 | C2 | C3 | 111.6° | 109.9° |
| C1 | C2 | N1 | 114.6° | 109.9° |
| C1 | C2 | H1 | 108.8° | 109.9° |
| S | C15 | C14 | 104.1° | 105.1° |
| C15 | S | O2 | 109.9° | 109.3° |
| C15 | S | C16 | 96.9° | 97.0° |
| S | C15 | H16 | 110.8° | 110.3° |
| S | C15 | H17 | 110.8° | 110.4° |
| C15 | C14 | C13 | 106.9° | 108.7° |
| C15 | C14 | H14 | 110.1° | 109.6° |
| C15 | C14 | H15 | 110.1° | 109.5° |
| C14 | C15 | H16 | 110.8° | 110.3° |
| C14 | C15 | H17 | 110.8° | 110.3° |
| C3 | C2 | N1 | 103.4° | 107.4° |
| C3 | C2 | H1 | 108.6° | 109.9° |
| C2 | C3 | H2 | 110.8° | 110.7° |
| C2 | C3 | H3 | 110.9° | 110.7° |
| O2 | S | C16 | 110.1° | 109.4° |
| S | C16 | C13 | 106.3° | 102.6° |
| S | C16 | H18 | 110.3° | 110.7° |
| S | C16 | H19 | 110.3° | 111.0° |
| C2 | N1 | C6 | 125.2° | 111.0° |
| N1 | C2 | H1 | 109.5° | 109.9° |
| N1 | C6 | N2 | 119.3° | 119.2° |
| N1 | C6 | N3 | 113.9° | 119.2° |
| C6 | N2 | C7 | 115.4° | 120.9° |
| N2 | C6 | N3 | 126.7° | 121.6° |
| N2 | C7 | C8 | 116.5° | 120.4° |
| N2 | C7 | C9 | 121.8° | 119.3° |
| C6 | N3 | C10 | 116.5° | 120.7° |
| C14 | C13 | C16 | 105.8° | 106.7° |
| C14 | C13 | C12 | 112.8° | 109.9° |
| C14 | C13 | H13 | 108.7° | 110.0° |
| C13 | C14 | H14 | 110.1° | 109.7° |
| C13 | C14 | H15 | 110.1° | 109.7° |
| C8 | C7 | C9 | 121.5° | 120.3° |
| C7 | C8 | H4 | 109.5° | 109.5° |
| C7 | C8 | H5 | 109.5° | 109.5° |
| C7 | C8 | H6 | 109.5° | 109.5° |
| C7 | C9 | C10 | 118.4° | 118.5° |
| C7 | C9 | H7 | 120.8° | 120.8° |
| C16 | C13 | C12 | 112.1° | 110.0° |
| C16 | C13 | H13 | 108.6° | 110.0° |
| C13 | C16 | H18 | 110.2° | 110.8° |
| C13 | C16 | H19 | 110.3° | 110.8° |
| C13 | C12 | N4 | 113.7° | 109.4° |
| C13 | C12 | H11 | 108.4° | 109.5° |
| C13 | C12 | H12 | 108.4° | 109.5° |
| C12 | C13 | H13 | 108.7° | 110.0° |
| N3 | C10 | C9 | 121.1° | 119.0° |
| N3 | C10 | N4 | 117.0° | 120.6° |
| C9 | C10 | N4 | 121.9° | 120.5° |
| C10 | C9 | H7 | 120.8° | 120.7° |
| C10 | N4 | C12 | 122.3° | 120.0° |
| C10 | N4 | C11 | 119.6° | 120.0° |
| C12 | N4 | C11 | 118.0° | 120.0° |
| N4 | C12 | H11 | 108.4° | 109.5° |
| N4 | C12 | H12 | 108.4° | 109.4° |
| N4 | C11 | H8 | 109.5° | 109.5° |
| N4 | C11 | H9 | 109.5° | 109.5° |
| N4 | C11 | H10 | 109.5° | 109.5° |
| H2 | C3 | H3 | 109.5° | 110.6° |
| H4 | C8 | H5 | 109.4° | 109.4° |
