A1IDT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C6 | sing | 1.41Å | 1.47Å | Aromatic |
| C1 | N2 | sing | 1.37Å | 1.30Å | Aromatic |
| C1 | N18 | doub | 1.33Å | 1.26Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.36Å | Aromatic |
| N2 | C20 | sing | 1.36Å | 1.31Å | Aromatic |
| N3 | C4 | doub | 1.31Å | 1.27Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.49Å | Aromatic |
| C5 | C6 | doub | 1.36Å | 1.35Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.52Å | |
| C7 | N8 | sing | 1.47Å | 1.47Å | |
| C7 | C23 | sing | 1.53Å | 1.55Å | |
| N8 | C9 | sing | 1.47Å | 1.45Å | |
| N8 | C12 | sing | 1.34Å | 1.34Å | |
| C9 | C10 | sing | 1.54Å | 1.55Å | |
| C10 | N11 | sing | 1.47Å | 1.44Å | |
| C10 | C14 | sing | 1.53Å | 1.55Å | |
| N11 | C12 | sing | 1.34Å | 1.33Å | |
| C12 | O13 | doub | 1.22Å | 1.22Å | |
| C14 | F15 | sing | 1.40Å | 1.34Å | |
| C14 | F16 | sing | 1.40Å | 1.35Å | |
| C14 | F17 | sing | 1.40Å | 1.35Å | |
| N18 | C19 | sing | 1.33Å | 1.42Å | Aromatic |
| C19 | C20 | doub | 1.35Å | 1.35Å | Aromatic |
| C19 | C21 | sing | 1.51Å | 1.50Å | |
| C21 | N22 | sing | 1.46Å | 1.46Å | |
| C21 | C26 | sing | 1.53Å | 1.56Å | |
| N22 | C34 | sing | 1.38Å | 1.29Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | C25 | sing | 1.53Å | 1.55Å | |
| C24 | C25 | sing | 1.53Å | 1.55Å | |
| C26 | C27 | sing | 1.53Å | 1.56Å | |
| C26 | C31 | sing | 1.53Å | 1.56Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C28 | C29 | sing | 1.53Å | 1.55Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| C29 | F32 | sing | 1.40Å | 1.36Å | |
| C29 | F33 | sing | 1.40Å | 1.35Å | |
| C30 | C31 | sing | 1.53Å | 1.55Å | |
| C34 | O35 | sing | 1.35Å | 1.33Å | Aromatic |
| C34 | N38 | doub | 1.31Å | 1.28Å | Aromatic |
| O35 | C36 | sing | 1.35Å | 1.33Å | Aromatic |
| C36 | N37 | doub | 1.30Å | 1.26Å | Aromatic |
| C36 | C39 | sing | 1.51Å | 1.51Å | |
| N37 | N38 | sing | 1.29Å | 1.41Å | Aromatic |
| C39 | C40 | sing | 1.53Å | 1.55Å | |
| C39 | F41 | sing | 1.40Å | 1.36Å | |
| C39 | F42 | sing | 1.40Å | 1.36Å | |
| C20 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C23 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C25 | H6 | sing | 1.09Å | 1.10Å | |
| C25 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C27 | H9 | sing | 1.09Å | 1.10Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C30 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.08Å | 1.08Å | |
| C6 | H16 | sing | 1.08Å | 1.08Å | |
