QFY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C22 | doub | 1.37Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.37Å | 1.43Å | Aromatic |
| C22 | N5 | sing | 1.34Å | 1.37Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.42Å | Aromatic |
| N5 | FE1 | sing | 2.08Å | 2.18Å | |
| N5 | C18 | doub | 1.34Å | 1.35Å | Aromatic |
| FE1 | N3 | sing | 2.26Å | 2.15Å | |
| FE1 | N4 | sing | 2.07Å | 2.23Å | |
| C19 | C18 | sing | 1.38Å | 1.42Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.47Å | |
| O1 | C1 | doub | 1.24Å | 1.26Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C24 | N6 | sing | 1.47Å | 1.47Å | |
| N3 | C17 | sing | 1.49Å | 1.49Å | |
| N3 | C23 | sing | 1.48Å | 1.43Å | |
| N3 | C11 | sing | 1.48Å | 1.56Å | |
| C16 | N4 | doub | 1.34Å | 1.34Å | Aromatic |
| C16 | C15 | sing | 1.37Å | 1.42Å | Aromatic |
| N4 | C12 | sing | 1.34Å | 1.32Å | Aromatic |
| C1 | N6 | sing | 1.35Å | 1.36Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C2 | C3 | sing | 1.52Å | 1.52Å | |
| C15 | C14 | doub | 1.37Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C12 | C13 | doub | 1.39Å | 1.42Å | Aromatic |
| C3 | C4 | sing | 1.54Å | 1.56Å | |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.54Å | 1.52Å | |
| C5 | C6 | sing | 1.54Å | 1.55Å | |
| C6 | C10 | sing | 1.57Å | 1.54Å | |
| C6 | S1 | sing | 1.82Å | 1.80Å | |
| C10 | N2 | sing | 1.45Å | 1.47Å | |
| C10 | C8 | sing | 1.55Å | 1.60Å | |
| N2 | C9 | sing | 1.35Å | 1.30Å | |
| S1 | C7 | sing | 1.79Å | 1.79Å | |
| C9 | O2 | doub | 1.24Å | 1.25Å | |
| C9 | N1 | sing | 1.35Å | 1.34Å | |
| C8 | C7 | sing | 1.53Å | 1.58Å | |
| C8 | N1 | sing | 1.45Å | 1.46Å | |
| C10 | H1 | sing | 0.99Å | 1.10Å | |
| C15 | H2 | sing | 0.94Å | 1.08Å | |
| C17 | H3 | sing | 1.00Å | 1.10Å | |
| C17 | H4 | sing | 0.99Å | 1.10Å | |
| C11 | H5 | sing | 0.99Å | 1.10Å | |
| C11 | H6 | sing | 1.00Å | 1.10Å | |
| C14 | H7 | sing | 0.94Å | 1.08Å | |
| N1 | H8 | sing | 0.86Å | 1.00Å | |
| N2 | H9 | sing | 0.86Å | 1.00Å | |
| C8 | H10 | sing | 0.99Å | 1.10Å | |
| C7 | H11 | sing | 0.99Å | 1.10Å | |
| C7 | H12 | sing | 0.99Å | 1.10Å | |
| C6 | H13 | sing | 1.00Å | 1.10Å | |
| C5 | H14 | sing | 0.98Å | 1.10Å | |
| C5 | H15 | sing | 0.98Å | 1.10Å | |
| C4 | H16 | sing | 0.98Å | 1.10Å | |
| C4 | H17 | sing | 0.98Å | 1.10Å | |
| C3 | H18 | sing | 0.98Å | 1.10Å | |
| C3 | H19 | sing | 0.98Å | 1.10Å | |
| C2 | H20 | sing | 0.98Å | 1.10Å | |
| C2 | H21 | sing | 0.98Å | 1.10Å | |