| H4 | C8 | H6 | 109.5° | 109.5° |
| H5 | C8 | H6 | 109.5° | 109.4° |
| H8 | C11 | H9 | 109.5° | 109.4° |
| H8 | C11 | H10 | 109.4° | 109.4° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.5° |
| H14 | C14 | H15 | 109.5° | 109.7° |
| H16 | C15 | H17 | 109.4° | 110.4° |
| H18 | C16 | H19 | 109.5° | 110.7° |
| H20 | C5 | H21 | 109.4° | 110.4° |
| H22 | C4 | H23 | 109.4° | 110.9° |
| H25 | C | H26 | 109.5° | 109.5° |
| H25 | C | H27 | 109.5° | 109.6° |
| H26 | C | H27 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N | C1 | H24 | 180.0° | 180.0° |
| C | N | C1 | O | 7.9° | 0.0° |
| C | N | C1 | C2 | 171.0° | 179.7° |
| N | C | H25 | H26 | 120.0° | 119.9° |
| N | C | H25 | H27 | 120.0° | 120.1° |
| N | C | H26 | H27 | 120.0° | 120.0° |
| N | C1 | O | C2 | 178.9° | 179.7° |
| N | C1 | C2 | C3 | 87.1° | 62.0° |
| N | C1 | C2 | N1 | 30.1° | 179.9° |
| N | C1 | C2 | H1 | 153.0° | 59.0° |
| C1 | N | C | H25 | 180.0° | 180.0° |
| C1 | N | C | H26 | 60.0° | 60.0° |
| C1 | N | C | H27 | 60.0° | 59.9° |
| C5 | C4 | C3 | H22 | 119.1° | 118.1° |
| C5 | C4 | C3 | H23 | 119.1° | 118.1° |
| C4 | C5 | N1 | H20 | 119.1° | 118.6° |
| C4 | C5 | N1 | H21 | 119.1° | 119.0° |
| C5 | C4 | C3 | C2 | 37.6° | 35.6° |
| C4 | C5 | N1 | C2 | 14.0° | 24.0° |
| C4 | C5 | N1 | C6 | 171.4° | 146.2° |
| C5 | C4 | C3 | H2 | 81.5° | 154.0° |
| C5 | C4 | C3 | H3 | 156.6° | 82.9° |
| C4 | C5 | H20 | H21 | 122.5° | 122.5° |
| C5 | C4 | H22 | H23 | 122.7° | 123.8° |
| C3 | C4 | C5 | N1 | 31.7° | 37.0° |
| C4 | C3 | C2 | C1 | 95.0° | 97.1° |
| C4 | C3 | C2 | H2 | 119.1° | 118.4° |
| C4 | C3 | C2 | H3 | 119.1° | 118.6° |
| C4 | C3 | C2 | N1 | 28.7° | 22.4° |
| C4 | C3 | C2 | H1 | 145.1° | 141.8° |
| C4 | C3 | H2 | H3 | 122.7° | 123.3° |
| C3 | C4 | C5 | H20 | 150.8° | 81.8° |
| C3 | C4 | C5 | H21 | 87.4° | 155.8° |
| C3 | C4 | H22 | H23 | 122.7° | 123.9° |
| O1 | S | C15 | O2 | 131.0° | 133.1° |
| O1 | S | C15 | C16 | 114.6° | 113.5° |
| O1 | S | C15 | C14 | 137.5° | 115.7° |
| O1 | S | O2 | C16 | 127.7° | 127.5° |
| O1 | S | C16 | C13 | 111.1° | 90.3° |
| O1 | S | C15 | H16 | 103.4° | 3.2° |
| O1 | S | C15 | H17 | 18.3° | 125.5° |
| O1 | S | C16 | H18 | 8.4° | 151.5° |
| O1 | S | C16 | H19 | 129.4° | 28.1° |
| C5 | N1 | C2 | C1 | 112.6° | 120.5° |