| C7 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| N11 | H21 | sing | 0.97Å | 1.00Å | |
| N22 | H22 | sing | 0.97Å | 1.00Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C40 | H25 | sing | 1.09Å | 1.10Å | |
| C40 | H26 | sing | 1.09Å | 1.10Å | |
| C40 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | N2 | 120.5° | 119.1° |
| C6 | C1 | N18 | 129.3° | 132.9° |
| C1 | C6 | C5 | 117.1° | 119.1° |
| C1 | C6 | H16 | 121.4° | 120.4° |
| N2 | C1 | N18 | 110.2° | 108.0° |
| C1 | N2 | N3 | 122.5° | 119.9° |
| C1 | N2 | C20 | 108.8° | 107.0° |
| C1 | N18 | C19 | 109.0° | 109.1° |
| N3 | N2 | C20 | 128.6° | 133.1° |
| N2 | N3 | C4 | 120.8° | 120.7° |
| N2 | C20 | C19 | 109.8° | 107.2° |
| N2 | C20 | H1 | 125.1° | 126.4° |
| N3 | C4 | C5 | 121.1° | 121.0° |
| N3 | C4 | H15 | 119.5° | 119.5° |
| C4 | C5 | C6 | 117.7° | 120.2° |
| C4 | C5 | C7 | 119.1° | 119.9° |
| C5 | C4 | H15 | 119.4° | 119.6° |
| C6 | C5 | C7 | 122.9° | 119.9° |
| C5 | C6 | H16 | 121.5° | 120.5° |
| C5 | C7 | N8 | 104.9° | 109.5° |
| C5 | C7 | C23 | 114.6° | 109.5° |
| C5 | C7 | H17 | 108.1° | 109.5° |
| N8 | C7 | C23 | 112.6° | 109.5° |
| C7 | N8 | C9 | 123.6° | 125.4° |
| C7 | N8 | C12 | 123.6° | 125.4° |
| N8 | C7 | H17 | 108.7° | 109.5° |
| C7 | C23 | C24 | 117.2° | 117.5° |
| C7 | C23 | C25 | 119.5° | 117.5° |
| C7 | C23 | H3 | 116.0° | 115.5° |
| C23 | C7 | H17 | 107.7° | 109.5° |
| C9 | N8 | C12 | 112.7° | 109.2° |
| N8 | C9 | C10 | 102.3° | 103.8° |
| N8 | C9 | H18 | 111.2° | 110.6° |
| N8 | C9 | H19 | 111.2° | 110.6° |
| N8 | C12 | N11 | 109.2° | 113.9° |
| N8 | C12 | O13 | 126.8° | 123.0° |
| C9 | C10 | N11 | 102.5° | 103.8° |
| C9 | C10 | C14 | 107.2° | 110.5° |
| C10 | C9 | H18 | 111.2° | 110.5° |
| C10 | C9 | H19 | 111.2° | 110.5° |
| C9 | C10 | H20 | 112.0° | 110.6° |
| N11 | C10 | C14 | 108.8° | 110.3° |
| C10 | N11 | C12 | 113.1° | 109.2° |
| N11 | C10 | H20 | 113.7° | 110.8° |
| C10 | N11 | H21 | 123.5° | 125.3° |
| C10 | C14 | F15 | 107.0° | 109.5° |
| C10 | C14 | F16 | 113.4° | 109.4° |
| C10 | C14 | F17 | 112.9° | 109.4° |
| C14 | C10 | H20 | 112.0° | 110.6° |
| N11 | C12 | O13 | 124.0° | 123.1° |
| C12 | N11 | H21 | 123.4° | 125.4° |
| F15 | C14 | F16 | 106.2° | 109.5° |
| F15 | C14 | F17 | 110.6° | 109.5° |
| F16 | C14 | F17 | 106.6° | 109.5° |
| N18 | C19 | C20 | 102.2° | 108.6° |
| N18 | C19 | C21 | 127.6° | 125.7° |
| C20 | C19 | C21 | 130.1° | 125.7° |
| C19 | C20 | H1 | 125.1° | 126.4° |
| C19 | C21 | N22 | 107.2° | 109.5° |
| C19 | C21 | C26 | 111.7° | 109.5° |
