QFY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.43Å | Aromatic |
| C22 | N5 | sing | 1.30Å | 1.37Å | Aromatic |
| C20 | C19 | doub | 1.37Å | 1.42Å | Aromatic |
| N5 | FE1 | sing | 1.82Å | 2.18Å | |
| N5 | C18 | doub | 1.37Å | 1.35Å | Aromatic |
| FE1 | N3 | sing | 1.97Å | 2.15Å | |
| FE1 | N4 | sing | 1.82Å | 2.23Å | |
| C19 | C18 | sing | 1.40Å | 1.42Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.47Å | |
| O1 | C1 | doub | 1.21Å | 1.26Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C24 | N6 | sing | 1.47Å | 1.47Å | |
| N3 | C17 | sing | 1.47Å | 1.49Å | |
| N3 | C23 | sing | 1.47Å | 1.43Å | |
| N3 | C11 | sing | 1.47Å | 1.56Å | |
| C16 | N4 | doub | 1.30Å | 1.34Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.42Å | Aromatic |
| N4 | C12 | sing | 1.37Å | 1.32Å | Aromatic |
| C1 | N6 | sing | 1.35Å | 1.36Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.53Å | 1.50Å | |
| C12 | C13 | doub | 1.40Å | 1.42Å | Aromatic |
| C3 | C4 | sing | 1.53Å | 1.56Å | |
| C14 | C13 | sing | 1.37Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C6 | C10 | sing | 1.54Å | 1.54Å | |
| C6 | S1 | sing | 1.84Å | 1.80Å | |
| C10 | N2 | sing | 1.47Å | 1.47Å | |
| C10 | C8 | sing | 1.53Å | 1.60Å | |
| N2 | C9 | sing | 1.34Å | 1.30Å | |
| S1 | C7 | sing | 1.84Å | 1.79Å | |
| C9 | O2 | doub | 1.22Å | 1.25Å | |
| C9 | N1 | sing | 1.34Å | 1.34Å | |
| C8 | C7 | sing | 1.54Å | 1.58Å | |
| C8 | N1 | sing | 1.47Å | 1.46Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| C4 | H16 | sing | 1.09Å | 1.10Å | |
| C4 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| N6 | H24 | sing | 0.97Å | 1.00Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.08Å | 1.08Å | |
| C13 | H28 | sing | 1.08Å | 1.08Å | |
| C22 | H29 | sing | 1.08Å | 1.08Å | |
| C21 | H30 | sing | 1.08Å | 1.08Å | |
| C20 | H31 | sing | 1.08Å | 1.08Å | |
| C19 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | C20 | 119.2° | 117.5° |
| C21 | C22 | N5 | 118.5° | 122.5° |
| C21 | C22 | H29 | 120.8° | 118.8° |
| C22 | C21 | H30 | 120.4° | 121.2° |
| C21 | C20 | C19 | 121.9° | 119.1° |
| C20 | C21 | H30 | 120.4° | 121.3° |
| C21 | C20 | H31 | 119.1° | 120.5° |
| C22 | N5 | FE1 | 122.7° | 139.9° |
| C22 | N5 | C18 | 122.2° | 123.2° |
| N5 | C22 | H29 | 120.8° | 118.8° |
| C20 | C19 | C18 | 114.4° | 122.3° |
