A1DI5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | N2 | sing | 1.47Å | 1.48Å | |
| C20 | C4 | sing | 1.54Å | 1.53Å | |
| C20 | N3 | sing | 1.48Å | 1.48Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | C1 | sing | 1.51Å | 1.53Å | |
| C4 | N2 | sing | 1.47Å | 1.48Å | |
| C4 | C5 | sing | 1.54Å | 1.53Å | |
| C2 | N1 | sing | 1.47Å | 1.48Å | |
| N3 | C5 | sing | 1.48Å | 1.48Å | |
| N3 | C6 | sing | 1.39Å | 1.34Å | |
| N2 | C21 | sing | 1.47Å | 1.48Å | |
| C1 | N1 | sing | 1.35Å | 1.35Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| N1 | C22 | sing | 1.47Å | 1.48Å | |
| C17 | N4 | sing | 1.47Å | 1.48Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C6 | N7 | sing | 1.33Å | 1.34Å | Aromatic |
| N4 | C8 | sing | 1.39Å | 1.35Å | |
| N4 | C9 | sing | 1.47Å | 1.48Å | |
| C8 | N6 | doub | 1.33Å | 1.34Å | Aromatic |
| C16 | C11 | sing | 1.53Å | 1.53Å | |
| N7 | C18 | doub | 1.32Å | 1.34Å | Aromatic |
| N6 | C18 | sing | 1.32Å | 1.34Å | Aromatic |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.51Å | 1.41Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.51Å | 1.55Å | |
| F1 | C19 | sing | 1.40Å | 1.33Å | |
| C19 | F2 | sing | 1.40Å | 1.33Å | |
| C19 | F3 | sing | 1.40Å | 1.33Å | |
| C12 | C14 | doub | 1.34Å | 1.39Å | Aromatic |
| C12 | S1 | sing | 1.76Å | 1.72Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| C14 | N5 | sing | 1.32Å | 1.34Å | Aromatic |
| S1 | C13 | sing | 1.71Å | 1.72Å | Aromatic |
| N5 | C13 | doub | 1.29Å | 1.34Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C2 | H27 | sing | 1.09Å | 1.10Å | |
| C2 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C3 | N2 | 110.2° | 109.3° |
| C3 | C2 | N1 | 108.4° | 108.5° |
| C2 | C3 | H12 | 109.3° | 109.5° |
| C2 | C3 | H13 | 109.3° | 109.5° |
| C3 | C2 | H27 | 109.7° | 109.6° |
| C3 | C2 | H28 | 109.8° | 109.6° |
| C3 | N2 | C4 | 103.5° | 111.0° |
| C3 | N2 | C21 | 104.1° | 111.2° |
| N2 | C3 | H12 | 109.3° | 109.5° |
| N2 | C3 | H13 | 109.3° | 109.5° |
| C4 | C20 | N3 | 88.9° | 86.2° |
| C20 | C4 | N2 | 117.2° | 113.7° |
| C20 | C4 | C5 | 88.7° | 86.3° |
| C20 | C4 | H1 | 111.7° | 113.8° |
| C4 | C20 | H21 | 114.4° | 113.8° |
| C4 | C20 | H22 | 114.3° | 113.7° |
| C20 | N3 | C5 | 92.6° | 90.7° |