| C24 | H22 | sing | 0.98Å | 1.10Å | |
| C24 | H23 | sing | 0.98Å | 1.10Å | |
| N6 | H24 | sing | 0.88Å | 1.00Å | |
| C23 | H25 | sing | 0.98Å | 1.10Å | |
| C23 | H26 | sing | 0.98Å | 1.10Å | |
| C16 | H27 | sing | 0.94Å | 1.08Å | |
| C13 | H28 | sing | 0.93Å | 1.08Å | |
| C22 | H29 | sing | 0.94Å | 1.08Å | |
| C21 | H30 | sing | 0.94Å | 1.08Å | |
| C20 | H31 | sing | 0.94Å | 1.08Å | |
| C19 | H32 | sing | 0.93Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | C20 | 119.2° | 118.4° |
| C21 | C22 | N5 | 118.5° | 123.4° |
| C21 | C22 | H29 | 120.8° | 118.5° |
| C22 | C21 | H30 | 120.4° | 120.7° |
| C21 | C20 | C19 | 121.9° | 119.2° |
| C20 | C21 | H30 | 120.4° | 120.8° |
| C21 | C20 | H31 | 119.1° | 120.3° |
| C22 | N5 | FE1 | 122.7° | 124.8° |
| C22 | N5 | C18 | 122.2° | 118.0° |
| N5 | C22 | H29 | 120.8° | 118.1° |
| C20 | C19 | C18 | 114.4° | 119.0° |
| C19 | C20 | H31 | 119.1° | 120.4° |
| C20 | C19 | H32 | 122.8° | 120.7° |
| FE1 | N5 | C18 | 114.7° | 116.9° |
| N5 | FE1 | N3 | 75.7° | 77.6° |
| N5 | FE1 | N4 | 103.6° | 100.9° |
| N5 | C18 | C19 | 123.7° | 122.0° |
| N5 | C18 | C17 | 116.4° | 115.7° |
| N3 | FE1 | N4 | 71.1° | 78.8° |
| FE1 | N3 | C17 | 108.9° | 103.8° |
| FE1 | N3 | C23 | 132.5° | 107.1° |
| FE1 | N3 | C11 | 108.4° | 107.2° |
| FE1 | N4 | C16 | 118.4° | 122.7° |
| FE1 | N4 | C12 | 121.6° | 118.8° |
| C19 | C18 | C17 | 119.8° | 122.3° |
| C18 | C19 | H32 | 122.8° | 120.4° |
| C18 | C17 | N3 | 108.7° | 112.7° |
| C18 | C17 | H3 | 109.6° | 109.3° |
| C18 | C17 | H4 | 109.7° | 108.2° |
| O1 | C1 | N6 | 120.4° | 122.4° |
| O1 | C1 | C2 | 123.8° | 120.2° |
| C23 | C24 | N6 | 105.9° | 110.8° |
| C24 | C23 | N3 | 113.2° | 116.4° |
| C23 | C24 | H22 | 110.4° | 109.4° |
| C23 | C24 | H23 | 110.3° | 109.8° |
| C24 | C23 | H25 | 108.5° | 108.2° |
| C24 | C23 | H26 | 108.5° | 107.2° |
| C24 | N6 | C1 | 120.0° | 126.3° |
| N6 | C24 | H22 | 110.3° | 109.2° |
| N6 | C24 | H23 | 110.4° | 109.7° |
| C24 | N6 | H24 | 120.0° | 115.7° |
| C17 | N3 | C23 | 104.4° | 113.5° |
| C17 | N3 | C11 | 106.5° | 112.0° |
| N3 | C17 | H3 | 109.7° | 110.0° |
| N3 | C17 | H4 | 109.6° | 110.3° |
| C23 | N3 | C11 | 93.0° | 112.5° |
| N3 | C23 | H25 | 108.5° | 108.9° |
| N3 | C23 | H26 | 108.5° | 108.8° |
| N3 | C11 | C12 | 110.0° | 113.6° |
| N3 | C11 | H5 | 109.3° | 110.4° |
| N3 | C11 | H6 | 109.4° | 110.3° |
| N4 | C16 | C15 | 119.6° | 123.4° |
| C16 | N4 | C12 | 119.5° | 118.0° |