| C19 | C20 | H31 | 119.1° | 120.4° |
| C20 | C19 | H32 | 122.8° | 118.9° |
| FE1 | N5 | C18 | 114.7° | 96.9° |
| N5 | FE1 | N3 | 75.7° | 104.9° |
| N5 | FE1 | N4 | 103.6° | 150.1° |
| N5 | C18 | C19 | 123.7° | 115.4° |
| N5 | C18 | C17 | 116.4° | 120.7° |
| N3 | FE1 | N4 | 71.1° | 104.8° |
| FE1 | N3 | C17 | 108.9° | 88.5° |
| FE1 | N3 | C23 | 132.5° | 120.4° |
| FE1 | N3 | C11 | 108.4° | 88.7° |
| FE1 | N4 | C16 | 118.4° | 139.8° |
| FE1 | N4 | C12 | 121.6° | 96.9° |
| C19 | C18 | C17 | 119.8° | 123.9° |
| C18 | C19 | H32 | 122.8° | 118.8° |
| C18 | C17 | N3 | 108.7° | 119.8° |
| C18 | C17 | H3 | 109.6° | 108.3° |
| C18 | C17 | H4 | 109.7° | 106.1° |
| O1 | C1 | N6 | 120.4° | 120.0° |
| O1 | C1 | C2 | 123.8° | 120.0° |
| C23 | C24 | N6 | 105.9° | 109.5° |
| C24 | C23 | N3 | 113.2° | 109.5° |
| C23 | C24 | H22 | 110.4° | 109.5° |
| C23 | C24 | H23 | 110.3° | 109.5° |
| C24 | C23 | H25 | 108.5° | 109.5° |
| C24 | C23 | H26 | 108.5° | 109.5° |
| C24 | N6 | C1 | 120.0° | 120.0° |
| N6 | C24 | H22 | 110.3° | 109.5° |
| N6 | C24 | H23 | 110.4° | 109.4° |
| C24 | N6 | H24 | 120.0° | 120.0° |
| C17 | N3 | C23 | 104.4° | 114.4° |
| C17 | N3 | C11 | 106.5° | 124.6° |
| N3 | C17 | H3 | 109.7° | 107.5° |
| N3 | C17 | H4 | 109.6° | 107.5° |
| C23 | N3 | C11 | 93.0° | 114.4° |
| N3 | C23 | H25 | 108.5° | 109.4° |
| N3 | C23 | H26 | 108.5° | 109.4° |
| N3 | C11 | C12 | 110.0° | 119.4° |
| N3 | C11 | H5 | 109.3° | 107.5° |
| N3 | C11 | H6 | 109.4° | 107.4° |
| N4 | C16 | C15 | 119.6° | 122.4° |
| C16 | N4 | C12 | 119.5° | 123.3° |
| N4 | C16 | H27 | 120.2° | 118.8° |
| C16 | C15 | C14 | 120.6° | 117.5° |
| C16 | C15 | H2 | 119.7° | 121.3° |
| C15 | C16 | H27 | 120.2° | 118.8° |
| N4 | C12 | C11 | 109.2° | 120.8° |
| N4 | C12 | C13 | 124.8° | 115.4° |
| N6 | C1 | C2 | 115.7° | 120.0° |
| C1 | N6 | H24 | 120.0° | 120.0° |
| C1 | C2 | C3 | 112.1° | 109.5° |
| C1 | C2 | H20 | 108.8° | 109.5° |
| C1 | C2 | H21 | 108.8° | 109.4° |
| C2 | C3 | C4 | 111.1° | 109.5° |
| C2 | C3 | H18 | 109.1° | 109.5° |
| C2 | C3 | H19 | 109.0° | 109.4° |
| C3 | C2 | H20 | 108.8° | 109.5° |
| C3 | C2 | H21 | 108.8° | 109.5° |
| C15 | C14 | C13 | 119.5° | 119.1° |
| C14 | C15 | H2 | 119.7° | 121.2° |
| C15 | C14 | H7 | 120.3° | 120.5° |
| C11 | C12 | C13 | 126.0° | 123.8° |
| C12 | C11 | H5 | 109.3° | 107.5° |
