KCE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | O1 | sing | 1.44Å | 1.43Å | |
| C20 | O | sing | 1.44Å | 1.43Å | |
| O1 | C21 | sing | 1.36Å | 1.38Å | |
| C21 | C22 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | C19 | sing | 1.39Å | 1.37Å | Aromatic |
| O | C19 | sing | 1.37Å | 1.38Å | |
| C22 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | N5 | sing | 1.47Å | 1.47Å | |
| C10 | C7 | sing | 1.53Å | 1.53Å | |
| N1 | N | sing | 1.45Å | 1.41Å | |
| C13 | N | sing | 1.47Å | 1.48Å | |
| C13 | C1 | sing | 1.53Å | 1.55Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C | C1 | sing | 1.53Å | 1.53Å | |
| N5 | C14 | sing | 1.35Å | 1.34Å | Aromatic |
| N5 | N4 | sing | 1.29Å | 1.35Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C14 | N2 | doub | 1.31Å | 1.32Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C9 | sing | 1.53Å | 1.54Å | |
| N4 | N3 | doub | 1.29Å | 1.30Å | Aromatic |
| C6 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| N2 | N3 | sing | 1.29Å | 1.36Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C22 | H9 | sing | 1.08Å | 1.08Å | |
| N1 | H10 | sing | 1.01Å | 1.00Å | |
| N1 | H11 | sing | 1.01Å | 1.00Å | |
| N | H12 | sing | 1.01Å | 1.00Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å | |
| C8 | H20 | sing | 1.09Å | 1.10Å | |
| C4 | H21 | sing | 1.08Å | 1.08Å | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| C | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.08Å | 1.08Å | |
| C17 | H29 | sing | 1.08Å | 1.08Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C20 | O | 108.4° | 103.8° |
| C20 | O1 | C21 | 105.6° | 105.5° |
| O1 | C20 | H27 | 109.7° | 110.6° |
| O1 | C20 | H30 | 109.7° | 110.6° |
| C20 | O | C19 | 105.6° | 105.5° |
| O | C20 | H27 | 109.8° | 110.5° |
| O | C20 | H30 | 109.7° | 110.6° |
| O1 | C21 | C22 | 128.5° | 131.5° |
| O1 | C21 | C19 | 110.2° | 108.7° |
| C22 | C21 | C19 | 121.4° | 119.8° |
| C21 | C22 | C16 | 118.7° | 120.0° |
| C21 | C22 | H9 | 120.7° | 120.0° |
| C21 | C19 | O | 110.2° | 108.6° |
| C21 | C19 | C18 | 121.3° | 119.9° |
| O | C19 | C18 | 128.5° | 131.5° |
| C22 | C16 | C15 | 120.2° | 119.9° |
| C22 | C16 | C17 | 119.3° | 120.1° |
| C16 | C22 | H9 | 120.6° | 120.0° |
| C19 | C18 | C17 | 117.7° | 120.0° |
| C19 | C18 | H28 | 121.1° | 120.0° |
| C15 | C16 | C17 | 120.5° | 119.9° |
| C16 | C15 | N5 | 112.8° | 109.5° |
| C16 | C15 | H25 | 108.7° | 109.5° |
| C16 | C15 | H26 | 108.6° | 109.5° |
| C16 | C17 | C18 | 121.6° | 120.1° |
| C16 | C17 | H29 | 119.2° | 119.9° |
| C17 | C18 | H28 | 121.1° | 120.0° |
| C18 | C17 | H29 | 119.2° | 119.9° |
| C15 | N5 | C14 | 132.5° | 126.4° |
| C15 | N5 | N4 | 119.0° | 126.4° |
| N5 | C15 | H25 | 108.6° | 109.4° |
| N5 | C15 | H26 | 108.7° | 109.5° |