| C19 | C21 | H2 | 109.5° | 109.5° |
| N22 | C21 | C26 | 109.6° | 109.5° |
| C21 | N22 | C34 | 120.4° | 120.1° |
| N22 | C21 | H2 | 110.1° | 109.5° |
| C21 | N22 | H22 | 106.7° | 120.0° |
| C21 | C26 | C27 | 110.0° | 109.5° |
| C21 | C26 | C31 | 112.7° | 109.5° |
| C26 | C21 | H2 | 108.7° | 109.4° |
| C21 | C26 | H8 | 107.0° | 109.4° |
| N22 | C34 | O35 | 121.3° | 126.4° |
| N22 | C34 | N38 | 124.9° | 126.3° |
| C34 | N22 | H22 | 106.7° | 119.9° |
| C24 | C23 | C25 | 60.3° | 60.0° |
| C23 | C24 | C25 | 59.9° | 60.0° |
| C24 | C23 | H3 | 116.2° | 117.5° |
| C23 | C24 | H4 | 120.0° | 117.5° |
| C23 | C24 | H5 | 120.0° | 117.5° |
| C23 | C25 | C24 | 59.8° | 60.0° |
| C25 | C23 | H3 | 116.1° | 117.5° |
| C23 | C25 | H6 | 120.0° | 117.5° |
| C23 | C25 | H7 | 120.0° | 117.5° |
| C25 | C24 | H4 | 120.0° | 117.5° |
| C25 | C24 | H5 | 120.0° | 117.5° |
| C24 | C25 | H6 | 120.0° | 117.5° |
| C24 | C25 | H7 | 120.0° | 117.5° |
| C27 | C26 | C31 | 112.8° | 109.5° |
| C26 | C27 | C28 | 109.2° | 109.5° |
| C27 | C26 | H8 | 107.0° | 109.5° |
| C26 | C27 | H9 | 109.5° | 109.4° |
| C26 | C27 | H10 | 109.6° | 109.4° |
| C26 | C31 | C30 | 112.2° | 109.5° |
| C31 | C26 | H8 | 107.0° | 109.5° |
| C26 | C31 | H23 | 108.8° | 109.5° |
| C26 | C31 | H24 | 108.8° | 109.5° |
| C27 | C28 | C29 | 109.2° | 109.5° |
| C28 | C27 | H9 | 109.6° | 109.5° |
| C28 | C27 | H10 | 109.5° | 109.5° |
| C27 | C28 | H11 | 109.5° | 109.5° |
| C27 | C28 | H12 | 109.5° | 109.5° |
| C28 | C29 | C30 | 112.2° | 109.4° |
| C28 | C29 | F32 | 110.3° | 109.5° |
| C28 | C29 | F33 | 108.9° | 109.5° |
| C29 | C28 | H11 | 109.5° | 109.4° |
| C29 | C28 | H12 | 109.5° | 109.4° |
| C30 | C29 | F32 | 109.7° | 109.5° |
| C30 | C29 | F33 | 107.7° | 109.5° |
| C29 | C30 | C31 | 110.9° | 109.5° |
| C29 | C30 | H13 | 109.1° | 109.5° |
| C29 | C30 | H14 | 109.1° | 109.5° |
| F32 | C29 | F33 | 107.8° | 109.5° |
| C31 | C30 | H13 | 109.1° | 109.5° |
| C31 | C30 | H14 | 109.1° | 109.5° |
| C30 | C31 | H23 | 108.8° | 109.4° |
| C30 | C31 | H24 | 108.8° | 109.5° |
| O35 | C34 | N38 | 113.7° | 107.2° |
| C34 | O35 | C36 | 101.7° | 106.3° |
| C34 | N38 | N37 | 104.8° | 109.3° |
| O35 | C36 | N37 | 114.4° | 107.5° |
| O35 | C36 | C39 | 118.4° | 126.2° |
| N37 | C36 | C39 | 127.1° | 126.3° |
| C36 | N37 | N38 | 105.1° | 109.6° |
| C36 | C39 | C40 | 113.8° | 109.4° |
| C36 | C39 | F41 | 109.2° | 109.5° |
| C36 | C39 | F42 | 106.3° | 109.5° |
| C40 | C39 | F41 | 108.6° | 109.5° |
| C40 | C39 | F42 | 111.5° | 109.5° |