| C20 | N3 | C6 | 128.6° | 110.9° |
| N3 | C20 | H21 | 114.3° | 113.8° |
| N3 | C20 | H22 | 114.3° | 113.7° |
| C24 | C23 | C1 | 115.7° | 109.5° |
| C24 | C23 | H29 | 107.9° | 109.5° |
| C24 | C23 | H30 | 107.9° | 109.4° |
| C23 | C24 | H31 | 109.5° | 109.5° |
| C23 | C24 | H32 | 109.4° | 109.5° |
| C23 | C24 | H33 | 109.4° | 109.4° |
| C23 | C1 | N1 | 119.8° | 120.0° |
| C23 | C1 | O1 | 117.6° | 120.0° |
| C1 | C23 | H29 | 107.9° | 109.5° |
| C1 | C23 | H30 | 107.9° | 109.5° |
| N2 | C4 | C5 | 112.9° | 113.7° |
| C4 | N2 | C21 | 109.0° | 111.0° |
| N2 | C4 | H1 | 112.5° | 112.9° |
| C4 | C5 | N3 | 89.0° | 86.2° |
| C5 | C4 | H1 | 111.7° | 113.8° |
| C4 | C5 | H2 | 114.3° | 113.7° |
| C4 | C5 | H3 | 114.3° | 113.8° |
| C2 | N1 | C1 | 127.0° | 120.9° |
| C2 | N1 | C22 | 113.5° | 118.2° |
| N1 | C2 | H27 | 109.8° | 109.6° |
| N1 | C2 | H28 | 109.7° | 109.7° |
| C5 | N3 | C6 | 125.5° | 111.0° |
| N3 | C5 | H2 | 114.3° | 113.7° |
| N3 | C5 | H3 | 114.3° | 113.9° |
| N3 | C6 | C7 | 121.1° | 120.5° |
| N3 | C6 | N7 | 119.9° | 120.5° |
| N2 | C21 | C22 | 105.8° | 109.4° |
| N2 | C21 | H23 | 110.4° | 109.5° |
| N2 | C21 | H24 | 110.4° | 109.5° |
| N1 | C1 | O1 | 122.6° | 120.0° |
| C1 | N1 | C22 | 119.4° | 120.9° |
| N1 | C22 | C21 | 107.8° | 108.5° |
| N1 | C22 | H25 | 109.9° | 109.6° |
| N1 | C22 | H26 | 109.9° | 109.6° |
| N4 | C17 | C16 | 109.2° | 109.5° |
| C17 | N4 | C8 | 123.3° | 111.0° |
| C17 | N4 | C9 | 114.3° | 111.2° |
| N4 | C17 | H19 | 109.6° | 109.5° |
| N4 | C17 | H20 | 109.6° | 109.5° |
| C17 | C16 | C11 | 107.6° | 109.3° |
| C17 | C16 | H17 | 109.9° | 109.6° |
| C17 | C16 | H18 | 109.9° | 109.6° |
| C16 | C17 | H19 | 109.5° | 109.4° |
| C16 | C17 | H20 | 109.5° | 109.4° |
| C6 | C7 | C8 | 119.8° | 118.2° |
| C7 | C6 | N7 | 118.9° | 119.1° |
| C6 | C7 | H5 | 120.1° | 120.9° |
| C7 | C8 | N4 | 123.8° | 120.5° |
| C7 | C8 | N6 | 117.6° | 119.0° |
| C8 | C7 | H5 | 120.1° | 120.9° |
| C22 | C21 | H23 | 110.4° | 109.5° |
| C22 | C21 | H24 | 110.4° | 109.5° |
| C21 | C22 | H25 | 109.9° | 109.7° |
| C21 | C22 | H26 | 109.9° | 109.7° |
| C6 | N7 | C18 | 121.1° | 120.8° |
| C8 | N4 | C9 | 119.9° | 111.0° |
| N4 | C8 | N6 | 118.5° | 120.5° |
| N4 | C9 | C10 | 104.0° | 109.5° |