| N4 | C16 | H27 | 120.2° | 118.1° |
| C16 | C15 | C14 | 120.6° | 118.4° |
| C16 | C15 | H2 | 119.7° | 120.7° |
| C15 | C16 | H27 | 120.2° | 118.5° |
| N4 | C12 | C11 | 109.2° | 116.2° |
| N4 | C12 | C13 | 124.8° | 121.9° |
| N6 | C1 | C2 | 115.7° | 117.4° |
| C1 | N6 | H24 | 120.0° | 118.0° |
| C1 | C2 | C3 | 112.1° | 112.6° |
| C1 | C2 | H20 | 108.8° | 109.2° |
| C1 | C2 | H21 | 108.8° | 108.9° |
| C2 | C3 | C4 | 111.1° | 116.7° |
| C2 | C3 | H18 | 109.1° | 108.4° |
| C2 | C3 | H19 | 109.0° | 108.3° |
| C3 | C2 | H20 | 108.8° | 109.1° |
| C3 | C2 | H21 | 108.8° | 109.1° |
| C15 | C14 | C13 | 119.5° | 119.2° |
| C14 | C15 | H2 | 119.7° | 120.9° |
| C15 | C14 | H7 | 120.3° | 120.4° |
| C11 | C12 | C13 | 126.0° | 121.9° |
| C12 | C11 | H5 | 109.3° | 108.0° |
| C12 | C11 | H6 | 109.3° | 109.1° |
| C12 | C13 | C14 | 115.6° | 119.0° |
| C12 | C13 | H28 | 122.2° | 120.3° |
| C3 | C4 | C5 | 109.8° | 117.0° |
| C3 | C4 | H16 | 109.4° | 107.9° |
| C3 | C4 | H17 | 109.4° | 108.3° |
| C4 | C3 | H18 | 109.0° | 108.6° |
| C4 | C3 | H19 | 109.0° | 107.7° |
| C13 | C14 | H7 | 120.3° | 120.3° |
| C14 | C13 | H28 | 122.2° | 120.6° |
| C4 | C5 | C6 | 112.1° | 117.6° |
| C4 | C5 | H14 | 108.8° | 107.8° |
| C4 | C5 | H15 | 108.8° | 108.2° |
| C5 | C4 | H16 | 109.4° | 108.8° |
| C5 | C4 | H17 | 109.4° | 108.3° |
| C5 | C6 | C10 | 112.6° | 118.9° |
| C5 | C6 | S1 | 116.9° | 112.3° |
| C5 | C6 | H13 | 107.4° | 107.5° |
| C6 | C5 | H14 | 108.8° | 107.8° |
| C6 | C5 | H15 | 108.8° | 108.1° |
| C10 | C6 | S1 | 106.9° | 102.4° |
| C6 | C10 | N2 | 113.5° | 116.3° |
| C6 | C10 | C8 | 107.9° | 108.1° |
| C6 | C10 | H1 | 111.5° | 110.1° |
| C10 | C6 | H13 | 107.6° | 107.5° |
| C6 | S1 | C7 | 89.0° | 90.3° |
| S1 | C6 | H13 | 104.9° | 107.7° |
| N2 | C10 | C8 | 100.3° | 102.1° |
| C10 | N2 | C9 | 111.4° | 113.7° |
| N2 | C10 | H1 | 112.5° | 109.6° |
| C10 | N2 | H9 | 124.3° | 124.9° |
| C10 | C8 | C7 | 106.2° | 109.5° |
| C10 | C8 | N1 | 104.5° | 102.7° |
| C8 | C10 | H1 | 110.5° | 110.2° |
| C10 | C8 | H10 | 111.1° | 110.7° |
| N2 | C9 | O2 | 123.7° | 126.1° |
| N2 | C9 | N1 | 116.0° | 107.9° |
| C9 | N2 | H9 | 124.3° | 121.5° |
| S1 | C7 | C8 | 106.9° | 106.4° |
| S1 | C7 | H11 | 110.1° | 110.5° |
| S1 | C7 | H12 | 110.1° | 110.5° |
| O2 | C9 | N1 | 120.2° | 126.0° |
| C9 | N1 | C8 | 107.7° | 113.3° |
| C9 | N1 | H8 | 126.1° | 122.2° |
| C7 | C8 | N1 | 109.9° | 113.1° |
| C7 | C8 | H10 | 111.4° | 110.6° |
| C8 | C7 | H11 | 110.1° | 110.5° |