| C39 | C40 | H25 | 109.5° | 109.4° |
| C39 | C40 | H26 | 109.5° | 109.5° |
| C39 | C40 | H27 | 109.5° | 109.5° |
| F41 | C39 | F42 | 107.2° | 109.5° |
| H4 | C24 | H5 | 109.5° | 115.5° |
| H6 | C25 | H7 | 109.5° | 115.6° |
| H9 | C27 | H10 | 109.5° | 109.5° |
| H11 | C28 | H12 | 109.5° | 109.5° |
| H13 | C30 | H14 | 109.5° | 109.5° |
| H18 | C9 | H19 | 109.4° | 110.6° |
| H23 | C31 | H24 | 109.5° | 109.4° |
| H25 | C40 | H26 | 109.5° | 109.5° |
| H25 | C40 | H27 | 109.5° | 109.5° |
| H26 | C40 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | N2 | N18 | 178.3° | 179.8° |
| C6 | C1 | N2 | N3 | 1.2° | 0.0° |
| C6 | C1 | N2 | C20 | 178.9° | 180.0° |
| C1 | C6 | C5 | C4 | 4.6° | 0.0° |
| C1 | C6 | C5 | H16 | 180.0° | 180.0° |
| C1 | C6 | C5 | C7 | 178.3° | 180.0° |
| C6 | C1 | N18 | C19 | 179.9° | 179.9° |
| C1 | N2 | N3 | C20 | 177.2° | 179.9° |
| C1 | N2 | N3 | C4 | 4.1° | 0.1° |
| N2 | C1 | C6 | C5 | 5.5° | 0.0° |
| N2 | C1 | N18 | C19 | 2.0° | 0.2° |
| C1 | N2 | C20 | C19 | 1.2° | 0.1° |
| C1 | N2 | C20 | H1 | 178.8° | 179.9° |
| N2 | C1 | C6 | H16 | 174.5° | 180.0° |
| N18 | C1 | N2 | N3 | 177.1° | 179.8° |
| N18 | C1 | N2 | C20 | 0.6° | 0.2° |
| N18 | C1 | C6 | C5 | 172.5° | 179.7° |
| C1 | N18 | C19 | C20 | 2.6° | 0.1° |
| C1 | N18 | C19 | C21 | 178.6° | 179.9° |
| N18 | C1 | C6 | H16 | 7.5° | 0.3° |
| N2 | N3 | C4 | C5 | 4.8° | 0.0° |
| N3 | N2 | C20 | C19 | 178.7° | 179.8° |
| N3 | N2 | C20 | H1 | 1.3° | 0.2° |
| N2 | N3 | C4 | H15 | 175.2° | 180.0° |
| C20 | N2 | N3 | C4 | 173.1° | 180.0° |
| N2 | C20 | C19 | N18 | 2.2° | 0.0° |
| N2 | C20 | C19 | H1 | 180.0° | 180.0° |
| N2 | C20 | C19 | C21 | 178.1° | 180.0° |
| N3 | C4 | C5 | H15 | 180.0° | 180.0° |
| N3 | C4 | C5 | C6 | 0.3° | 0.0° |
| N3 | C4 | C5 | C7 | 173.7° | 180.0° |
| C4 | C5 | C6 | C7 | 173.7° | 180.0° |
| C4 | C5 | C7 | N8 | 70.3° | 174.1° |
| C4 | C5 | C7 | C23 | 165.6° | 65.9° |
| C4 | C5 | C6 | H16 | 175.4° | 180.0° |
| C4 | C5 | C7 | H17 | 45.6° | 54.1° |
| C6 | C5 | C7 | N8 | 103.3° | 5.9° |
| C6 | C5 | C7 | C23 | 20.8° | 114.1° |
| C6 | C5 | C4 | H15 | 179.7° | 180.0° |
| C6 | C5 | C7 | H17 | 140.8° | 125.9° |
| C5 | C7 | N8 | C23 | 125.4° | 120.0° |
| C5 | C7 | N8 | H17 | 115.4° | 120.0° |
| C5 | C7 | C23 | H17 | 120.3° | 120.0° |
| C5 | C7 | N8 | C9 | 70.0° | 112.6° |
| C5 | C7 | N8 | C12 | 105.0° | 67.4° |
| C5 | C7 | C23 | C24 | 139.2° | 65.8° |
| C5 | C7 | C23 | C25 | 69.6° | 2.8° |
| C5 | C7 | C23 | H3 | 77.4° | 148.4° |
| C7 | C5 | C4 | H15 | 6.3° | 0.0° |
