A1AK3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | C3 | sing | 1.53Å | 1.54Å | |
| C4 | C3 | sing | 1.51Å | 1.52Å | |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | S | sing | 1.77Å | 1.74Å | |
| S | C7 | sing | 1.82Å | 1.75Å | |
| C7 | C8 | sing | 1.54Å | 1.52Å | |
| C8 | C9 | sing | 1.52Å | 1.53Å | |
| O | S | doub | 1.42Å | 1.43Å | |
| O1 | S | doub | 1.42Å | 1.45Å | |
| C6 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.50Å | 1.51Å | |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | N | sing | 1.46Å | 1.46Å | |
| N | C13 | sing | 1.38Å | 1.34Å | |
| C13 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| N1 | C14 | sing | 1.32Å | 1.34Å | Aromatic |
| C14 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| N2 | C15 | sing | 1.33Å | 1.35Å | Aromatic |
| C15 | C16 | doub | 1.41Å | 1.40Å | Aromatic |
| C13 | C16 | sing | 1.41Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.41Å | 1.43Å | Aromatic |
| C17 | C18 | doub | 1.36Å | 1.37Å | Aromatic |
| C18 | C19 | sing | 1.47Å | 1.49Å | |
| N3 | C19 | sing | 1.35Å | 1.34Å | |
| C20 | N3 | sing | 1.46Å | 1.46Å | |
| C20 | C21 | sing | 1.54Å | 1.53Å | |
| C21 | N4 | sing | 1.47Å | 1.48Å | |
| C22 | N4 | sing | 1.47Å | 1.48Å | |
| N4 | C23 | sing | 1.48Å | 1.47Å | |
| C23 | C24 | sing | 1.55Å | 1.52Å | |
| C24 | C20 | sing | 1.55Å | 1.54Å | |
| C19 | O2 | doub | 1.22Å | 1.23Å | |
| N5 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | N5 | sing | 1.37Å | 1.38Å | Aromatic |
| N3 | H22 | sing | 0.97Å | 1.00Å | |
| C5 | H10 | sing | 1.08Å | 1.08Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | H1 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| N5 | H2 | sing | 0.97Å | 1.00Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| N | H19 | sing | 0.97Å | 1.00Å | |
| C3 | H | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C11 | H17 | sing | 1.08Å | 1.08Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 109.2° | 109.5° |
| C | C1 | C3 | 111.9° | 109.5° |
| C | C1 | H6 | 108.3° | 109.4° |
| C1 | C | H3 | 109.5° | 109.4° |
| C1 | C | H4 | 109.5° | 109.5° |
| C1 | C | H5 | 109.4° | 109.4° |
| C2 | C1 | C3 | 110.9° | 109.5° |
| C2 | C1 | H6 | 108.4° | 109.5° |
| C1 | C2 | H7 | 109.5° | 109.5° |
| C1 | C2 | H9 | 109.4° | 109.5° |
| C1 | C2 | H8 | 109.5° | 109.5° |
| C1 | C3 | C4 | 112.8° | 109.4° |
| C1 | C3 | N | 109.5° | 109.5° |
| C1 | C3 | H | 106.8° | 109.5° |
| C3 | C1 | H6 | 108.1° | 109.5° |
| C3 | C4 | C5 | 121.5° | 120.3° |
| C3 | C4 | C12 | 120.2° | 120.3° |