| C8 | C7 | H12 | 110.1° | 110.5° |
| C8 | N1 | H8 | 126.1° | 124.5° |
| N1 | C8 | H10 | 113.2° | 110.1° |
| H3 | C17 | H4 | 109.5° | 106.1° |
| H5 | C11 | H6 | 109.5° | 105.1° |
| H11 | C7 | H12 | 109.5° | 108.6° |
| H14 | C5 | H15 | 109.5° | 106.9° |
| H16 | C4 | H17 | 109.5° | 106.0° |
| H18 | C3 | H19 | 109.5° | 106.8° |
| H20 | C2 | H21 | 109.5° | 107.8° |
| H22 | C24 | H23 | 109.5° | 107.9° |
| H25 | C23 | H26 | 109.5° | 106.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | C20 | H30 | 180.0° | 179.9° |
| C21 | C22 | N5 | H29 | 180.0° | 179.7° |
| C22 | C21 | C20 | C19 | 0.8° | 0.1° |
| C21 | C22 | N5 | FE1 | 176.6° | 172.9° |
| C21 | C22 | N5 | C18 | 3.4° | 0.3° |
| C22 | C21 | C20 | H31 | 179.2° | 179.9° |
| C20 | C21 | C22 | N5 | 2.5° | 0.2° |
| C21 | C20 | C19 | H31 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 0.0° | 0.0° |
| C20 | C21 | C22 | H29 | 177.5° | 179.9° |
| C21 | C20 | C19 | H32 | 180.0° | 179.9° |
| C22 | N5 | FE1 | C18 | 173.7° | 173.3° |
| C22 | N5 | FE1 | N3 | 159.0° | 165.3° |
| C22 | N5 | FE1 | N4 | 135.0° | 89.5° |
| C22 | N5 | C18 | C19 | 2.7° | 0.2° |
| C22 | N5 | C18 | C17 | 179.4° | 179.8° |
| N5 | C22 | C21 | H30 | 177.5° | 179.9° |
| C20 | C19 | C18 | N5 | 0.9° | 0.1° |
| C20 | C19 | C18 | H32 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 178.7° | 180.0° |
| C19 | C20 | C21 | H30 | 179.1° | 180.0° |
| N5 | FE1 | N3 | N4 | 110.2° | 104.0° |
| FE1 | N5 | C18 | C19 | 176.4° | 173.5° |
| FE1 | N5 | C18 | C17 | 5.7° | 6.4° |
| N5 | FE1 | N3 | C17 | 30.9° | 30.5° |
| N5 | FE1 | N3 | C23 | 101.2° | 150.9° |
| N5 | FE1 | N3 | C11 | 146.4° | 88.2° |
| N5 | FE1 | N4 | C16 | 91.5° | 118.3° |
| N5 | FE1 | N4 | C12 | 96.0° | 70.7° |
| FE1 | N5 | C22 | H29 | 3.3° | 6.8° |
| C18 | N5 | FE1 | N3 | 14.6° | 21.4° |
| C18 | N5 | FE1 | N4 | 51.4° | 97.2° |
| N5 | C18 | C19 | C17 | 177.8° | 179.9° |
| N5 | C18 | C17 | N3 | 32.4° | 23.1° |
| N5 | C18 | C17 | H3 | 87.5° | 145.8° |
| N5 | C18 | C17 | H4 | 152.2° | 99.1° |
| C18 | N5 | C22 | H29 | 176.5° | 180.0° |
| N5 | C18 | C19 | H32 | 179.1° | 180.0° |
| FE1 | N3 | C17 | C18 | 42.9° | 36.7° |
| FE1 | N3 | C23 | C24 | 30.8° | 31.8° |
| FE1 | N3 | C17 | C23 | 145.7° | 115.9° |
| FE1 | N3 | C17 | C11 | 116.7° | 115.3° |
| FE1 | N3 | C23 | C11 | 118.5° | 117.6° |
| N3 | FE1 | N4 | C16 | 160.9° | 166.9° |
| N3 | FE1 | N4 | C12 | 26.6° | 4.1° |
| FE1 | N3 | C11 | C12 | 47.3° | 24.8° |