| C7 | C5 | C6 | H16 | 1.7° | 0.0° |
| N8 | C7 | C23 | H17 | 119.9° | 120.0° |
| C7 | N8 | C9 | C12 | 175.5° | 180.0° |
| C7 | N8 | C9 | C10 | 173.1° | 180.0° |
| C7 | N8 | C12 | N11 | 175.8° | 179.7° |
| C7 | N8 | C12 | O13 | 3.4° | 0.0° |
| N8 | C7 | C23 | C24 | 100.9° | 174.2° |
| N8 | C7 | C23 | C25 | 170.5° | 117.2° |
| N8 | C7 | C23 | H3 | 42.5° | 28.4° |
| C7 | N8 | C9 | H18 | 68.0° | 61.4° |
| C7 | N8 | C9 | H19 | 54.3° | 61.4° |
| C23 | C7 | N8 | C9 | 55.4° | 127.4° |
| C23 | C7 | N8 | C12 | 129.6° | 52.6° |
| C7 | C23 | C24 | C25 | 110.2° | 107.5° |
| C7 | C23 | C24 | H3 | 143.3° | 145.0° |
| C7 | C23 | C25 | H3 | 147.0° | 145.0° |
| C7 | C23 | C24 | H4 | 140.4° | 145.0° |
| C7 | C23 | C24 | H5 | 0.7° | 0.0° |
| C7 | C23 | C25 | H6 | 3.0° | 0.0° |
| C7 | C23 | C25 | H7 | 144.2° | 145.0° |
| N8 | C9 | C10 | H18 | 118.9° | 118.6° |
| N8 | C9 | C10 | H19 | 118.9° | 118.6° |
| N8 | C9 | C10 | N11 | 3.9° | 0.3° |
| N8 | C9 | C10 | C14 | 110.6° | 118.6° |
| C9 | N8 | C12 | N11 | 0.3° | 0.3° |
| C9 | N8 | C12 | O13 | 178.9° | 180.0° |
| C9 | N8 | C7 | H17 | 174.6° | 7.4° |
| N8 | C9 | H18 | H19 | 123.3° | 122.8° |
| N8 | C9 | C10 | H20 | 126.2° | 118.6° |
| C12 | N8 | C9 | C10 | 2.4° | 0.0° |
| N8 | C12 | N11 | C10 | 3.2° | 0.4° |
| N8 | C12 | N11 | O13 | 179.3° | 179.8° |
| C12 | N8 | C7 | H17 | 10.4° | 172.6° |
| C12 | N8 | C9 | H18 | 116.5° | 118.6° |
| C12 | N8 | C9 | H19 | 121.3° | 118.6° |
| N8 | C12 | N11 | H21 | 176.8° | 180.0° |
| C9 | C10 | N11 | C14 | 113.3° | 118.5° |
| C9 | C10 | N11 | H20 | 121.2° | 118.7° |
| C9 | C10 | C14 | H20 | 123.3° | 122.8° |
| C9 | C10 | N11 | C12 | 4.5° | 0.4° |
| C9 | C10 | C14 | F15 | 75.3° | 60.0° |
| C9 | C10 | C14 | F16 | 41.5° | 180.0° |
| C9 | C10 | C14 | F17 | 162.9° | 60.1° |
| C10 | C9 | H18 | H19 | 123.3° | 122.7° |
| C9 | C10 | N11 | H21 | 175.5° | 180.0° |
| N11 | C10 | C14 | H20 | 126.6° | 122.9° |
| C10 | N11 | C12 | H21 | 180.0° | 179.6° |
| C10 | N11 | C12 | O13 | 176.0° | 179.8° |
| N11 | C10 | C14 | F15 | 174.5° | 54.3° |
| N11 | C10 | C14 | F16 | 68.7° | 65.7° |
| N11 | C10 | C14 | F17 | 52.7° | 174.3° |
| N11 | C10 | C9 | H18 | 115.0° | 118.8° |
| N11 | C10 | C9 | H19 | 122.7° | 118.4° |
| C14 | C10 | N11 | C12 | 108.8° | 118.9° |
| C10 | C14 | F15 | F16 | 121.4° | 120.0° |
| C10 | C14 | F15 | F17 | 123.3° | 120.0° |
| C10 | C14 | F16 | F17 | 124.9° | 119.9° |
| C14 | C10 | C9 | H18 | 130.6° | 122.8° |
| C14 | C10 | C9 | H19 | 8.3° | 0.1° |