| C12 | C11 | H6 | 109.3° | 107.4° |
| C12 | C13 | C14 | 115.6° | 122.3° |
| C12 | C13 | H28 | 122.2° | 118.9° |
| C3 | C4 | C5 | 109.8° | 109.5° |
| C3 | C4 | H16 | 109.4° | 109.5° |
| C3 | C4 | H17 | 109.4° | 109.5° |
| C4 | C3 | H18 | 109.0° | 109.5° |
| C4 | C3 | H19 | 109.0° | 109.5° |
| C13 | C14 | H7 | 120.3° | 120.5° |
| C14 | C13 | H28 | 122.2° | 118.8° |
| C4 | C5 | C6 | 112.1° | 109.5° |
| C4 | C5 | H14 | 108.8° | 109.5° |
| C4 | C5 | H15 | 108.8° | 109.5° |
| C5 | C4 | H16 | 109.4° | 109.5° |
| C5 | C4 | H17 | 109.4° | 109.5° |
| C5 | C6 | C10 | 112.6° | 110.8° |
| C5 | C6 | S1 | 116.9° | 110.7° |
| C5 | C6 | H13 | 107.4° | 110.8° |
| C6 | C5 | H14 | 108.8° | 109.4° |
| C6 | C5 | H15 | 108.8° | 109.4° |
| C10 | C6 | S1 | 106.9° | 102.7° |
| C6 | C10 | N2 | 113.5° | 109.2° |
| C6 | C10 | C8 | 107.9° | 112.4° |
| C6 | C10 | H1 | 111.5° | 110.5° |
| C10 | C6 | H13 | 107.6° | 110.8° |
| C6 | S1 | C7 | 89.0° | 94.8° |
| S1 | C6 | H13 | 104.9° | 110.7° |
| N2 | C10 | C8 | 100.3° | 104.0° |
| C10 | N2 | C9 | 111.4° | 109.0° |
| N2 | C10 | H1 | 112.5° | 110.3° |
| C10 | N2 | H9 | 124.3° | 125.5° |
| C10 | C8 | C7 | 106.2° | 112.4° |
| C10 | C8 | N1 | 104.5° | 104.0° |
| C8 | C10 | H1 | 110.5° | 110.3° |
| C10 | C8 | H10 | 111.1° | 110.3° |
| N2 | C9 | O2 | 123.7° | 123.0° |
| N2 | C9 | N1 | 116.0° | 113.9° |
| C9 | N2 | H9 | 124.3° | 125.5° |
| S1 | C7 | C8 | 106.9° | 102.7° |
| S1 | C7 | H11 | 110.1° | 110.7° |
| S1 | C7 | H12 | 110.1° | 110.9° |
| O2 | C9 | N1 | 120.2° | 123.1° |
| C9 | N1 | C8 | 107.7° | 109.0° |
| C9 | N1 | H8 | 126.1° | 125.5° |
| C7 | C8 | N1 | 109.9° | 109.2° |
| C7 | C8 | H10 | 111.4° | 110.3° |
| C8 | C7 | H11 | 110.1° | 110.7° |
| C8 | C7 | H12 | 110.1° | 110.8° |
| C8 | N1 | H8 | 126.1° | 125.5° |
| N1 | C8 | H10 | 113.2° | 110.6° |
| H3 | C17 | H4 | 109.5° | 107.1° |
| H5 | C11 | H6 | 109.5° | 107.1° |
| H11 | C7 | H12 | 109.5° | 110.7° |
| H14 | C5 | H15 | 109.5° | 109.5° |
| H16 | C4 | H17 | 109.5° | 109.4° |
| H18 | C3 | H19 | 109.5° | 109.5° |
| H20 | C2 | H21 | 109.5° | 109.4° |
| H22 | C24 | H23 | 109.5° | 109.5° |
| H25 | C23 | H26 | 109.5° | 109.5° |
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° | 180.0° |
| C22 | C21 | C20 | C19 | 0.8° | 0.1° |
| C21 | C22 | N5 | FE1 | 176.6° | 179.8° |