| C4 | C3 | N | 112.4° | 109.5° |
| C4 | C3 | H | 107.1° | 109.4° |
| C4 | C5 | C6 | 120.4° | 120.7° |
| C5 | C4 | C12 | 118.2° | 119.4° |
| C4 | C5 | H10 | 119.8° | 119.6° |
| C5 | C6 | S | 116.7° | 117.9° |
| C5 | C6 | C10 | 121.6° | 120.2° |
| C6 | C5 | H10 | 119.8° | 119.7° |
| C6 | S | C7 | 105.3° | 103.7° |
| C6 | S | O | 108.6° | 104.4° |
| C6 | S | O1 | 107.1° | 104.4° |
| S | C6 | C10 | 121.5° | 121.9° |
| S | C7 | C8 | 110.5° | 107.0° |
| C7 | S | O | 108.8° | 110.6° |
| C7 | S | O1 | 109.3° | 110.7° |
| S | C7 | H12 | 109.2° | 109.9° |
| S | C7 | H11 | 109.2° | 110.0° |
| C7 | C8 | C9 | 111.6° | 109.1° |
| C8 | C7 | H12 | 109.2° | 109.9° |
| C8 | C7 | H11 | 109.2° | 110.0° |
| C7 | C8 | H13 | 109.0° | 109.5° |
| C7 | C8 | H14 | 108.9° | 109.5° |
| C8 | C9 | C10 | 112.9° | 113.9° |
| C9 | C8 | H13 | 108.9° | 109.6° |
| C9 | C8 | H14 | 109.0° | 109.5° |
| C8 | C9 | H15 | 108.6° | 108.6° |
| C8 | C9 | H16 | 108.6° | 108.7° |
| O | S | O1 | 117.1° | 121.2° |
| C6 | C10 | C9 | 124.1° | 124.6° |
| C6 | C10 | C11 | 116.8° | 118.8° |
| C9 | C10 | C11 | 119.1° | 116.5° |
| C10 | C9 | H15 | 108.6° | 108.6° |
| C10 | C9 | H16 | 108.6° | 108.6° |
| C10 | C11 | C12 | 121.8° | 120.9° |
| C10 | C11 | H17 | 119.1° | 119.6° |
| C11 | C12 | C4 | 121.1° | 119.9° |
| C11 | C12 | H18 | 119.5° | 120.1° |
| C12 | C11 | H17 | 119.1° | 119.5° |
| C4 | C12 | H18 | 119.4° | 120.0° |
| C3 | N | C13 | 125.9° | 120.0° |
| C3 | N | H19 | 105.2° | 120.0° |
| N | C3 | H | 107.8° | 109.5° |
| N | C13 | N1 | 119.6° | 120.8° |
| N | C13 | C16 | 120.8° | 120.8° |
| C13 | N | H19 | 105.2° | 119.9° |
| C13 | N1 | C14 | 117.6° | 121.1° |
| N1 | C13 | C16 | 119.6° | 118.4° |
| N1 | C14 | N2 | 129.0° | 122.7° |
| N1 | C14 | H20 | 115.5° | 118.6° |
| C14 | N2 | C15 | 112.2° | 120.8° |
| N2 | C14 | H20 | 115.5° | 118.7° |
| N2 | C15 | C16 | 125.6° | 118.6° |
| N2 | C15 | N5 | 126.3° | 134.1° |
| C15 | C16 | C13 | 116.0° | 118.4° |
| C15 | C16 | C17 | 107.2° | 107.1° |
| C16 | C15 | N5 | 108.1° | 107.3° |
| C13 | C16 | C17 | 136.8° | 134.5° |
| C16 | C17 | C18 | 106.9° | 107.6° |
| C16 | C17 | H21 | 126.5° | 126.2° |
| C17 | C18 | C19 | 129.6° | 125.5° |
| C17 | C18 | N5 | 109.1° | 108.9° |
| C18 | C17 | H21 | 126.6° | 126.2° |
| C18 | C19 | N3 | 116.5° | 120.0° |
| C18 | C19 | O2 | 120.6° | 120.0° |
| C19 | C18 | N5 | 121.3° | 125.6° |
| C19 | N3 | C20 | 122.3° | 120.0° |
| N3 | C19 | O2 | 122.9° | 120.0° |
| C19 | N3 | H22 | 118.8° | 120.0° |
| N3 | C20 | C21 | 113.1° | 110.7° |