| C14 | C10 | N11 | H21 | 71.2° | 61.6° |
| C12 | N11 | C10 | H20 | 125.7° | 118.3° |
| O13 | C12 | N11 | H21 | 3.9° | 0.2° |
| F15 | C14 | F16 | F17 | 117.9° | 120.0° |
| F15 | C14 | C10 | H20 | 48.0° | 177.2° |
| F16 | C14 | C10 | H20 | 164.7° | 57.2° |
| F17 | C14 | C10 | H20 | 73.9° | 62.7° |
| N18 | C19 | C20 | C21 | 175.9° | 180.0° |
| N18 | C19 | C21 | N22 | 38.0° | 175.0° |
| N18 | C19 | C21 | C26 | 82.1° | 55.0° |
| N18 | C19 | C20 | H1 | 177.8° | 180.0° |
| N18 | C19 | C21 | H2 | 157.4° | 64.9° |
| C20 | C19 | C21 | N22 | 147.1° | 5.0° |
| C20 | C19 | C21 | C26 | 92.8° | 125.0° |
| C20 | C19 | C21 | H2 | 27.7° | 115.0° |
| C19 | C21 | N22 | C26 | 121.4° | 120.0° |
| C19 | C21 | N22 | H2 | 119.0° | 120.0° |
| C19 | C21 | C26 | H2 | 121.0° | 120.0° |
| C19 | C21 | N22 | C34 | 104.8° | 155.0° |
| C19 | C21 | C26 | C27 | 179.3° | 180.0° |
| C19 | C21 | C26 | C31 | 52.5° | 60.0° |
| C21 | C19 | C20 | H1 | 1.9° | 0.0° |
| C19 | C21 | C26 | H8 | 64.8° | 60.0° |
| C19 | C21 | N22 | H22 | 16.7° | 25.0° |
| N22 | C21 | C26 | H2 | 120.3° | 120.0° |
| C21 | N22 | C34 | H22 | 121.6° | 180.0° |
| N22 | C21 | C26 | C27 | 62.0° | 60.0° |
| N22 | C21 | C26 | C31 | 171.2° | 180.0° |
| C21 | N22 | C34 | O35 | 178.8° | 180.0° |
| C21 | N22 | C34 | N38 | 0.2° | 0.3° |
| N22 | C21 | C26 | H8 | 53.9° | 60.0° |
| C26 | C21 | N22 | C34 | 133.7° | 85.0° |
| C21 | C26 | C27 | C31 | 126.7° | 120.0° |
| C21 | C26 | C27 | H8 | 115.9° | 120.0° |
| C21 | C26 | C31 | H8 | 117.3° | 119.9° |
| C21 | C26 | C27 | C28 | 177.1° | 180.0° |
| C21 | C26 | C31 | C30 | 177.2° | 179.9° |
| C21 | C26 | C27 | H9 | 62.9° | 60.0° |
| C21 | C26 | C27 | H10 | 57.2° | 60.0° |
| C26 | C21 | N22 | H22 | 104.7° | 95.0° |
| C21 | C26 | C31 | H23 | 62.4° | 60.0° |
| C21 | C26 | C31 | H24 | 56.8° | 60.0° |
| N22 | C34 | O35 | N38 | 179.1° | 179.7° |
| N22 | C34 | O35 | C36 | 178.4° | 180.0° |
| N22 | C34 | N38 | N37 | 179.2° | 179.8° |
| C34 | N22 | C21 | H2 | 14.2° | 35.0° |
| C24 | C23 | C25 | H3 | 106.6° | 107.5° |
| C23 | C24 | C25 | H4 | 109.5° | 107.5° |
| C23 | C24 | C25 | H5 | 109.4° | 107.4° |
| C23 | C24 | H4 | H5 | 144.8° | 145.6° |
| C24 | C23 | C25 | H6 | 109.4° | 107.5° |
| C24 | C23 | C25 | H7 | 109.4° | 107.4° |
| C24 | C23 | C7 | H17 | 19.0° | 54.2° |
| C23 | C25 | H6 | H7 | 144.9° | 145.7° |
| C25 | C23 | C7 | H17 | 50.6° | 122.8° |
| C25 | C24 | H4 | H5 | 144.8° | 145.7° |
| C24 | C25 | H6 | H7 | 144.9° | 145.7° |
| C27 | C26 | C31 | H8 | 117.4° | 120.0° |