| C21 | C22 | N5 | C18 | 3.4° | 0.3° |
| C22 | C21 | C20 | H31 | 179.2° | 179.9° |
| C20 | C21 | C22 | N5 | 2.5° | 0.0° |
| C21 | C20 | C19 | H31 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 0.0° | 0.1° |
| C20 | C21 | C22 | H29 | 177.5° | 180.0° |
| C21 | C20 | C19 | H32 | 180.0° | 180.0° |
| C22 | N5 | FE1 | C18 | 173.7° | 179.9° |
| C22 | N5 | FE1 | N3 | 159.0° | 164.1° |
| C22 | N5 | FE1 | N4 | 135.0° | 21.7° |
| C22 | N5 | C18 | C19 | 2.7° | 0.4° |
| C22 | N5 | C18 | C17 | 179.4° | 179.5° |
| N5 | C22 | C21 | H30 | 177.5° | 180.0° |
| C20 | C19 | C18 | N5 | 0.9° | 0.3° |
| C20 | C19 | C18 | H32 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 178.7° | 179.6° |
| C19 | C20 | C21 | H30 | 179.1° | 179.9° |
| N5 | FE1 | N3 | N4 | 110.2° | 177.0° |
| FE1 | N5 | C18 | C19 | 176.4° | 179.6° |
| FE1 | N5 | C18 | C17 | 5.7° | 0.5° |
| N5 | FE1 | N3 | C17 | 30.9° | 25.9° |
| N5 | FE1 | N3 | C23 | 101.2° | 91.7° |
| N5 | FE1 | N3 | C11 | 146.4° | 150.6° |
| N5 | FE1 | N4 | C16 | 91.5° | 22.5° |
| N5 | FE1 | N4 | C12 | 96.0° | 158.0° |
| FE1 | N5 | C22 | H29 | 3.3° | 0.2° |
| C18 | N5 | FE1 | N3 | 14.6° | 16.0° |
| C18 | N5 | FE1 | N4 | 51.4° | 158.3° |
| N5 | C18 | C19 | C17 | 177.8° | 179.9° |
| N5 | C18 | C17 | N3 | 32.4° | 25.3° |
| N5 | C18 | C17 | H3 | 87.5° | 148.9° |
| N5 | C18 | C17 | H4 | 152.2° | 96.4° |
| C18 | N5 | C22 | H29 | 176.5° | 179.7° |
| N5 | C18 | C19 | H32 | 179.1° | 179.8° |
| FE1 | N3 | C17 | C18 | 42.9° | 29.4° |
| FE1 | N3 | C23 | C24 | 30.8° | 164.2° |
| FE1 | N3 | C17 | C23 | 145.7° | 123.0° |
| FE1 | N3 | C17 | C11 | 116.7° | 87.4° |
| FE1 | N3 | C23 | C11 | 118.5° | 103.7° |
| N3 | FE1 | N4 | C16 | 160.9° | 163.3° |
| N3 | FE1 | N4 | C12 | 26.6° | 16.2° |
| FE1 | N3 | C11 | C12 | 47.3° | 29.8° |
| FE1 | N3 | C17 | H3 | 77.0° | 153.5° |
| FE1 | N3 | C17 | H4 | 162.8° | 91.6° |
| FE1 | N3 | C11 | H5 | 167.4° | 152.4° |
| FE1 | N3 | C11 | H6 | 72.8° | 92.7° |
| FE1 | N3 | C23 | H25 | 89.8° | 75.8° |
| FE1 | N3 | C23 | H26 | 151.3° | 44.2° |
| N4 | FE1 | N3 | C17 | 79.3° | 151.1° |
| N4 | FE1 | N3 | C23 | 148.6° | 91.3° |
| N4 | FE1 | N3 | C11 | 36.2° | 26.4° |
| FE1 | N4 | C16 | C12 | 172.6° | 179.5° |
| FE1 | N4 | C16 | C15 | 177.5° | 179.8° |
| FE1 | N4 | C12 | C11 | 6.8° | 0.5° |
| FE1 | N4 | C12 | C13 | 172.0° | 179.9° |