| N3 | C20 | C24 | 112.2° | 110.7° |
| C20 | N3 | H22 | 118.8° | 120.0° |
| N3 | C20 | H1 | 109.4° | 110.7° |
| C20 | C21 | N4 | 106.0° | 107.3° |
| C21 | C20 | C24 | 105.1° | 103.0° |
| C21 | C20 | H1 | 108.5° | 110.7° |
| C20 | C21 | H24 | 110.4° | 109.9° |
| C20 | C21 | H23 | 110.3° | 109.9° |
| C21 | N4 | C22 | 113.4° | 111.0° |
| C21 | N4 | C23 | 105.5° | 108.6° |
| N4 | C21 | H24 | 110.3° | 109.9° |
| N4 | C21 | H23 | 110.3° | 109.9° |
| C22 | N4 | C23 | 113.0° | 111.0° |
| N4 | C22 | H25 | 109.5° | 109.5° |
| N4 | C22 | H26 | 109.5° | 109.5° |
| N4 | C22 | H27 | 109.5° | 109.5° |
| N4 | C23 | C24 | 103.5° | 104.8° |
| N4 | C23 | H29 | 110.9° | 110.4° |
| N4 | C23 | H28 | 110.9° | 110.5° |
| C23 | C24 | C20 | 103.2° | 101.7° |
| C23 | C24 | H31 | 111.0° | 111.0° |
| C23 | C24 | H30 | 111.0° | 111.0° |
| C24 | C23 | H29 | 111.0° | 110.3° |
| C24 | C23 | H28 | 111.0° | 110.4° |
| C24 | C20 | H1 | 108.4° | 110.9° |
| C20 | C24 | H31 | 111.0° | 111.0° |
| C20 | C24 | H30 | 111.0° | 111.0° |
| C18 | N5 | C15 | 108.7° | 109.0° |
| C18 | N5 | H2 | 125.7° | 125.5° |
| C15 | N5 | H2 | 125.6° | 125.5° |
| H12 | C7 | H11 | 109.5° | 109.9° |
| H13 | C8 | H14 | 109.5° | 109.6° |
| H24 | C21 | H23 | 109.5° | 110.0° |
| H25 | C22 | H26 | 109.5° | 109.4° |
| H25 | C22 | H27 | 109.5° | 109.5° |
| H26 | C22 | H27 | 109.4° | 109.4° |
| H31 | C24 | H30 | 109.5° | 110.9° |
| H29 | C23 | H28 | 109.4° | 110.4° |
| H7 | C2 | H9 | 109.5° | 109.4° |
| H7 | C2 | H8 | 109.4° | 109.5° |
| H9 | C2 | H8 | 109.5° | 109.5° |
| H3 | C | H4 | 109.5° | 109.5° |
| H3 | C | H5 | 109.5° | 109.4° |
| H4 | C | H5 | 109.5° | 109.5° |
| H15 | C9 | H16 | 109.5° | 108.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | C3 | 123.8° | 120.0° |
| C | C1 | C2 | H6 | 117.7° | 119.9° |
| C | C1 | C3 | H6 | 119.1° | 120.0° |
| C | C1 | C3 | C4 | 51.2° | 180.0° |
| C | C1 | C3 | N | 177.2° | 60.0° |
| C | C1 | C3 | H | 66.3° | 60.0° |
| C | C1 | C2 | H7 | 180.0° | 60.0° |
| C | C1 | C2 | H9 | 60.0° | 60.0° |
| C | C1 | C2 | H8 | 60.0° | 180.0° |
| C1 | C | H3 | H4 | 120.0° | 120.1° |
| C1 | C | H3 | H5 | 120.0° | 119.9° |
| C1 | C | H4 | H5 | 120.0° | 120.0° |
| C2 | C1 | C3 | H6 | 118.6° | 120.0° |
| C2 | C1 | C3 | C4 | 173.4° | 60.0° |
| C2 | C1 | C3 | N | 60.5° | 180.0° |
| C2 | C1 | C3 | H | 56.0° | 60.0° |
| C1 | C2 | H7 | H9 | 120.0° | 120.0° |
| C1 | C2 | H7 | H8 | 120.0° | 120.0° |
| C1 | C2 | H9 | H8 | 120.0° | 120.0° |
| C2 | C1 | C | H3 | 180.0° | 180.0° |
| C2 | C1 | C | H4 | 60.0° | 60.0° |