| FE1 | N3 | C17 | H3 | 77.0° | 159.0° |
| FE1 | N3 | C17 | H4 | 162.8° | 84.3° |
| FE1 | N3 | C11 | H5 | 167.4° | 96.6° |
| FE1 | N3 | C11 | H6 | 72.8° | 147.6° |
| FE1 | N3 | C23 | H25 | 89.8° | 154.4° |
| FE1 | N3 | C23 | H26 | 151.3° | 89.4° |
| N4 | FE1 | N3 | C17 | 79.3° | 134.5° |
| N4 | FE1 | N3 | C23 | 148.6° | 105.2° |
| N4 | FE1 | N3 | C11 | 36.2° | 15.8° |
| FE1 | N4 | C16 | C12 | 172.6° | 171.1° |
| FE1 | N4 | C16 | C15 | 177.5° | 170.9° |
| FE1 | N4 | C12 | C11 | 6.8° | 9.0° |
| FE1 | N4 | C12 | C13 | 172.0° | 171.6° |
| FE1 | N4 | C16 | H27 | 2.4° | 8.6° |
| C19 | C18 | C17 | N3 | 149.6° | 157.0° |
| C19 | C18 | C17 | H3 | 90.5° | 34.3° |
| C19 | C18 | C17 | H4 | 29.8° | 80.8° |
| C18 | C19 | C20 | H31 | 180.0° | 180.0° |
| C18 | C17 | N3 | H3 | 119.9° | 122.3° |
| C18 | C17 | N3 | H4 | 119.9° | 121.0° |
| C18 | C17 | N3 | C23 | 102.8° | 152.7° |
| C18 | C17 | N3 | C11 | 159.7° | 78.6° |
| C18 | C17 | H3 | H4 | 120.4° | 116.4° |
| C17 | C18 | C19 | H32 | 1.3° | 0.1° |
| O1 | C1 | N6 | C24 | 12.4° | 3.3° |
| O1 | C1 | N6 | C2 | 175.8° | 178.6° |
| O1 | C1 | C2 | C3 | 35.0° | 93.7° |
| O1 | C1 | C2 | H20 | 85.4° | 144.9° |
| O1 | C1 | C2 | H21 | 155.4° | 27.4° |
| O1 | C1 | N6 | H24 | 167.6° | 176.4° |
| C23 | C24 | N6 | H22 | 119.5° | 120.6° |
| C23 | C24 | N6 | H23 | 119.4° | 121.4° |
| C24 | C23 | N3 | C17 | 164.4° | 82.2° |
| C24 | C23 | N3 | H25 | 120.6° | 122.6° |
| C24 | C23 | N3 | H26 | 120.5° | 121.2° |
| C24 | C23 | N3 | C11 | 87.7° | 149.3° |
| C23 | C24 | N6 | C1 | 69.6° | 103.6° |
| C23 | C24 | H22 | H23 | 121.6° | 119.5° |
| C23 | C24 | N6 | H24 | 110.4° | 76.7° |
| C24 | C23 | H25 | H26 | 118.3° | 115.1° |
| N6 | C24 | C23 | N3 | 159.6° | 166.9° |
| C24 | N6 | C1 | H24 | 180.0° | 179.7° |
| C24 | N6 | C1 | C2 | 171.8° | 175.3° |
| N6 | C24 | H22 | H23 | 121.7° | 119.1° |
| N6 | C24 | C23 | H25 | 79.9° | 70.2° |
| N6 | C24 | C23 | H26 | 39.0° | 44.8° |
| C17 | N3 | C23 | C11 | 107.9° | 128.5° |
| C17 | N3 | C11 | C12 | 69.8° | 138.0° |
| N3 | C17 | H3 | H4 | 120.3° | 119.3° |
| C17 | N3 | C11 | H5 | 50.3° | 16.6° |
| C17 | N3 | C11 | H6 | 170.2° | 99.2° |
| C17 | N3 | C23 | H25 | 43.8° | 40.4° |
| C17 | N3 | C23 | H26 | 75.1° | 156.6° |
| C23 | N3 | C11 | C12 | 175.7° | 92.7° |
| C23 | N3 | C17 | H3 | 137.4° | 85.0° |
| C23 | N3 | C17 | H4 | 17.1° | 31.6° |
| C23 | N3 | C11 | H5 | 55.7° | 145.9° |
| C23 | N3 | C11 | H6 | 64.2° | 30.1° |
| N3 | C23 | C24 | H22 | 81.0° | 72.7° |