| FE1 | N4 | C16 | H27 | 2.4° | 0.3° |
| C19 | C18 | C17 | N3 | 149.6° | 154.9° |
| C19 | C18 | C17 | H3 | 90.5° | 31.2° |
| C19 | C18 | C17 | H4 | 29.8° | 83.5° |
| C18 | C19 | C20 | H31 | 180.0° | 180.0° |
| C18 | C17 | N3 | H3 | 119.9° | 124.1° |
| C18 | C17 | N3 | H4 | 119.9° | 121.0° |
| C18 | C17 | N3 | C23 | 102.8° | 93.6° |
| C18 | C17 | N3 | C11 | 159.7° | 116.7° |
| C18 | C17 | H3 | H4 | 120.4° | 114.0° |
| C17 | C18 | C19 | H32 | 1.3° | 0.3° |
| O1 | C1 | N6 | C24 | 12.4° | 0.1° |
| O1 | C1 | N6 | C2 | 175.8° | 179.9° |
| O1 | C1 | C2 | C3 | 35.0° | 0.0° |
| O1 | C1 | C2 | H20 | 85.4° | 120.0° |
| O1 | C1 | C2 | H21 | 155.4° | 120.1° |
| O1 | C1 | N6 | H24 | 167.6° | 180.0° |
| C23 | C24 | N6 | H22 | 119.5° | 120.0° |
| C23 | C24 | N6 | H23 | 119.4° | 120.0° |
| C24 | C23 | N3 | C17 | 164.4° | 60.8° |
| C24 | C23 | N3 | H25 | 120.6° | 120.0° |
| C24 | C23 | N3 | H26 | 120.5° | 120.0° |
| C24 | C23 | N3 | C11 | 87.7° | 92.1° |
| C23 | C24 | N6 | C1 | 69.6° | 180.0° |
| C23 | C24 | H22 | H23 | 121.6° | 120.0° |
| C23 | C24 | N6 | H24 | 110.4° | 0.0° |
| C24 | C23 | H25 | H26 | 118.3° | 120.0° |
| N6 | C24 | C23 | N3 | 159.6° | 180.0° |
| C24 | N6 | C1 | H24 | 180.0° | 179.9° |
| C24 | N6 | C1 | C2 | 171.8° | 180.0° |
| N6 | C24 | H22 | H23 | 121.7° | 119.9° |
| N6 | C24 | C23 | H25 | 79.9° | 60.0° |
| N6 | C24 | C23 | H26 | 39.0° | 60.0° |
| C17 | N3 | C23 | C11 | 107.9° | 152.9° |
| C17 | N3 | C11 | C12 | 69.8° | 117.0° |
| N3 | C17 | H3 | H4 | 120.3° | 115.2° |
| C17 | N3 | C11 | H5 | 50.3° | 120.4° |
| C17 | N3 | C11 | H6 | 170.2° | 5.4° |
| C17 | N3 | C23 | H25 | 43.8° | 179.3° |
| C17 | N3 | C23 | H26 | 75.1° | 59.2° |
| C23 | N3 | C11 | C12 | 175.7° | 93.3° |
| C23 | N3 | C17 | H3 | 137.4° | 30.5° |
| C23 | N3 | C17 | H4 | 17.1° | 145.5° |
| C23 | N3 | C11 | H5 | 55.7° | 29.3° |
| C23 | N3 | C11 | H6 | 64.2° | 144.3° |
| N3 | C23 | C24 | H22 | 81.0° | 60.0° |
| N3 | C23 | C24 | H23 | 40.1° | 60.0° |
| N3 | C23 | H25 | H26 | 118.3° | 120.0° |
| N3 | C11 | C12 | N4 | 25.9° | 25.5° |
| N3 | C11 | C12 | H5 | 120.1° | 122.6° |
| N3 | C11 | C12 | H6 | 120.1° | 122.4° |
| N3 | C11 | C12 | C13 | 155.3° | 155.0° |
| C11 | N3 | C17 | H3 | 39.8° | 119.2° |
| C11 | N3 | C17 | H4 | 80.5° | 4.2° |
| N3 | C11 | H5 | H6 | 119.8° | 115.1° |
| C11 | N3 | C23 | H25 | 151.7° | 27.9° |