| C2 | C1 | C | H5 | 60.0° | 60.0° |
| C1 | C3 | C4 | N | 124.5° | 120.0° |
| C1 | C3 | C4 | H | 117.3° | 120.0° |
| C1 | C3 | C4 | C5 | 65.9° | 100.0° |
| C1 | C3 | C4 | C12 | 117.4° | 80.3° |
| C1 | C3 | N | H | 115.9° | 120.1° |
| C1 | C3 | N | C13 | 139.6° | 85.0° |
| C1 | C3 | N | H19 | 98.2° | 95.0° |
| C3 | C1 | C2 | H7 | 56.2° | 60.0° |
| C3 | C1 | C2 | H9 | 176.2° | 180.0° |
| C3 | C1 | C2 | H8 | 63.8° | 60.0° |
| C3 | C1 | C | H3 | 56.9° | 59.9° |
| C3 | C1 | C | H4 | 63.1° | 180.0° |
| C3 | C1 | C | H5 | 176.9° | 60.0° |
| C3 | C4 | C5 | C12 | 176.8° | 179.7° |
| C3 | C4 | C5 | C6 | 176.5° | 179.7° |
| C3 | C4 | C12 | C11 | 177.7° | 179.3° |
| C4 | C3 | N | H | 117.8° | 120.0° |
| C4 | C3 | N | C13 | 94.2° | 155.0° |
| C3 | C4 | C5 | H10 | 3.5° | 0.3° |
| C4 | C3 | N | H19 | 28.1° | 25.0° |
| C4 | C3 | C1 | H6 | 68.0° | 60.0° |
| C3 | C4 | C12 | H18 | 2.3° | 0.4° |
| C4 | C5 | C6 | H10 | 180.0° | 180.0° |
| C4 | C5 | C6 | S | 173.6° | 179.2° |
| C4 | C5 | C6 | C10 | 1.9° | 0.4° |
| C5 | C4 | C12 | C11 | 0.8° | 1.0° |
| C5 | C4 | C3 | N | 58.6° | 140.0° |
| C5 | C4 | C3 | H | 176.8° | 20.0° |
| C5 | C4 | C12 | H18 | 179.1° | 179.3° |
| C5 | C6 | S | C10 | 175.5° | 179.6° |
| C5 | C6 | S | C7 | 169.4° | 167.7° |
| C5 | C6 | S | O | 53.0° | 76.4° |
| C5 | C6 | S | O1 | 74.3° | 51.8° |
| C5 | C6 | C10 | C9 | 175.3° | 177.9° |
| C5 | C6 | C10 | C11 | 2.3° | 1.1° |
| C6 | C5 | C4 | C12 | 0.3° | 0.7° |
| C6 | S | C7 | O | 116.2° | 111.4° |
| C6 | S | C7 | O1 | 114.8° | 111.4° |
| C6 | S | C7 | C8 | 41.9° | 44.9° |
| C6 | S | O | O1 | 121.4° | 117.1° |
| S | C6 | C10 | C9 | 9.4° | 2.5° |
| S | C6 | C10 | C11 | 173.0° | 178.6° |
| S | C6 | C5 | H10 | 6.4° | 0.8° |
| C6 | S | C7 | H12 | 78.2° | 74.4° |
| C6 | S | C7 | H11 | 162.1° | 164.4° |
| S | C7 | C8 | H12 | 120.2° | 119.3° |
| S | C7 | C8 | H11 | 120.2° | 119.5° |
| S | C7 | C8 | C9 | 66.2° | 71.3° |
| C7 | S | O | O1 | 124.5° | 132.0° |
| C7 | S | C6 | C10 | 15.1° | 12.6° |
| S | C7 | H12 | H11 | 119.5° | 121.2° |
| S | C7 | C8 | H13 | 173.5° | 48.6° |
| S | C7 | C8 | H14 | 54.1° | 168.8° |
| C7 | C8 | C9 | H13 | 120.3° | 119.9° |
| C7 | C8 | C9 | H14 | 120.3° | 119.9° |
| C8 | C7 | S | O | 158.2° | 66.5° |
| C8 | C7 | S | O1 | 72.8° | 156.3° |
| C7 | C8 | C9 | C10 | 58.3° | 61.6° |
| C8 | C7 | H12 | H11 | 119.5° | 121.2° |
| C7 | C8 | H13 | H14 | 119.0° | 120.2° |
| C7 | C8 | C9 | H15 | 62.2° | 177.3° |
| C7 | C8 | C9 | H16 | 178.8° | 59.5° |
| C8 | C9 | C10 | C6 | 28.8° | 24.8° |