| N4 | C9 | H6 | 110.8° | 109.5° |
| N4 | C9 | H7 | 110.8° | 109.4° |
| C8 | N6 | C18 | 122.8° | 120.9° |
| C16 | C11 | C10 | 114.5° | 109.2° |
| C16 | C11 | C12 | 108.5° | 109.5° |
| C16 | C11 | H4 | 108.6° | 109.6° |
| C11 | C16 | H17 | 110.0° | 109.5° |
| C11 | C16 | H18 | 110.0° | 109.5° |
| N7 | C18 | N6 | 119.7° | 121.9° |
| N7 | C18 | C19 | 121.5° | 119.0° |
| N6 | C18 | C19 | 118.9° | 119.1° |
| C9 | C10 | C11 | 110.0° | 109.3° |
| C10 | C9 | H6 | 110.8° | 109.5° |
| C10 | C9 | H7 | 110.8° | 109.4° |
| C9 | C10 | H8 | 109.3° | 109.5° |
| C9 | C10 | H9 | 109.3° | 109.5° |
| C18 | C19 | F1 | 109.8° | 109.5° |
| C18 | C19 | F2 | 113.0° | 109.4° |
| C18 | C19 | F3 | 110.8° | 109.5° |
| C10 | C11 | C12 | 108.4° | 109.5° |
| C10 | C11 | H4 | 108.5° | 109.5° |
| C11 | C10 | H8 | 109.3° | 109.5° |
| C11 | C10 | H9 | 109.4° | 109.5° |
| C11 | C12 | C14 | 126.4° | 126.0° |
| C11 | C12 | S1 | 123.1° | 126.1° |
| C12 | C11 | H4 | 108.3° | 109.5° |
| F1 | C19 | F2 | 107.1° | 109.5° |
| F1 | C19 | F3 | 107.4° | 109.5° |
| F2 | C19 | F3 | 108.5° | 109.5° |
| C14 | C12 | S1 | 110.5° | 107.9° |
| C12 | C14 | C15 | 125.3° | 122.7° |
| C12 | C14 | N5 | 112.5° | 114.5° |
| C12 | S1 | C13 | 90.7° | 90.3° |
| C15 | C14 | N5 | 122.2° | 122.8° |
| C14 | C15 | H14 | 109.5° | 109.5° |
| C14 | C15 | H15 | 109.5° | 109.5° |
| C14 | C15 | H16 | 109.5° | 109.4° |
| C14 | N5 | C13 | 115.0° | 117.1° |
| S1 | C13 | N5 | 111.3° | 110.2° |
| S1 | C13 | H10 | 124.3° | 124.9° |
| N5 | C13 | H10 | 124.4° | 124.9° |
| H2 | C5 | H3 | 109.5° | 112.9° |
| H6 | C9 | H7 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.4° | 109.5° |
| H12 | C3 | H13 | 109.5° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H14 | C15 | H16 | 109.4° | 109.4° |
| H15 | C15 | H16 | 109.4° | 109.5° |
| H17 | C16 | H18 | 109.4° | 109.5° |
| H19 | C17 | H20 | 109.5° | 109.5° |
| H21 | C20 | H22 | 109.5° | 113.0° |
| H23 | C21 | H24 | 109.4° | 109.5° |
| H25 | C22 | H26 | 109.5° | 109.8° |
| H27 | C2 | H28 | 109.5° | 109.8° |
| H29 | C23 | H30 | 109.5° | 109.5° |
| H31 | C24 | H32 | 109.5° | 109.5° |
| H31 | C24 | H33 | 109.5° | 109.4° |
| H32 | C24 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C3 | N2 | H12 | 120.1° | 120.0° |