| C26 | C27 | C28 | H9 | 119.9° | 120.0° |
| C26 | C27 | C28 | H10 | 120.0° | 120.0° |
| C26 | C27 | C28 | C29 | 59.3° | 60.0° |
| C27 | C26 | C31 | C30 | 51.9° | 60.0° |
| C27 | C26 | C21 | H2 | 58.3° | 60.0° |
| C26 | C27 | H9 | H10 | 120.1° | 119.9° |
| C26 | C27 | C28 | H11 | 179.2° | 180.0° |
| C26 | C27 | C28 | H12 | 60.7° | 60.0° |
| C27 | C26 | C31 | H23 | 172.3° | 180.0° |
| C27 | C26 | C31 | H24 | 68.6° | 60.0° |
| C31 | C26 | C27 | C28 | 56.2° | 60.0° |
| C26 | C31 | C30 | C29 | 50.2° | 60.0° |
| C26 | C31 | C30 | H23 | 120.4° | 120.0° |
| C26 | C31 | C30 | H24 | 120.4° | 120.0° |
| C31 | C26 | C21 | H2 | 68.5° | 60.0° |
| C31 | C26 | C27 | H9 | 63.8° | 60.0° |
| C31 | C26 | C27 | H10 | 176.1° | 180.0° |
| C26 | C31 | C30 | H13 | 170.5° | 180.0° |
| C26 | C31 | C30 | H14 | 70.0° | 60.0° |
| C26 | C31 | H23 | H24 | 118.7° | 120.1° |
| C27 | C28 | C29 | H11 | 119.9° | 120.0° |
| C27 | C28 | C29 | H12 | 119.9° | 120.0° |
| C27 | C28 | C29 | C30 | 60.5° | 60.0° |
| C27 | C28 | C29 | F32 | 62.2° | 60.0° |
| C27 | C28 | C29 | F33 | 179.6° | 180.0° |
| C28 | C27 | C26 | H8 | 61.2° | 60.0° |
| C28 | C27 | H9 | H10 | 120.1° | 120.0° |
| C27 | C28 | H11 | H12 | 120.1° | 120.0° |
| C28 | C29 | C30 | F32 | 123.0° | 120.0° |
| C28 | C29 | C30 | F33 | 119.9° | 120.0° |
| C28 | C29 | F32 | F33 | 118.8° | 120.0° |
| C28 | C29 | C30 | C31 | 55.4° | 60.0° |
| C29 | C28 | C27 | H9 | 60.7° | 60.0° |
| C29 | C28 | C27 | H10 | 179.3° | 180.0° |
| C29 | C28 | H11 | H12 | 120.2° | 119.9° |
| C28 | C29 | C30 | H13 | 175.6° | 180.0° |
| C28 | C29 | C30 | H14 | 64.8° | 60.0° |
| C30 | C29 | F32 | F33 | 117.1° | 120.0° |
| C29 | C30 | C31 | H13 | 120.2° | 120.0° |
| C29 | C30 | C31 | H14 | 120.2° | 120.0° |
| C30 | C29 | C28 | H11 | 179.6° | 180.0° |
| C30 | C29 | C28 | H12 | 59.5° | 60.0° |
| C29 | C30 | H13 | H14 | 119.3° | 120.0° |
| C29 | C30 | C31 | H23 | 170.7° | 180.0° |
| C29 | C30 | C31 | H24 | 70.2° | 60.0° |
| F32 | C29 | C30 | C31 | 67.6° | 60.0° |
| F32 | C29 | C28 | H11 | 57.7° | 60.0° |
| F32 | C29 | C28 | H12 | 177.9° | 180.0° |
| F32 | C29 | C30 | H13 | 52.6° | 60.0° |
| F32 | C29 | C30 | H14 | 172.2° | 180.0° |
| F33 | C29 | C30 | C31 | 175.2° | 180.0° |
| F33 | C29 | C28 | H11 | 60.4° | 60.0° |
| F33 | C29 | C28 | H12 | 59.7° | 60.0° |
| F33 | C29 | C30 | H13 | 64.5° | 60.0° |
| F33 | C29 | C30 | H14 | 55.1° | 60.0° |
| C30 | C31 | C26 | H8 | 65.6° | 60.0° |
| C31 | C30 | H13 | H14 | 119.3° | 120.0° |
| C30 | C31 | H23 | H24 | 118.7° | 119.9° |