| C11 | N3 | C23 | H26 | 32.8° | 147.9° |
| N4 | C16 | C15 | H27 | 180.0° | 179.9° |
| N4 | C16 | C15 | C14 | 4.7° | 0.0° |
| C16 | N4 | C12 | C11 | 179.1° | 179.9° |
| C16 | N4 | C12 | C13 | 0.4° | 0.4° |
| N4 | C16 | C15 | H2 | 175.3° | 179.7° |
| C15 | C16 | N4 | C12 | 4.9° | 0.3° |
| C16 | C15 | C14 | H2 | 180.0° | 179.8° |
| C16 | C15 | C14 | C13 | 0.9° | 0.1° |
| C16 | C15 | C14 | H7 | 179.1° | 179.9° |
| N4 | C12 | C11 | C13 | 178.8° | 179.4° |
| N4 | C12 | C13 | C14 | 5.8° | 0.2° |
| N4 | C12 | C11 | H5 | 146.0° | 148.1° |
| N4 | C12 | C11 | H6 | 94.1° | 96.9° |
| C12 | N4 | C16 | H27 | 175.1° | 179.7° |
| N4 | C12 | C13 | H28 | 174.2° | 179.8° |
| N6 | C1 | C2 | C3 | 140.7° | 180.0° |
| N6 | C1 | C2 | H20 | 99.0° | 59.9° |
| N6 | C1 | C2 | H21 | 20.3° | 60.0° |
| C1 | N6 | C24 | H22 | 49.9° | 59.9° |
| C1 | N6 | C24 | H23 | 171.0° | 60.0° |
| C1 | C2 | C3 | H20 | 120.4° | 120.0° |
| C1 | C2 | C3 | H21 | 120.4° | 120.0° |
| C1 | C2 | C3 | C4 | 71.6° | 180.0° |
| C1 | C2 | C3 | H18 | 48.6° | 60.0° |
| C1 | C2 | C3 | H19 | 168.1° | 60.0° |
| C1 | C2 | H20 | H21 | 118.8° | 119.9° |
| C2 | C1 | N6 | H24 | 8.2° | 0.1° |
| C2 | C3 | C4 | H18 | 120.2° | 120.0° |
| C2 | C3 | C4 | H19 | 120.2° | 120.0° |
| C2 | C3 | C4 | C5 | 179.1° | 180.0° |
| C2 | C3 | C4 | H16 | 60.8° | 60.0° |
| C2 | C3 | C4 | H17 | 59.1° | 60.0° |
| C2 | C3 | H18 | H19 | 119.2° | 120.0° |
| C3 | C2 | H20 | H21 | 118.8° | 120.0° |
| C15 | C14 | C13 | C12 | 5.7° | 0.0° |
| C15 | C14 | C13 | H7 | 180.0° | 179.9° |
| C14 | C15 | C16 | H27 | 175.3° | 180.0° |
| C15 | C14 | C13 | H28 | 174.3° | 179.5° |
| C11 | C12 | C13 | C14 | 175.6° | 179.7° |
| C12 | C11 | H5 | H6 | 119.7° | 115.2° |
| C11 | C12 | C13 | H28 | 4.4° | 0.8° |
| C12 | C13 | C14 | H28 | 180.0° | 179.5° |
| C13 | C12 | C11 | H5 | 35.2° | 32.4° |
| C13 | C12 | C11 | H6 | 84.6° | 82.5° |
| C12 | C13 | C14 | H7 | 174.3° | 180.0° |
| C3 | C4 | C5 | H16 | 120.0° | 120.0° |
| C3 | C4 | C5 | H17 | 120.0° | 120.0° |
| C3 | C4 | C5 | C6 | 174.0° | 180.0° |
| C3 | C4 | C5 | H14 | 65.6° | 60.0° |
| C3 | C4 | C5 | H15 | 53.6° | 60.0° |
| C3 | C4 | H16 | H17 | 119.9° | 120.0° |
| C4 | C3 | H18 | H19 | 119.2° | 120.0° |
| C4 | C3 | C2 | H20 | 168.0° | 60.0° |
| C4 | C3 | C2 | H21 | 48.8° | 60.0° |
| C13 | C14 | C15 | H2 | 179.1° | 179.9° |