| C2 | C3 | N2 | H13 | 120.1° | 120.0° |
| C2 | C3 | N2 | C4 | 177.6° | 172.7° |
| C3 | C2 | N1 | H27 | 119.8° | 119.7° |
| C3 | C2 | N1 | H28 | 119.8° | 119.7° |
| C2 | C3 | N2 | C21 | 68.5° | 63.1° |
| C3 | C2 | N1 | C1 | 133.4° | 129.1° |
| C3 | C2 | N1 | C22 | 51.1° | 51.2° |
| C2 | C3 | H12 | H13 | 119.6° | 120.1° |
| C3 | C2 | H27 | H28 | 120.5° | 120.4° |
| C3 | N2 | C4 | C20 | 81.1° | 36.0° |
| C3 | N2 | C4 | C21 | 110.3° | 124.3° |
| C3 | N2 | C4 | C5 | 178.0° | 60.7° |
| N2 | C3 | C2 | N1 | 57.0° | 53.8° |
| C3 | N2 | C21 | C22 | 71.9° | 63.1° |
| C3 | N2 | C4 | H1 | 50.4° | 167.7° |
| N2 | C3 | H12 | H13 | 119.7° | 120.0° |
| C3 | N2 | C21 | H23 | 168.7° | 176.9° |
| C3 | N2 | C21 | H24 | 47.5° | 56.9° |
| N2 | C3 | C2 | H27 | 176.8° | 65.9° |
| N2 | C3 | C2 | H28 | 62.9° | 173.6° |
| C4 | C20 | N3 | H21 | 116.3° | 114.3° |
| C4 | C20 | N3 | H22 | 116.3° | 114.2° |
| C20 | C4 | N2 | C5 | 100.9° | 96.7° |
| C20 | C4 | N2 | H1 | 131.6° | 131.7° |
| C20 | C4 | C5 | H1 | 112.9° | 114.5° |
| C4 | C20 | N3 | C5 | 7.2° | 24.7° |
| C4 | C20 | N3 | C6 | 148.5° | 137.6° |
| C20 | C4 | N2 | C21 | 168.5° | 88.3° |
| C20 | C4 | C5 | H2 | 123.4° | 138.1° |
| C20 | C4 | C5 | H3 | 109.3° | 90.7° |
| C4 | C20 | H21 | H22 | 129.8° | 131.6° |
| N3 | C20 | C4 | N2 | 122.1° | 138.1° |
| C20 | N3 | C5 | C6 | 143.0° | 112.8° |
| C20 | N3 | C6 | C7 | 13.4° | 80.4° |
| C20 | N3 | C6 | N7 | 163.7° | 99.4° |
| N3 | C20 | C4 | H1 | 105.9° | 90.7° |
| C20 | N3 | C5 | H2 | 123.6° | 139.0° |
| C20 | N3 | C5 | H3 | 109.1° | 89.6° |
| N3 | C20 | H21 | H22 | 129.8° | 131.8° |
| C24 | C23 | C1 | H29 | 120.9° | 120.0° |
| C24 | C23 | C1 | H30 | 120.9° | 119.9° |
| C24 | C23 | C1 | N1 | 113.4° | 180.0° |
| C24 | C23 | C1 | O1 | 66.0° | 0.1° |
| C24 | C23 | H29 | H30 | 117.1° | 119.9° |
| C23 | C24 | H31 | H32 | 120.0° | 120.1° |
| C23 | C24 | H31 | H33 | 120.0° | 119.9° |
| C23 | C24 | H32 | H33 | 120.0° | 120.0° |
| C23 | C1 | N1 | C2 | 6.0° | 0.3° |
| C23 | C1 | N1 | O1 | 179.4° | 180.0° |
| C23 | C1 | N1 | C22 | 178.7° | 180.0° |
| C1 | C23 | H29 | H30 | 117.2° | 120.1° |
| C1 | C23 | C24 | H31 | 180.0° | 180.0° |
| C1 | C23 | C24 | H32 | 60.0° | 59.9° |
| C1 | C23 | C24 | H33 | 60.0° | 60.1° |