| C34 | O35 | C36 | N37 | 3.4° | 0.0° |
| C34 | O35 | C36 | C39 | 179.9° | 180.0° |
| O35 | C34 | N38 | N37 | 1.8° | 0.5° |
| O35 | C34 | N22 | H22 | 57.2° | 0.0° |
| N38 | C34 | O35 | C36 | 0.7° | 0.3° |
| C34 | N38 | N37 | C36 | 3.7° | 0.5° |
| N38 | C34 | N22 | H22 | 121.8° | 179.6° |
| O35 | C36 | N37 | C39 | 176.4° | 179.9° |
| O35 | C36 | N37 | N38 | 4.5° | 0.3° |
| O35 | C36 | C39 | C40 | 175.7° | 120.0° |
| O35 | C36 | C39 | F41 | 62.8° | 120.0° |
| O35 | C36 | C39 | F42 | 52.5° | 0.0° |
| N37 | C36 | C39 | C40 | 0.6° | 60.0° |
| N37 | C36 | C39 | F41 | 120.9° | 59.9° |
| N37 | C36 | C39 | F42 | 123.7° | 180.0° |
| C39 | C36 | N37 | N38 | 179.1° | 179.7° |
| C36 | C39 | C40 | F41 | 121.9° | 120.0° |
| C36 | C39 | C40 | F42 | 120.2° | 120.0° |
| C36 | C39 | F41 | F42 | 114.8° | 120.0° |
| C36 | C39 | C40 | H25 | 180.0° | 60.0° |
| C36 | C39 | C40 | H26 | 60.0° | 180.0° |
| C36 | C39 | C40 | H27 | 60.0° | 60.0° |
| C40 | C39 | F41 | F42 | 120.6° | 120.0° |
| C39 | C40 | H25 | H26 | 120.0° | 119.9° |
| C39 | C40 | H25 | H27 | 120.0° | 120.0° |
| C39 | C40 | H26 | H27 | 120.0° | 120.0° |
| F41 | C39 | C40 | H25 | 58.1° | 60.0° |
| F41 | C39 | C40 | H26 | 178.1° | 60.0° |
| F41 | C39 | C40 | H27 | 61.9° | 180.0° |
| F42 | C39 | C40 | H25 | 59.8° | 180.0° |
| F42 | C39 | C40 | H26 | 60.2° | 60.0° |
| F42 | C39 | C40 | H27 | 179.8° | 60.0° |
| H2 | C21 | C26 | H8 | 174.2° | 180.0° |
| H2 | C21 | N22 | H22 | 135.7° | 145.1° |
| H3 | C23 | C24 | H4 | 2.9° | 0.0° |
| H3 | C23 | C24 | H5 | 144.0° | 145.0° |
| H3 | C23 | C25 | H6 | 144.0° | 145.0° |
| H3 | C23 | C25 | H7 | 2.8° | 0.1° |
| H3 | C23 | C7 | H17 | 162.3° | 91.6° |
| H4 | C24 | C25 | H6 | 141.1° | 145.0° |
| H4 | C24 | C25 | H7 | 0.0° | 0.0° |
| H5 | C24 | C25 | H6 | 0.0° | 0.1° |
| H5 | C24 | C25 | H7 | 141.1° | 145.1° |
| H8 | C26 | C27 | H9 | 178.8° | 180.0° |
| H8 | C26 | C27 | H10 | 58.7° | 60.0° |
| H8 | C26 | C31 | H23 | 54.9° | 59.9° |
| H8 | C26 | C31 | H24 | 174.0° | 180.0° |
| H9 | C27 | C28 | H11 | 59.3° | 60.0° |
| H9 | C27 | C28 | H12 | 179.4° | NaN° |
| H10 | C27 | C28 | H11 | 60.8° | 60.0° |
| H10 | C27 | C28 | H12 | 59.3° | 60.0° |
| H13 | C30 | C31 | H23 | 69.1° | 60.0° |
| H13 | C30 | C31 | H24 | 50.1° | 60.0° |
| H14 | C30 | C31 | H23 | 50.5° | 60.0° |
| H14 | C30 | C31 | H24 | 169.6° | 179.9° |
| H18 | C9 | C10 | H20 | 7.3° | 0.0° |
| H19 | C9 | C10 | H20 | 114.9° | 122.8° |
| H20 | C10 | N11 | H21 | 54.4° | 61.3° |
| H25 | C40 | H26 | H27 | 120.0° | 120.1° |