| C5 | N1 | C2 | C3 | 9.1° | 0.9° |
| C5 | N1 | C2 | C6 | 174.5° | 122.2° |
| C5 | N1 | C6 | N2 | 7.9° | 120.8° |
| C5 | N1 | C6 | N3 | 174.1° | 58.7° |
| C5 | N1 | C2 | H1 | 124.8° | 118.5° |
| N1 | C5 | H20 | H21 | 122.5° | 122.3° |
| N1 | C5 | C4 | H22 | 150.8° | 81.0° |
| N1 | C5 | C4 | H23 | 87.4° | 155.2° |
| O | C1 | C2 | C3 | 91.8° | 118.3° |
| O | C1 | C2 | N1 | 151.0° | 0.3° |
| O | C1 | C2 | H1 | 28.0° | 120.7° |
| O | C1 | N | H24 | 172.1° | 180.0° |
| C1 | C2 | C3 | N1 | 123.7° | 119.5° |
| C1 | C2 | C3 | H1 | 119.9° | 121.0° |
| C1 | C2 | N1 | H1 | 122.5° | 121.0° |
| C1 | C2 | N1 | C6 | 72.9° | 117.3° |
| C1 | C2 | C3 | H2 | 145.9° | 21.3° |
| C1 | C2 | C3 | H3 | 24.1° | 144.3° |
| C2 | C1 | N | H24 | 9.0° | 0.3° |
| S | C15 | C14 | H16 | 119.1° | 118.9° |
| S | C15 | C14 | H17 | 119.2° | 118.9° |
| C15 | S | O2 | C16 | 105.6° | 105.1° |
| S | C15 | C14 | C13 | 43.0° | 27.9° |
| C15 | S | C16 | C13 | 3.0° | 23.2° |
| S | C15 | C14 | H14 | 76.6° | 147.7° |
| S | C15 | C14 | H15 | 162.5° | 91.9° |
| S | C15 | H16 | H17 | 122.5° | 122.2° |
| C15 | S | C16 | H18 | 122.5° | 95.1° |
| C15 | S | C16 | H19 | 116.5° | 141.5° |
| C14 | C15 | S | O2 | 91.5° | 111.3° |
| C14 | C15 | S | C16 | 22.8° | 2.2° |
| C15 | C14 | C13 | H14 | 119.6° | 119.8° |
| C15 | C14 | C13 | H15 | 119.6° | 119.7° |
| C15 | C14 | C13 | C16 | 46.3° | 47.2° |
| C15 | C14 | C13 | C12 | 169.2° | 166.5° |
| C15 | C14 | C13 | H13 | 70.2° | 72.2° |
| C15 | C14 | H14 | H15 | 121.2° | 120.3° |
| C14 | C15 | H16 | H17 | 122.5° | 122.1° |
| C3 | C2 | N1 | H1 | 115.7° | 119.5° |
| C3 | C2 | N1 | C6 | 165.3° | 123.1° |
| C2 | C3 | H2 | H3 | 122.6° | 123.1° |
| C2 | C3 | C4 | H22 | 156.6° | 82.5° |
| C2 | C3 | C4 | H23 | 81.5° | 153.7° |
| O2 | S | C16 | C13 | 117.2° | 136.6° |
| O2 | S | C15 | H16 | 27.7° | 129.8° |
| O2 | S | C15 | H17 | 149.3° | 7.6° |
| O2 | S | C16 | H18 | 123.3° | 18.3° |
| O2 | S | C16 | H19 | 2.3° | 105.0° |
| S | C16 | C13 | C14 | 28.0° | 42.4° |
| S | C16 | C13 | H18 | 119.5° | 118.2° |
| S | C16 | C13 | H19 | 119.5° | 118.5° |
| S | C16 | C13 | C12 | 151.4° | 161.6° |
| S | C16 | C13 | H13 | 88.5° | 76.9° |
| C16 | S | C15 | H16 | 142.0° | 116.7° |
| C16 | S | C15 | H17 | 96.3° | 121.0° |
| S | C16 | H18 | H19 | 121.5° | 123.5° |