| N2 | C4 | C5 | H1 | 128.0° | 131.2° |
| N2 | C4 | C5 | N3 | 126.1° | 138.1° |
| C4 | N2 | C21 | C22 | 178.1° | 172.7° |
| N2 | C4 | C5 | H2 | 117.6° | 107.6° |
| N2 | C4 | C5 | H3 | 9.8° | 23.6° |
| C4 | N2 | C3 | H12 | 57.5° | 67.3° |
| C4 | N2 | C3 | H13 | 62.3° | 52.7° |
| N2 | C4 | C20 | H21 | 5.8° | 23.7° |
| N2 | C4 | C20 | H22 | 121.6° | 107.6° |
| C4 | N2 | C21 | H23 | 58.7° | 52.8° |
| C4 | N2 | C21 | H24 | 62.4° | 67.3° |
| C4 | C5 | N3 | H2 | 116.4° | 114.3° |
| C4 | C5 | N3 | H3 | 116.4° | 114.4° |
| C4 | C5 | N3 | C6 | 150.3° | 137.6° |
| C5 | C4 | N2 | C21 | 67.7° | 175.0° |
| C4 | C5 | H2 | H3 | 129.8° | 131.6° |
| C5 | C4 | C20 | H21 | 109.3° | 90.6° |
| C5 | C4 | C20 | H22 | 123.3° | 138.1° |
| C2 | N1 | C1 | C22 | 175.3° | 179.8° |
| C2 | N1 | C1 | O1 | 173.4° | 179.7° |
| C2 | N1 | C22 | C21 | 56.5° | 51.2° |
| N1 | C2 | C3 | H12 | 177.1° | 66.1° |
| N1 | C2 | C3 | H13 | 63.2° | 173.8° |
| C2 | N1 | C22 | H25 | 176.3° | 170.9° |
| C2 | N1 | C22 | H26 | 63.2° | 68.6° |
| N1 | C2 | H27 | H28 | 120.5° | 120.5° |
| C5 | N3 | C6 | C7 | 143.2° | 179.7° |
| C5 | N3 | C6 | N7 | 34.0° | 0.1° |
| N3 | C5 | C4 | H1 | 105.9° | 90.7° |
| N3 | C5 | H2 | H3 | 129.7° | 131.8° |
| C5 | N3 | C20 | H21 | 109.1° | 89.6° |
| C5 | N3 | C20 | H22 | 123.6° | 139.0° |
| N3 | C6 | C7 | N7 | 177.2° | 179.8° |
| N3 | C6 | C7 | C8 | 178.7° | 179.7° |
| N3 | C6 | N7 | C18 | 178.4° | 179.8° |
| C6 | N3 | C5 | H2 | 93.4° | 108.1° |
| C6 | N3 | C5 | H3 | 33.9° | 23.2° |
| N3 | C6 | C7 | H5 | 1.3° | 0.2° |
| C6 | N3 | C20 | H21 | 32.1° | 23.3° |
| C6 | N3 | C20 | H22 | 95.2° | 108.2° |
| N2 | C21 | C22 | N1 | 66.4° | 53.9° |
| N2 | C21 | C22 | H23 | 119.4° | 119.9° |
| N2 | C21 | C22 | H24 | 119.4° | 120.0° |
| C21 | N2 | C4 | H1 | 59.9° | 43.4° |
| C21 | N2 | C3 | H12 | 171.4° | 56.9° |
| C21 | N2 | C3 | H13 | 51.6° | 176.9° |
| N2 | C21 | H23 | H24 | 121.7° | 120.1° |
| N2 | C21 | C22 | H25 | 173.9° | 173.5° |
| N2 | C21 | C22 | H26 | 53.4° | 65.8° |
| C1 | N1 | C22 | C21 | 127.6° | 129.1° |
| C1 | N1 | C22 | H25 | 7.8° | 9.3° |
| C1 | N1 | C22 | H26 | 112.7° | 111.2° |
| C1 | N1 | C2 | H27 | 13.5° | 111.2° |
| C1 | N1 | C2 | H28 | 106.8° | 9.4° |
| N1 | C1 | C23 | H29 | 7.5° | 60.0° |
| N1 | C1 | C23 | H30 | 125.7° | 60.0° |