| C4 | C5 | C6 | H14 | 120.4° | 120.0° |
| C4 | C5 | C6 | H15 | 120.4° | 120.0° |
| C4 | C5 | C6 | C10 | 165.6° | 175.0° |
| C4 | C5 | C6 | S1 | 70.0° | 71.7° |
| C4 | C5 | C6 | H13 | 47.4° | 51.6° |
| C4 | C5 | H14 | H15 | 118.8° | 120.0° |
| C5 | C4 | H16 | H17 | 119.9° | 120.0° |
| C5 | C4 | C3 | H18 | 58.9° | 60.0° |
| C5 | C4 | C3 | H19 | 60.6° | 60.0° |
| C5 | C6 | C10 | S1 | 129.7° | 118.3° |
| C5 | C6 | C10 | H13 | 118.1° | 123.4° |
| C5 | C6 | S1 | H13 | 118.8° | 123.3° |
| C5 | C6 | C10 | N2 | 51.8° | 28.0° |
| C5 | C6 | C10 | C8 | 162.1° | 143.0° |
| C5 | C6 | S1 | C7 | 171.3° | 153.0° |
| C5 | C6 | C10 | H1 | 76.4° | 93.4° |
| C6 | C5 | H14 | H15 | 118.8° | 120.0° |
| C6 | C5 | C4 | H16 | 54.0° | 60.0° |
| C6 | C5 | C4 | H17 | 65.9° | 60.0° |
| C10 | C6 | S1 | H13 | 114.0° | 118.4° |
| C6 | C10 | N2 | C8 | 114.8° | 120.2° |
| C6 | C10 | N2 | H1 | 127.7° | 121.6° |
| C6 | C10 | C8 | H1 | 122.1° | 123.7° |
| C6 | C10 | N2 | C9 | 113.9° | 120.2° |
| C10 | C6 | S1 | C7 | 44.1° | 34.7° |
| C6 | C10 | C8 | C7 | 2.1° | 0.1° |
| C6 | C10 | C8 | N1 | 118.3° | 118.0° |
| C6 | C10 | N2 | H9 | 66.0° | 59.8° |
| C6 | C10 | C8 | H10 | 119.2° | 123.4° |
| C10 | C6 | C5 | H14 | 45.3° | 65.0° |
| C10 | C6 | C5 | H15 | 74.0° | 55.0° |
| S1 | C6 | C10 | N2 | 77.8° | 90.3° |
| S1 | C6 | C10 | C8 | 32.4° | 24.7° |
| C6 | S1 | C7 | C8 | 42.5° | 34.6° |
| S1 | C6 | C10 | H1 | 153.9° | 148.3° |
| C6 | S1 | C7 | H11 | 162.1° | 83.6° |
| C6 | S1 | C7 | H12 | 77.1° | 153.1° |
| S1 | C6 | C5 | H14 | 169.6° | 48.3° |
| S1 | C6 | C5 | H15 | 50.3° | 168.3° |
| N2 | C10 | C8 | H1 | 118.9° | 118.3° |
| C10 | N2 | C9 | H9 | 180.0° | 179.9° |
| C10 | N2 | C9 | O2 | 177.4° | 180.0° |
| C10 | N2 | C9 | N1 | 0.8° | 0.1° |
| N2 | C10 | C8 | C7 | 116.9° | 118.0° |
| N2 | C10 | C8 | N1 | 0.7° | 0.0° |
| N2 | C10 | C8 | H10 | 121.8° | 118.6° |
| N2 | C10 | C6 | H13 | 170.0° | 151.4° |
| C8 | C10 | N2 | C9 | 0.9° | 0.0° |
| C10 | C8 | C7 | S1 | 29.2° | 24.5° |
| C10 | C8 | N1 | C9 | 0.4° | 0.1° |
| C10 | C8 | C7 | N1 | 112.5° | 114.8° |
| C10 | C8 | C7 | H10 | 121.1° | 123.5° |
| C10 | C8 | N1 | H10 | 121.1° | 118.4° |
| C10 | C8 | N1 | H8 | 179.6° | 180.0° |
| C8 | C10 | N2 | H9 | 179.2° | 180.0° |
| C10 | C8 | C7 | H11 | 148.8° | 93.7° |
| C10 | C8 | C7 | H12 | 90.4° | 143.1° |