| N3 | C23 | C24 | H23 | 40.1° | 45.6° |
| N3 | C23 | H25 | H26 | 118.3° | 117.4° |
| N3 | C11 | C12 | N4 | 25.9° | 23.8° |
| N3 | C11 | C12 | H5 | 120.1° | 122.8° |
| N3 | C11 | C12 | H6 | 120.1° | 123.4° |
| N3 | C11 | C12 | C13 | 155.3° | 156.9° |
| C11 | N3 | C17 | H3 | 39.8° | 43.7° |
| C11 | N3 | C17 | H4 | 80.5° | 160.3° |
| N3 | C11 | H5 | H6 | 119.8° | 118.9° |
| C11 | N3 | C23 | H25 | 151.7° | 88.1° |
| C11 | N3 | C23 | H26 | 32.8° | 28.1° |
| N4 | C16 | C15 | H27 | 180.0° | 179.6° |
| N4 | C16 | C15 | C14 | 4.7° | 0.3° |
| C16 | N4 | C12 | C11 | 179.1° | 179.5° |
| C16 | N4 | C12 | C13 | 0.4° | 0.2° |
| N4 | C16 | C15 | H2 | 175.3° | 179.8° |
| C15 | C16 | N4 | C12 | 4.9° | 0.2° |
| C16 | C15 | C14 | H2 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 0.9° | 0.1° |
| C16 | C15 | C14 | H7 | 179.1° | 179.9° |
| N4 | C12 | C11 | C13 | 178.8° | 179.3° |
| N4 | C12 | C13 | C14 | 5.8° | 0.3° |
| N4 | C12 | C11 | H5 | 146.0° | 99.0° |
| N4 | C12 | C11 | H6 | 94.1° | 147.2° |
| C12 | N4 | C16 | H27 | 175.1° | 179.8° |
| N4 | C12 | C13 | H28 | 174.2° | 179.9° |
| N6 | C1 | C2 | C3 | 140.7° | 84.9° |
| N6 | C1 | C2 | H20 | 99.0° | 36.4° |
| N6 | C1 | C2 | H21 | 20.3° | 154.0° |
| C1 | N6 | C24 | H22 | 49.9° | 135.8° |
| C1 | N6 | C24 | H23 | 171.0° | 17.8° |
| C1 | C2 | C3 | H20 | 120.4° | 121.4° |
| C1 | C2 | C3 | H21 | 120.4° | 121.0° |
| C1 | C2 | C3 | C4 | 71.6° | 178.8° |
| C1 | C2 | C3 | H18 | 48.6° | 55.9° |
| C1 | C2 | C3 | H19 | 168.1° | 59.5° |
| C1 | C2 | H20 | H21 | 118.8° | 118.2° |
| C2 | C1 | N6 | H24 | 8.2° | 5.0° |
| C2 | C3 | C4 | H18 | 120.2° | 122.8° |
| C2 | C3 | C4 | H19 | 120.2° | 122.0° |
| C2 | C3 | C4 | C5 | 179.1° | 86.5° |
| C2 | C3 | C4 | H16 | 60.8° | 150.5° |
| C2 | C3 | C4 | H17 | 59.1° | 36.2° |
| C2 | C3 | H18 | H19 | 119.2° | 116.4° |
| C3 | C2 | H20 | H21 | 118.8° | 118.3° |
| C15 | C14 | C13 | C12 | 5.7° | 0.2° |
| C15 | C14 | C13 | H7 | 180.0° | 180.0° |
| C14 | C15 | C16 | H27 | 175.3° | 179.9° |
| C15 | C14 | C13 | H28 | 174.3° | 180.0° |
| C11 | C12 | C13 | C14 | 175.6° | 179.6° |
| C12 | C11 | H5 | H6 | 119.7° | 116.4° |
| C11 | C12 | C13 | H28 | 4.4° | 0.6° |
| C12 | C13 | C14 | H28 | 180.0° | 179.8° |
| C13 | C12 | C11 | H5 | 35.2° | 80.3° |
| C13 | C12 | C11 | H6 | 84.6° | 33.4° |
| C12 | C13 | C14 | H7 | 174.3° | 179.8° |
| C3 | C4 | C5 | H16 | 120.0° | 122.5° |
| C3 | C4 | C5 | H17 | 120.0° | 122.7° |
| C3 | C4 | C5 | C6 | 174.0° | 82.6° |