| O1 | C1 | N1 | C22 | 1.9° | 0.0° |
| O1 | C1 | C23 | H29 | 173.1° | 120.0° |
| O1 | C1 | C23 | H30 | 54.9° | 120.0° |
| N1 | C22 | C21 | H25 | 119.7° | 119.7° |
| N1 | C22 | C21 | H26 | 119.8° | 119.7° |
| N1 | C22 | C21 | H23 | 174.2° | 173.8° |
| N1 | C22 | C21 | H24 | 53.1° | 66.2° |
| N1 | C22 | H25 | H26 | 120.8° | 120.4° |
| C22 | N1 | C2 | H27 | 170.9° | 68.5° |
| C22 | N1 | C2 | H28 | 68.7° | 170.9° |
| N4 | C17 | C16 | H19 | 120.0° | 120.1° |
| N4 | C17 | C16 | H20 | 120.0° | 120.0° |
| C17 | N4 | C8 | C7 | 4.4° | 180.0° |
| C17 | N4 | C8 | C9 | 160.9° | 124.3° |
| C17 | N4 | C8 | N6 | 172.2° | 0.1° |
| N4 | C17 | C16 | C11 | 53.0° | 59.2° |
| C17 | N4 | C9 | C10 | 66.1° | 61.8° |
| C17 | N4 | C9 | H6 | 53.0° | 178.2° |
| C17 | N4 | C9 | H7 | 174.8° | 58.2° |
| N4 | C17 | C16 | H17 | 66.7° | 179.1° |
| N4 | C17 | C16 | H18 | 172.8° | 60.8° |
| N4 | C17 | H19 | H20 | 120.2° | 120.1° |
| C16 | C17 | N4 | C8 | 96.4° | 62.4° |
| C16 | C17 | N4 | C9 | 65.4° | 61.8° |
| C17 | C16 | C11 | H17 | 119.7° | 120.0° |
| C17 | C16 | C11 | H18 | 119.7° | 120.0° |
| C17 | C16 | C11 | C10 | 51.9° | 57.7° |
| C17 | C16 | C11 | C12 | 173.0° | 177.6° |
| C17 | C16 | C11 | H4 | 69.5° | 62.3° |
| C17 | C16 | H17 | H18 | 120.8° | 120.2° |
| C16 | C17 | H19 | H20 | 120.1° | 119.9° |
| C6 | C7 | C8 | H5 | 180.0° | 180.0° |
| C6 | C7 | C8 | N4 | 178.3° | 179.9° |
| C6 | C7 | C8 | N6 | 1.7° | 0.0° |
| C7 | C6 | N7 | C18 | 1.2° | 0.0° |
| C8 | C7 | C6 | N7 | 1.5° | 0.0° |
| C7 | C8 | N4 | N6 | 176.6° | 179.9° |
| C7 | C8 | N4 | C9 | 165.3° | 55.7° |
| C7 | C8 | N6 | C18 | 1.5° | 0.0° |
| C22 | C21 | H23 | H24 | 121.7° | 120.0° |
| C21 | C22 | H25 | H26 | 120.7° | 120.6° |
| C6 | N7 | C18 | N6 | 1.0° | 0.0° |
| C6 | N7 | C18 | C19 | 178.9° | 180.0° |
| N7 | C6 | C7 | H5 | 178.5° | 180.0° |
| N4 | C8 | N6 | C18 | 178.3° | 179.9° |
| C8 | N4 | C9 | C10 | 96.4° | 62.4° |
| N4 | C8 | C7 | H5 | 1.7° | 0.1° |
| C8 | N4 | C9 | H6 | 144.4° | 57.6° |
| C8 | N4 | C9 | H7 | 22.7° | 177.6° |
| C8 | N4 | C17 | H19 | 23.5° | 177.6° |
| C8 | N4 | C17 | H20 | 143.6° | 57.6° |
| C9 | N4 | C8 | N6 | 11.3° | 124.2° |
| N4 | C9 | C10 | H6 | 119.1° | 120.0° |
| N4 | C9 | C10 | H7 | 119.1° | 120.0° |