| C8 | C9 | C10 | H15 | 120.5° | 121.1° |
| C8 | C9 | C10 | H16 | 120.5° | 121.2° |
| C8 | C9 | C10 | C11 | 153.6° | 156.2° |
| C9 | C8 | C7 | H12 | 53.9° | 48.0° |
| C9 | C8 | C7 | H11 | 173.6° | 169.2° |
| C9 | C8 | H13 | H14 | 119.0° | 120.2° |
| C8 | C9 | H15 | H16 | 118.4° | 117.9° |
| O | S | C6 | C10 | 131.5° | 103.2° |
| O | S | C7 | H12 | 38.0° | 174.2° |
| O | S | C7 | H11 | 81.7° | 53.0° |
| O1 | S | C6 | C10 | 101.2° | 128.6° |
| O1 | S | C7 | H12 | 167.0° | 37.0° |
| O1 | S | C7 | H11 | 47.3° | 84.2° |
| C6 | C10 | C9 | C11 | 177.6° | 179.0° |
| C6 | C10 | C11 | C12 | 1.2° | 0.7° |
| C10 | C6 | C5 | H10 | 178.1° | 179.6° |
| C6 | C10 | C11 | H17 | 178.8° | 179.1° |
| C6 | C10 | C9 | H15 | 91.7° | 146.0° |
| C6 | C10 | C9 | H16 | 149.3° | 96.4° |
| C9 | C10 | C11 | C12 | 176.6° | 178.3° |
| C10 | C9 | C8 | H13 | 178.6° | 58.3° |
| C10 | C9 | C8 | H14 | 62.0° | 178.5° |
| C9 | C10 | C11 | H17 | 3.4° | 1.9° |
| C10 | C9 | H15 | H16 | 118.4° | 117.8° |
| C10 | C11 | C12 | H17 | 180.0° | 179.8° |
| C10 | C11 | C12 | C4 | 0.3° | 0.3° |
| C10 | C11 | C12 | H18 | 179.6° | 180.0° |
| C11 | C10 | C9 | H15 | 85.9° | 35.1° |
| C11 | C10 | C9 | H16 | 33.1° | 82.6° |
| C11 | C12 | C4 | H18 | 180.0° | 179.7° |
| C12 | C4 | C3 | N | 118.1° | 39.7° |
| C12 | C4 | C5 | H10 | 179.7° | 179.4° |
| C12 | C4 | C3 | H | 0.1° | 159.7° |
| C4 | C12 | C11 | H17 | 179.7° | 179.9° |
| C3 | N | C13 | H19 | 122.2° | 180.0° |
| C3 | N | C13 | N1 | 11.6° | 0.0° |
| C3 | N | C13 | C16 | 171.1° | 180.0° |
| N | C3 | C1 | H6 | 58.1° | 60.0° |
| N | C13 | N1 | C16 | 177.4° | 180.0° |
| N | C13 | N1 | C14 | 176.3° | 180.0° |
| N | C13 | C16 | C15 | 176.2° | 180.0° |
| N | C13 | C16 | C17 | 2.4° | 0.0° |
| C13 | N | C3 | H | 23.7° | 35.0° |
| C13 | N1 | C14 | N2 | 0.4° | 0.1° |
| N1 | C13 | C16 | C15 | 1.2° | 0.0° |
| N1 | C13 | C16 | C17 | 179.8° | 180.0° |
| C13 | N1 | C14 | H20 | 179.6° | 180.0° |
| N1 | C13 | N | H19 | 133.8° | 180.0° |
| N1 | C14 | N2 | H20 | 180.0° | 179.9° |
| N1 | C14 | N2 | C15 | 1.5° | 0.1° |
| C14 | N1 | C13 | C16 | 1.0° | 0.0° |
| C14 | N2 | C15 | C16 | 1.3° | 0.0° |
| C14 | N2 | C15 | N5 | 177.6° | 180.0° |
| N2 | C15 | C16 | N5 | 179.1° | 180.0° |
| N2 | C15 | C16 | C13 | 0.1° | 0.0° |
| N2 | C15 | C16 | C17 | 178.9° | 180.0° |
| N2 | C15 | N5 | C18 | 179.5° | 180.0° |
| N2 | C15 | N5 | H2 | 0.5° | 0.0° |
| C15 | N2 | C14 | H20 | 178.5° | 180.0° |
| C15 | C16 | C13 | C17 | 178.6° | 180.0° |
| C15 | C16 | C17 | C18 | 1.8° | 0.0° |