| C8 | C10 | C6 | H13 | 79.8° | 93.6° |
| N2 | C9 | O2 | N1 | 176.5° | 179.9° |
| N2 | C9 | N1 | C8 | 0.2° | 0.1° |
| C9 | N2 | C10 | H1 | 118.3° | 118.2° |
| N2 | C9 | N1 | H8 | 179.8° | 180.0° |
| S1 | C7 | C8 | H11 | 119.6° | 118.2° |
| S1 | C7 | C8 | H12 | 119.6° | 118.5° |
| S1 | C7 | C8 | N1 | 83.3° | 90.3° |
| S1 | C7 | C8 | H10 | 150.3° | 148.0° |
| S1 | C7 | H11 | H12 | 121.2° | 123.5° |
| C7 | S1 | C6 | H13 | 69.9° | 83.7° |
| O2 | C9 | N1 | C8 | 177.0° | 180.0° |
| O2 | C9 | N1 | H8 | 3.1° | 0.1° |
| O2 | C9 | N2 | H9 | 2.6° | 0.1° |
| C9 | N1 | C8 | C7 | 114.0° | 120.2° |
| C9 | N1 | C8 | H8 | 180.0° | 179.9° |
| N1 | C9 | N2 | H9 | 179.3° | 180.0° |
| C9 | N1 | C8 | H10 | 120.7° | 118.3° |
| C7 | C8 | N1 | H10 | 125.3° | 121.5° |
| C7 | C8 | C10 | H1 | 124.1° | 123.8° |
| C7 | C8 | N1 | H8 | 66.0° | 59.9° |
| C8 | C7 | H11 | H12 | 121.2° | 123.3° |
| N1 | C8 | C10 | H1 | 119.6° | 118.3° |
| N1 | C8 | C7 | H11 | 36.2° | 151.5° |
| N1 | C8 | C7 | H12 | 157.1° | 28.2° |
| H1 | C10 | N2 | H9 | 61.7° | 61.7° |
| H1 | C10 | C8 | H10 | 2.9° | 0.3° |
| H1 | C10 | C6 | H13 | 41.7° | 30.0° |
| H2 | C15 | C14 | H7 | 0.9° | 0.2° |
| H2 | C15 | C16 | H27 | 4.7° | 0.2° |
| H7 | C14 | C13 | H28 | 5.8° | 0.4° |
| H8 | N1 | C8 | H10 | 59.3° | 61.6° |
| H10 | C8 | C7 | H11 | 90.1° | 29.8° |
| H10 | C8 | C7 | H12 | 30.7° | 93.4° |
| H13 | C6 | C5 | H14 | 73.0° | 171.6° |
| H13 | C6 | C5 | H15 | 167.8° | 68.4° |
| H14 | C5 | C4 | H16 | 174.3° | 179.9° |
| H14 | C5 | C4 | H17 | 54.4° | 60.0° |
| H15 | C5 | C4 | H16 | 66.4° | 60.0° |
| H15 | C5 | C4 | H17 | 173.7° | 180.0° |
| H16 | C4 | C3 | H18 | 178.9° | 180.0° |
| H16 | C4 | C3 | H19 | 59.4° | 60.0° |
| H17 | C4 | C3 | H18 | 61.2° | 60.0° |
| H17 | C4 | C3 | H19 | 179.3° | 179.9° |
| H18 | C3 | C2 | H20 | 71.8° | 180.0° |
| H18 | C3 | C2 | H21 | 169.0° | 60.0° |
| H19 | C3 | C2 | H20 | 47.8° | 60.0° |
| H19 | C3 | C2 | H21 | 71.5° | 180.0° |
| H22 | C24 | N6 | H24 | 130.1° | 120.0° |
| H22 | C24 | C23 | H25 | 39.5° | 179.9° |
| H22 | C24 | C23 | H26 | 158.4° | 60.0° |
| H23 | C24 | N6 | H24 | 9.0° | 120.0° |
| H23 | C24 | C23 | H25 | 160.6° | 59.9° |
| H23 | C24 | C23 | H26 | 80.5° | 180.0° |
| H29 | C22 | C21 | H30 | 2.5° | 0.0° |
| H30 | C21 | C20 | H31 | 0.8° | 0.2° |
| H31 | C20 | C19 | H32 | 0.0° | 0.1° |