| N4 | C9 | C10 | C11 | 58.5° | 59.2° |
| N4 | C9 | H6 | H7 | 122.6° | 120.0° |
| N4 | C9 | C10 | H8 | 178.6° | 60.8° |
| N4 | C9 | C10 | H9 | 61.6° | 179.1° |
| C9 | N4 | C17 | H19 | 174.6° | 58.2° |
| C9 | N4 | C17 | H20 | 54.5° | 178.3° |
| C8 | N6 | C18 | N7 | 1.2° | 0.0° |
| C8 | N6 | C18 | C19 | 178.7° | 180.0° |
| N6 | C8 | C7 | H5 | 178.3° | 180.0° |
| C16 | C11 | C10 | C9 | 56.8° | 57.7° |
| C16 | C11 | C10 | C12 | 121.2° | 119.9° |
| C16 | C11 | C10 | H4 | 121.5° | 120.0° |
| C16 | C11 | C12 | H4 | 117.7° | 120.2° |
| C16 | C11 | C12 | C14 | 120.9° | 120.4° |
| C16 | C11 | C12 | S1 | 59.6° | 59.7° |
| C16 | C11 | C10 | H8 | 176.8° | 62.3° |
| C16 | C11 | C10 | H9 | 63.3° | 177.6° |
| C11 | C16 | H17 | H18 | 120.9° | 120.0° |
| C11 | C16 | C17 | H19 | 173.0° | 60.9° |
| C11 | C16 | C17 | H20 | 66.9° | 179.2° |
| N7 | C18 | N6 | C19 | 179.9° | 180.0° |
| N7 | C18 | C19 | F1 | 104.6° | 75.0° |
| N7 | C18 | C19 | F2 | 15.0° | 165.0° |
| N7 | C18 | C19 | F3 | 137.0° | 45.0° |
| N6 | C18 | C19 | F1 | 75.3° | 104.9° |
| N6 | C18 | C19 | F2 | 165.1° | 15.0° |
| N6 | C18 | C19 | F3 | 43.1° | 135.0° |
| C9 | C10 | C11 | H8 | 120.1° | 120.0° |
| C9 | C10 | C11 | H9 | 120.1° | 119.9° |
| C9 | C10 | C11 | C12 | 177.9° | 177.5° |
| C9 | C10 | C11 | H4 | 64.7° | 62.4° |
| C10 | C9 | H6 | H7 | 122.5° | 120.0° |
| C9 | C10 | H8 | H9 | 119.7° | 120.1° |
| C18 | C19 | F1 | F2 | 123.1° | 120.0° |
| C18 | C19 | F1 | F3 | 120.5° | 120.0° |
| C18 | C19 | F2 | F3 | 123.3° | 120.0° |
| C10 | C11 | C12 | H4 | 117.5° | 120.1° |
| C10 | C11 | C12 | C14 | 114.2° | 120.0° |
| C10 | C11 | C12 | S1 | 65.2° | 60.0° |
| C11 | C10 | C9 | H6 | 60.6° | 179.2° |
| C11 | C10 | C9 | H7 | 177.7° | 60.8° |
| C11 | C10 | H8 | H9 | 119.8° | 120.1° |
| C10 | C11 | C16 | H17 | 67.8° | 177.6° |
| C10 | C11 | C16 | H18 | 171.6° | 62.4° |
| C11 | C12 | C14 | S1 | 179.5° | 179.9° |
| C11 | C12 | C14 | C15 | 0.1° | 0.2° |
| C11 | C12 | C14 | N5 | 179.8° | 180.0° |
| C11 | C12 | S1 | C13 | 179.9° | 180.0° |
| C12 | C11 | C10 | H8 | 62.0° | 57.6° |
| C12 | C11 | C10 | H9 | 57.8° | 62.5° |
| C12 | C11 | C16 | H17 | 53.3° | 62.5° |
| C12 | C11 | C16 | H18 | 67.2° | 57.5° |
| F1 | C19 | F2 | F3 | 115.7° | 120.0° |
| C12 | C14 | C15 | N5 | 179.7° | 179.8° |