| C16 | C15 | N5 | C18 | 1.4° | 0.0° |
| C15 | C16 | C17 | H21 | 178.2° | 180.0° |
| C16 | C15 | N5 | H2 | 178.6° | 180.0° |
| C13 | C16 | C17 | C18 | 179.5° | 180.0° |
| C13 | C16 | C15 | N5 | 179.0° | 180.0° |
| C13 | C16 | C17 | H21 | 0.5° | 0.0° |
| C16 | C13 | N | H19 | 48.9° | 0.0° |
| C16 | C17 | C18 | H21 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 178.5° | 179.9° |
| C16 | C17 | C18 | N5 | 0.9° | 0.0° |
| C17 | C16 | C15 | N5 | 2.0° | 0.0° |
| C17 | C18 | C19 | N5 | 177.3° | 179.9° |
| C17 | C18 | C19 | N3 | 168.8° | 180.0° |
| C17 | C18 | C19 | O2 | 10.4° | 0.0° |
| C17 | C18 | N5 | C15 | 0.3° | 0.0° |
| C17 | C18 | N5 | H2 | 179.7° | 180.0° |
| C18 | C19 | N3 | O2 | 179.2° | 180.0° |
| C18 | C19 | N3 | C20 | 173.0° | 180.0° |
| C19 | C18 | N5 | C15 | 177.5° | 179.9° |
| C18 | C19 | N3 | H22 | 7.0° | 0.0° |
| C19 | C18 | C17 | H21 | 1.5° | 0.1° |
| C19 | C18 | N5 | H2 | 2.5° | 0.1° |
| C19 | N3 | C20 | H22 | 180.0° | 180.0° |
| C19 | N3 | C20 | C21 | 163.7° | 86.5° |
| C19 | N3 | C20 | C24 | 77.7° | 159.9° |
| N3 | C19 | C18 | N5 | 8.5° | 0.1° |
| C19 | N3 | C20 | H1 | 42.6° | 36.6° |
| N3 | C20 | C21 | C24 | 122.7° | 118.4° |
| N3 | C20 | C21 | H1 | 121.6° | 123.1° |
| N3 | C20 | C21 | N4 | 118.2° | 140.7° |
| N3 | C20 | C24 | C23 | 143.1° | 154.0° |
| N3 | C20 | C24 | H1 | 120.9° | 123.2° |
| C20 | N3 | C19 | O2 | 6.2° | 0.0° |
| N3 | C20 | C21 | H24 | 1.2° | 21.2° |
| N3 | C20 | C21 | H23 | 122.4° | 99.9° |
| N3 | C20 | C24 | H31 | 24.2° | 87.9° |
| N3 | C20 | C24 | H30 | 97.8° | 35.9° |
| C20 | C21 | N4 | H24 | 119.5° | 119.4° |
| C20 | C21 | N4 | H23 | 119.4° | 119.4° |
| C20 | C21 | N4 | C22 | 152.5° | 123.2° |
| C20 | C21 | N4 | C23 | 28.3° | 1.0° |
| C21 | C20 | C24 | C23 | 19.9° | 35.6° |
| C21 | C20 | C24 | H1 | 115.8° | 118.4° |
| C21 | C20 | N3 | H22 | 16.3° | 93.5° |
| C20 | C21 | H24 | H23 | 121.6° | 121.1° |
| C21 | C20 | C24 | H31 | 99.1° | 153.7° |
| C21 | C20 | C24 | H30 | 138.9° | 82.5° |
| C21 | N4 | C22 | C23 | 120.0° | 120.8° |
| C21 | N4 | C23 | C24 | 41.3° | 24.1° |
| N4 | C21 | C20 | C24 | 4.5° | 22.3° |
| N4 | C21 | C20 | H1 | 120.2° | 96.3° |
| N4 | C21 | H24 | H23 | 121.6° | 121.1° |
| C21 | N4 | C22 | H25 | 180.0° | 60.0° |
| C21 | N4 | C22 | H26 | 60.0° | 180.0° |
| C21 | N4 | C22 | H27 | 60.0° | 60.0° |
| C21 | N4 | C23 | H29 | 160.3° | 94.7° |
| C21 | N4 | C23 | H28 | 77.8° | 143.0° |
| C22 | N4 | C23 | C24 | 165.7° | 146.3° |
| C22 | N4 | C21 | H24 | 88.1° | 117.4° |
| C22 | N4 | C21 | H23 | 33.1° | 3.8° |