| C3 | C4 | C5 | H14 | 65.6° | 155.4° |
| C3 | C4 | C5 | H15 | 53.6° | 40.1° |
| C3 | C4 | H16 | H17 | 119.9° | 115.8° |
| C4 | C3 | H18 | H19 | 119.2° | 115.9° |
| C4 | C3 | C2 | H20 | 168.0° | 59.7° |
| C4 | C3 | C2 | H21 | 48.8° | 57.8° |
| C13 | C14 | C15 | H2 | 179.1° | 180.0° |
| C4 | C5 | C6 | H14 | 120.4° | 122.0° |
| C4 | C5 | C6 | H15 | 120.4° | 122.8° |
| C4 | C5 | C6 | C10 | 165.6° | 167.4° |
| C4 | C5 | C6 | S1 | 70.0° | 73.2° |
| C4 | C5 | C6 | H13 | 47.4° | 45.1° |
| C4 | C5 | H14 | H15 | 118.8° | 116.1° |
| C5 | C4 | H16 | H17 | 119.9° | 116.3° |
| C5 | C4 | C3 | H18 | 58.9° | 36.3° |
| C5 | C4 | C3 | H19 | 60.6° | 151.5° |
| C5 | C6 | C10 | S1 | 129.7° | 124.4° |
| C5 | C6 | C10 | H13 | 118.1° | 122.3° |
| C5 | C6 | S1 | H13 | 118.8° | 118.2° |
| C5 | C6 | C10 | N2 | 51.8° | 46.6° |
| C5 | C6 | C10 | C8 | 162.1° | 160.6° |
| C5 | C6 | S1 | C7 | 171.3° | 173.0° |
| C5 | C6 | C10 | H1 | 76.4° | 78.9° |
| C6 | C5 | H14 | H15 | 118.8° | 116.0° |
| C6 | C5 | C4 | H16 | 54.0° | 39.9° |
| C6 | C5 | C4 | H17 | 65.9° | 154.7° |
| C10 | C6 | S1 | H13 | 114.0° | 113.2° |
| C6 | C10 | N2 | C8 | 114.8° | 117.4° |
| C6 | C10 | N2 | H1 | 127.7° | 125.7° |
| C6 | C10 | C8 | H1 | 122.1° | 120.4° |
| C6 | C10 | N2 | C9 | 113.9° | 122.0° |
| C10 | C6 | S1 | C7 | 44.1° | 44.4° |
| C6 | C10 | C8 | C7 | 2.1° | 8.4° |
| C6 | C10 | C8 | N1 | 118.3° | 128.8° |
| C6 | C10 | N2 | H9 | 66.0° | 59.0° |
| C6 | C10 | C8 | H10 | 119.2° | 113.7° |
| C10 | C6 | C5 | H14 | 45.3° | 70.6° |
| C10 | C6 | C5 | H15 | 74.0° | 44.6° |
| S1 | C6 | C10 | N2 | 77.8° | 77.8° |
| S1 | C6 | C10 | C8 | 32.4° | 36.3° |
| C6 | S1 | C7 | C8 | 42.5° | 40.8° |
| S1 | C6 | C10 | H1 | 153.9° | 156.8° |
| C6 | S1 | C7 | H11 | 162.1° | 79.1° |
| C6 | S1 | C7 | H12 | 77.1° | 160.7° |
| S1 | C6 | C5 | H14 | 169.6° | 48.8° |
| S1 | C6 | C5 | H15 | 50.3° | 164.0° |
| N2 | C10 | C8 | H1 | 118.9° | 116.4° |
| C10 | N2 | C9 | H9 | 180.0° | 179.1° |
| C10 | N2 | C9 | O2 | 177.4° | 178.3° |
| C10 | N2 | C9 | N1 | 0.8° | 1.4° |
| N2 | C10 | C8 | C7 | 116.9° | 114.8° |
| N2 | C10 | C8 | N1 | 0.7° | 5.6° |
| N2 | C10 | C8 | H10 | 121.8° | 123.1° |
| N2 | C10 | C6 | H13 | 170.0° | 168.9° |
| C8 | C10 | N2 | C9 | 0.9° | 4.6° |
| C10 | C8 | C7 | S1 | 29.2° | 24.2° |
| C10 | C8 | N1 | C9 | 0.4° | 5.4° |
| C10 | C8 | C7 | N1 | 112.5° | 113.8° |
| C10 | C8 | C7 | H10 | 121.1° | 122.2° |
| C10 | C8 | N1 | H10 | 121.1° | 117.9° |
| C10 | C8 | N1 | H8 | 179.6° | 174.6° |