| C2 | N1 | C6 | N2 | 178.2° | 0.0° |
| C2 | N1 | C6 | N3 | 0.2° | 179.5° |
| N1 | C2 | C3 | H2 | 90.4° | 140.8° |
| N1 | C2 | C3 | H3 | 147.8° | 96.2° |
| C2 | N1 | C5 | H20 | 133.1° | 94.7° |
| C2 | N1 | C5 | H21 | 105.2° | 143.0° |
| N1 | C6 | N2 | N3 | 177.7° | 179.5° |
| N1 | C6 | N2 | C7 | 178.9° | 179.9° |
| N1 | C6 | N3 | C10 | 177.8° | 179.7° |
| C6 | N1 | C2 | H1 | 49.6° | 3.7° |
| C6 | N1 | C5 | H20 | 52.3° | 27.6° |
| C6 | N1 | C5 | H21 | 69.5° | 94.8° |
| C6 | N2 | C7 | C8 | 179.4° | 179.7° |
| C6 | N2 | C7 | C9 | 4.6° | 0.1° |
| N2 | C6 | N3 | C10 | 0.1° | 0.8° |
| C7 | N2 | C6 | N3 | 3.3° | 0.6° |
| N2 | C7 | C8 | C9 | 174.8° | 179.8° |
| N2 | C7 | C9 | C10 | 2.7° | 0.3° |
| N2 | C7 | C8 | H4 | 0.0° | 90.2° |
| N2 | C7 | C8 | H5 | 120.0° | 29.8° |
| N2 | C7 | C8 | H6 | 120.0° | 149.7° |
| N2 | C7 | C9 | H7 | 177.3° | 179.8° |
| C6 | N3 | C10 | C9 | 2.2° | 0.5° |
| C6 | N3 | C10 | N4 | 179.4° | 179.5° |
| C14 | C13 | C16 | C12 | 123.3° | 119.2° |
| C14 | C13 | C16 | H13 | 116.5° | 119.4° |
| C14 | C13 | C12 | H13 | 120.6° | 121.4° |
| C14 | C13 | C12 | N4 | 55.8° | 175.7° |
| C14 | C13 | C12 | H11 | 176.4° | 64.3° |
| C14 | C13 | C12 | H12 | 64.8° | 55.7° |
| C13 | C14 | H14 | H15 | 121.2° | 120.5° |
| C13 | C14 | C15 | H16 | 162.1° | 91.0° |
| C13 | C14 | C15 | H17 | 76.2° | 146.8° |
| C14 | C13 | C16 | H18 | 147.5° | 75.8° |
| C14 | C13 | C16 | H19 | 91.5° | 160.9° |
| C8 | C7 | C9 | C10 | 177.2° | 180.0° |
| C7 | C8 | H4 | H5 | 120.0° | 120.0° |
| C7 | C8 | H4 | H6 | 120.0° | 120.1° |
| C7 | C8 | H5 | H6 | 120.0° | 120.0° |
| C8 | C7 | C9 | H7 | 2.8° | 0.0° |
| C7 | C9 | C10 | N3 | 1.0° | 0.0° |
| C7 | C9 | C10 | H7 | 180.0° | 179.9° |
| C7 | C9 | C10 | N4 | 179.3° | 180.0° |
| C9 | C7 | C8 | H4 | 174.8° | 90.0° |
| C9 | C7 | C8 | H5 | 65.2° | 150.0° |
| C9 | C7 | C8 | H6 | 54.8° | 30.1° |
| C16 | C13 | C12 | H13 | 120.1° | 121.4° |
| C16 | C13 | C12 | N4 | 175.1° | 67.1° |
| C16 | C13 | C12 | H11 | 64.3° | 52.9° |
| C16 | C13 | C12 | H12 | 54.5° | 173.0° |
| C16 | C13 | C14 | H14 | 73.3° | 167.0° |
| C16 | C13 | C14 | H15 | 165.9° | 72.5° |
| C13 | C16 | H18 | H19 | 121.5° | 123.4° |
| C13 | C12 | N4 | C10 | 62.9° | 90.0° |
| C13 | C12 | N4 | H11 | 120.6° | 120.0° |
| C13 | C12 | N4 | H12 | 120.6° | 120.0° |