| N4 | C22 | H25 | H26 | 120.0° | 120.0° |
| N4 | C22 | H25 | H27 | 120.0° | 120.0° |
| N4 | C22 | H26 | H27 | 120.0° | 120.0° |
| C22 | N4 | C23 | H29 | 75.3° | 27.6° |
| C22 | N4 | C23 | H28 | 46.6° | 94.8° |
| N4 | C23 | C24 | H29 | 119.0° | 118.8° |
| N4 | C23 | C24 | H28 | 119.0° | 119.0° |
| N4 | C23 | C24 | C20 | 37.3° | 37.1° |
| C23 | N4 | C21 | H24 | 147.8° | 120.4° |
| C23 | N4 | C21 | H23 | 91.1° | 118.4° |
| C23 | N4 | C22 | H25 | 60.0° | 60.8° |
| C23 | N4 | C22 | H26 | 180.0° | 59.2° |
| C23 | N4 | C22 | H27 | 60.0° | 179.1° |
| N4 | C23 | C24 | H31 | 81.7° | 155.2° |
| N4 | C23 | C24 | H30 | 156.3° | 81.1° |
| N4 | C23 | H29 | H28 | 122.7° | 122.4° |
| C23 | C24 | C20 | H31 | 119.0° | 118.1° |
| C23 | C24 | C20 | H30 | 119.0° | 118.1° |
| C23 | C24 | C20 | H1 | 96.0° | 82.8° |
| C23 | C24 | H31 | H30 | 122.9° | 123.8° |
| C24 | C23 | H29 | H28 | 122.8° | 122.3° |
| C24 | C20 | N3 | H22 | 102.4° | 20.0° |
| C24 | C20 | C21 | H24 | 123.9° | 97.1° |
| C24 | C20 | C21 | H23 | 115.0° | 141.7° |
| C20 | C24 | H31 | H30 | 122.9° | 123.9° |
| C20 | C24 | C23 | H29 | 156.4° | 81.7° |
| C20 | C24 | C23 | H28 | 81.7° | 156.0° |
| O2 | C19 | C18 | N5 | 172.3° | 179.9° |
| O2 | C19 | N3 | H22 | 173.8° | 180.0° |
| C18 | N5 | C15 | H2 | 180.0° | 180.0° |
| N5 | C18 | C17 | H21 | 179.1° | 180.0° |
| H22 | N3 | C20 | H1 | 137.4° | 143.4° |
| H12 | C7 | C8 | H13 | 66.4° | 167.9° |
| H12 | C7 | C8 | H14 | 174.3° | 71.9° |
| H11 | C7 | C8 | H13 | 53.3° | 70.9° |
| H11 | C7 | C8 | H14 | 66.0° | 49.3° |
| H13 | C8 | C9 | H15 | 58.1° | 62.8° |
| H13 | C8 | C9 | H16 | 60.9° | 179.5° |
| H14 | C8 | C9 | H15 | 177.5° | 57.4° |
| H14 | C8 | C9 | H16 | 58.5° | 60.3° |
| H1 | C20 | C21 | H24 | 120.3° | 144.3° |
| H1 | C20 | C21 | H23 | 0.8° | 23.1° |
| H1 | C20 | C24 | H31 | 145.0° | 35.3° |
| H1 | C20 | C24 | H30 | 23.0° | 159.1° |
| H25 | C22 | H26 | H27 | 120.0° | 120.0° |
| H31 | C24 | C23 | H29 | 37.4° | 36.4° |
| H31 | C24 | C23 | H28 | 159.3° | 85.9° |
| H30 | C24 | C23 | H29 | 84.6° | 160.1° |
| H30 | C24 | C23 | H28 | 37.3° | 37.9° |
| H19 | N | C3 | H | 145.9° | 145.0° |
| H | C3 | C1 | H6 | 174.6° | 180.0° |
| H6 | C1 | C2 | H7 | 62.3° | 179.9° |
| H6 | C1 | C2 | H9 | 57.8° | 60.0° |
| H6 | C1 | C2 | H8 | 177.8° | 60.0° |
| H6 | C1 | C | H3 | 62.2° | 60.1° |
| H6 | C1 | C | H4 | 177.8° | 60.0° |
| H6 | C1 | C | H5 | 57.8° | 180.0° |
| H7 | C2 | H9 | H8 | 120.0° | 120.0° |
| H3 | C | H4 | H5 | 120.0° | 120.0° |
| H18 | C12 | C11 | H17 | 0.4° | 0.1° |