| C8 | C10 | N2 | H9 | 179.2° | 176.4° |
| C10 | C8 | C7 | H11 | 148.8° | 95.7° |
| C10 | C8 | C7 | H12 | 90.4° | 144.1° |
| C8 | C10 | C6 | H13 | 79.8° | 77.0° |
| N2 | C9 | O2 | N1 | 176.5° | 179.6° |
| N2 | C9 | N1 | C8 | 0.2° | 2.8° |
| C9 | N2 | C10 | H1 | 118.3° | 112.3° |
| N2 | C9 | N1 | H8 | 179.8° | 177.2° |
| S1 | C7 | C8 | H11 | 119.6° | 119.9° |
| S1 | C7 | C8 | H12 | 119.6° | 119.9° |
| S1 | C7 | C8 | N1 | 83.3° | 89.6° |
| S1 | C7 | C8 | H10 | 150.3° | 146.4° |
| S1 | C7 | H11 | H12 | 121.2° | 121.3° |
| C7 | S1 | C6 | H13 | 69.9° | 68.8° |
| O2 | C9 | N1 | C8 | 177.0° | 177.5° |
| O2 | C9 | N1 | H8 | 3.1° | 2.5° |
| O2 | C9 | N2 | H9 | 2.6° | 0.8° |
| C9 | N1 | C8 | C7 | 114.0° | 112.4° |
| C9 | N1 | C8 | H8 | 180.0° | 180.0° |
| N1 | C9 | N2 | H9 | 179.3° | 179.5° |
| C9 | N1 | C8 | H10 | 120.7° | 123.4° |
| C7 | C8 | N1 | H10 | 125.3° | 124.2° |
| C7 | C8 | C10 | H1 | 124.1° | 128.8° |
| C7 | C8 | N1 | H8 | 66.0° | 67.6° |
| C8 | C7 | H11 | H12 | 121.2° | 121.3° |
| N1 | C8 | C10 | H1 | 119.6° | 110.8° |
| N1 | C8 | C7 | H11 | 36.2° | 150.5° |
| N1 | C8 | C7 | H12 | 157.1° | 30.3° |
| H1 | C10 | N2 | H9 | 61.7° | 66.7° |
| H1 | C10 | C8 | H10 | 2.9° | 6.7° |
| H1 | C10 | C6 | H13 | 41.7° | 43.4° |
| H2 | C15 | C14 | H7 | 0.9° | 0.1° |
| H2 | C15 | C16 | H27 | 4.7° | 0.3° |
| H7 | C14 | C13 | H28 | 5.8° | 0.0° |
| H8 | N1 | C8 | H10 | 59.3° | 56.6° |
| H10 | C8 | C7 | H11 | 90.1° | 26.5° |
| H10 | C8 | C7 | H12 | 30.7° | 93.7° |
| H13 | C6 | C5 | H14 | 73.0° | 167.1° |
| H13 | C6 | C5 | H15 | 167.8° | 77.7° |
| H14 | C5 | C4 | H16 | 174.3° | 82.1° |
| H14 | C5 | C4 | H17 | 54.4° | 32.7° |
| H15 | C5 | C4 | H16 | 66.4° | 162.7° |
| H15 | C5 | C4 | H17 | 173.7° | 82.5° |
| H16 | C4 | C3 | H18 | 178.9° | 86.7° |
| H16 | C4 | C3 | H19 | 59.4° | 28.5° |
| H17 | C4 | C3 | H18 | 61.2° | 159.0° |
| H17 | C4 | C3 | H19 | 179.3° | 85.8° |
| H18 | C3 | C2 | H20 | 71.8° | 177.4° |
| H18 | C3 | C2 | H21 | 169.0° | 65.1° |
| H19 | C3 | C2 | H20 | 47.8° | 61.9° |
| H19 | C3 | C2 | H21 | 71.5° | 179.5° |
| H22 | C24 | N6 | H24 | 130.1° | 43.9° |
| H22 | C24 | C23 | H25 | 39.5° | 50.2° |
| H22 | C24 | C23 | H26 | 158.4° | 165.2° |
| H23 | C24 | N6 | H24 | 9.0° | 161.9° |
| H23 | C24 | C23 | H25 | 160.6° | 168.5° |
| H23 | C24 | C23 | H26 | 80.5° | 76.5° |
| H29 | C22 | C21 | H30 | 2.5° | 0.2° |
| H30 | C21 | C20 | H31 | 0.8° | 0.0° |
| H31 | C20 | C19 | H32 | 0.0° | 0.1° |