| C13 | C12 | N4 | C11 | 113.7° | 90.0° |
| C13 | C12 | H11 | H12 | 118.1° | 120.1° |
| C12 | C13 | C14 | H14 | 49.6° | 73.7° |
| C12 | C13 | C14 | H15 | 71.2° | 46.8° |
| C12 | C13 | C16 | H18 | 89.1° | 43.5° |
| C12 | C13 | C16 | H19 | 31.9° | 79.8° |
| N3 | C10 | C9 | N4 | 178.3° | 179.9° |
| N3 | C10 | N4 | C12 | 16.1° | 174.9° |
| N3 | C10 | N4 | C11 | 167.3° | 5.0° |
| N3 | C10 | C9 | H7 | 179.0° | 180.0° |
| C9 | C10 | N4 | C12 | 165.5° | 5.0° |
| C9 | C10 | N4 | C11 | 11.1° | 175.0° |
| C10 | N4 | C12 | C11 | 176.6° | 180.0° |
| N4 | C10 | C9 | H7 | 0.7° | 0.1° |
| C10 | N4 | C11 | H8 | 180.0° | 90.0° |
| C10 | N4 | C11 | H9 | 60.0° | 150.0° |
| C10 | N4 | C11 | H10 | 60.0° | 30.0° |
| C10 | N4 | C12 | H11 | 57.7° | 30.0° |
| C10 | N4 | C12 | H12 | 176.4° | 150.0° |
| C12 | N4 | C11 | H8 | 3.3° | 90.0° |
| C12 | N4 | C11 | H9 | 116.7° | 30.0° |
| C12 | N4 | C11 | H10 | 123.3° | 150.0° |
| N4 | C12 | H11 | H12 | 118.1° | 119.9° |
| N4 | C12 | C13 | H13 | 64.8° | 54.3° |
| N4 | C11 | H8 | H9 | 120.0° | 120.0° |
| N4 | C11 | H8 | H10 | 120.0° | 120.1° |
| N4 | C11 | H9 | H10 | 120.0° | 120.1° |
| C11 | N4 | C12 | H11 | 125.7° | 150.0° |
| C11 | N4 | C12 | H12 | 6.9° | 30.0° |
| H1 | C2 | C3 | H2 | 26.0° | 99.8° |
| H1 | C2 | C3 | H3 | 95.9° | 23.2° |
| H2 | C3 | C4 | H22 | 37.6° | 35.9° |
| H2 | C3 | C4 | H23 | 159.4° | 87.9° |
| H3 | C3 | C4 | H22 | 84.3° | 159.0° |
| H3 | C3 | C4 | H23 | 37.6° | 35.2° |
| H4 | C8 | H5 | H6 | 120.0° | 120.0° |
| H8 | C11 | H9 | H10 | 119.9° | 119.9° |
| H11 | C12 | C13 | H13 | 55.8° | 174.3° |
| H12 | C12 | C13 | H13 | 174.6° | 65.6° |
| H13 | C13 | C14 | H14 | 170.2° | 47.6° |
| H13 | C13 | C14 | H15 | 49.4° | 168.1° |
| H13 | C13 | C16 | H18 | 31.0° | 164.9° |
| H13 | C13 | C16 | H19 | 152.0° | 41.6° |
| H14 | C14 | C15 | H16 | 42.5° | 28.8° |
| H14 | C14 | C15 | H17 | 164.2° | 93.4° |
| H15 | C14 | C15 | H16 | 78.3° | 149.2° |
| H15 | C14 | C15 | H17 | 43.4° | 27.0° |
| H20 | C5 | C4 | H22 | 90.1° | 160.2° |
| H20 | C5 | C4 | H23 | 31.8° | 36.5° |
| H21 | C5 | C4 | H22 | 31.6° | 37.8° |
| H21 | C5 | C4 | H23 | 153.5° | 86.0° |
| H24 | N | C | H25 | 0.0° | 0.1° |
| H24 | N | C | H26 | 120.0° | 120.0° |
| H24 | N | C | H27 | 120.0° | 120.0° |
| H25 | C | H26 | H27 | 120.0° | 120.1° |