| C14 | C12 | S1 | C13 | 0.6° | 0.0° |
| C12 | C14 | N5 | C13 | 0.3° | 0.0° |
| C14 | C12 | C11 | H4 | 3.3° | 0.2° |
| C12 | C14 | C15 | H14 | 179.7° | 90.2° |
| C12 | C14 | C15 | H15 | 60.3° | 29.8° |
| C12 | C14 | C15 | H16 | 59.7° | 149.8° |
| S1 | C12 | C14 | C15 | 179.4° | 179.8° |
| S1 | C12 | C14 | N5 | 0.3° | 0.1° |
| C12 | S1 | C13 | N5 | 0.7° | 0.0° |
| S1 | C12 | C11 | H4 | 177.3° | 179.9° |
| C12 | S1 | C13 | H10 | 179.3° | 180.0° |
| C15 | C14 | N5 | C13 | 180.0° | 179.8° |
| C14 | C15 | H14 | H15 | 120.0° | 120.0° |
| C14 | C15 | H14 | H16 | 120.0° | 120.0° |
| C14 | C15 | H15 | H16 | 120.0° | 120.0° |
| C14 | N5 | C13 | S1 | 0.7° | 0.0° |
| C14 | N5 | C13 | H10 | 179.3° | 179.9° |
| N5 | C14 | C15 | H14 | 0.0° | 89.9° |
| N5 | C14 | C15 | H15 | 120.0° | 150.0° |
| N5 | C14 | C15 | H16 | 120.0° | 30.0° |
| S1 | C13 | N5 | H10 | 180.0° | 180.0° |
| H1 | C4 | C5 | H2 | 10.4° | 23.6° |
| H1 | C4 | C5 | H3 | 137.7° | 154.8° |
| H1 | C4 | C20 | H21 | 137.8° | 154.9° |
| H1 | C4 | C20 | H22 | 10.4° | 23.6° |
| H4 | C11 | C10 | H8 | 55.4° | 177.7° |
| H4 | C11 | C10 | H9 | 175.2° | 57.6° |
| H4 | C11 | C16 | H17 | 170.8° | 57.7° |
| H4 | C11 | C16 | H18 | 50.2° | 177.7° |
| H6 | C9 | C10 | H8 | 59.5° | 59.2° |
| H6 | C9 | C10 | H9 | 179.3° | 60.9° |
| H7 | C9 | C10 | H8 | 62.2° | 179.3° |
| H7 | C9 | C10 | H9 | 57.5° | 59.1° |
| H12 | C3 | C2 | H27 | 63.1° | 174.2° |
| H12 | C3 | C2 | H28 | 57.3° | 53.6° |
| H13 | C3 | C2 | H27 | 56.7° | 54.1° |
| H13 | C3 | C2 | H28 | 177.0° | 66.5° |
| H14 | C15 | H15 | H16 | 120.0° | 120.0° |
| H17 | C16 | C17 | H19 | 53.3° | 59.1° |
| H17 | C16 | C17 | H20 | 173.4° | 60.9° |
| H18 | C16 | C17 | H19 | 67.3° | 179.2° |
| H18 | C16 | C17 | H20 | 52.8° | 59.2° |
| H23 | C21 | C22 | H25 | 54.5° | 66.5° |
| H23 | C21 | C22 | H26 | 66.0° | 54.1° |
| H24 | C21 | C22 | H25 | 66.7° | 53.5° |
| H24 | C21 | C22 | H26 | 172.8° | 174.1° |
| H29 | C23 | C24 | H31 | 59.1° | 59.9° |
| H29 | C23 | C24 | H32 | 60.9° | 180.0° |
| H29 | C23 | C24 | H33 | 179.1° | 60.0° |
| H30 | C23 | C24 | H31 | 59.1° | 60.0° |
| H30 | C23 | C24 | H32 | 179.1° | 60.1° |
| H30 | C23 | C24 | H33 | 60.9° | 180.0° |
| H31 | C24 | H32 | H33 | 120.0° | 120.0° |