| C10 | C7 | C6 | 109.5° | 109.5° |
| C10 | C7 | C8 | 108.8° | 109.5° |
| C10 | C7 | C9 | 109.1° | 109.5° |
| C7 | C10 | H15 | 109.5° | 109.5° |
| C7 | C10 | H16 | 109.4° | 109.4° |
| C7 | C10 | H17 | 109.5° | 109.5° |
| N1 | N | C13 | 111.6° | 111.0° |
| N | N1 | H10 | 109.5° | 111.0° |
| N | N1 | H11 | 109.5° | 111.0° |
| N1 | N | H12 | 108.9° | 111.0° |
| N | C13 | C1 | 110.6° | 109.5° |
| N | C13 | C14 | 113.9° | 109.5° |
| C13 | N | H12 | 108.9° | 111.0° |
| N | C13 | H13 | 106.4° | 109.5° |
| C1 | C13 | C14 | 113.5° | 109.5° |
| C13 | C1 | C | 112.1° | 109.5° |
| C13 | C1 | C2 | 114.2° | 109.5° |
| C1 | C13 | H13 | 105.7° | 109.5° |
| C13 | C1 | H14 | 106.3° | 109.5° |
| C13 | C14 | N5 | 127.8° | 126.7° |
| C13 | C14 | N2 | 123.6° | 126.6° |
| C14 | C13 | H13 | 106.0° | 109.5° |
| C | C1 | C2 | 110.7° | 109.5° |
| C | C1 | H14 | 106.5° | 109.5° |
| C1 | C | H22 | 109.5° | 109.5° |
| C1 | C | H23 | 109.5° | 109.5° |
| C1 | C | H24 | 109.4° | 109.5° |
| C14 | N5 | N4 | 108.5° | 107.2° |
| N5 | C14 | N2 | 108.6° | 106.7° |
| N5 | N4 | N3 | 105.9° | 108.8° |
| C1 | C2 | C3 | 112.1° | 109.5° |
| C1 | C2 | H1 | 108.8° | 109.5° |
| C1 | C2 | H2 | 108.8° | 109.4° |
| C2 | C1 | H14 | 106.4° | 109.4° |
| C14 | N2 | N3 | 105.8° | 108.0° |
| C4 | C5 | C6 | 121.0° | 120.0° |
| C5 | C4 | C3 | 121.0° | 120.0° |
| C4 | C5 | H3 | 119.5° | 120.0° |
| C5 | C4 | H21 | 119.5° | 120.0° |
| C5 | C6 | C7 | 120.8° | 120.0° |
| C5 | C6 | C11 | 117.9° | 120.0° |
| C6 | C5 | H3 | 119.5° | 120.0° |
| C4 | C3 | C2 | 120.5° | 120.0° |
| C4 | C3 | C12 | 118.0° | 120.0° |
| C3 | C4 | H21 | 119.5° | 120.0° |
| C6 | C7 | C8 | 110.9° | 109.4° |
| C6 | C7 | C9 | 110.9° | 109.5° |
| C7 | C6 | C11 | 121.3° | 120.0° |
| C8 | C7 | C9 | 107.6° | 109.5° |
| C7 | C8 | H18 | 109.5° | 109.5° |
| C7 | C8 | H19 | 109.4° | 109.5° |
| C7 | C8 | H20 | 109.5° | 109.5° |
| C7 | C9 | H4 | 109.5° | 109.5° |
| C7 | C9 | H5 | 109.4° | 109.5° |
| C7 | C9 | H6 | 109.4° | 109.5° |
| N4 | N3 | N2 | 111.2° | 109.4° |
| C6 | C11 | C12 | 121.0° | 119.9° |
| C6 | C11 | H7 | 119.5° | 120.0° |
| C2 | C3 | C12 | 121.3° | 120.0° |
| C3 | C2 | H1 | 108.8° | 109.5° |
| C3 | C2 | H2 | 108.8° | 109.5° |
| C3 | C12 | C11 | 121.0° | 120.0° |
| C3 | C12 | H8 | 119.5° | 120.0° |
| C12 | C11 | H7 | 119.5° | 120.1° |
| C11 | C12 | H8 | 119.5° | 119.9° |
| H1 | C2 | H2 | 109.5° | 109.4° |
| H4 | C9 | H5 | 109.5° | 109.5° |
| H4 | C9 | H6 | 109.4° | 109.4° |
| H5 | C9 | H6 | 109.5° | 109.4° |
| H10 | N1 | H11 | 109.5° | 111.1° |
| H15 | C10 | H16 | 109.4° | 109.5° |
| H15 | C10 | H17 | 109.5° | 109.5° |
| H16 | C10 | H17 | 109.5° | 109.5° |
| H18 | C8 | H19 | 109.5° | 109.4° |
| H18 | C8 | H20 | 109.5° | 109.5° |
| H19 | C8 | H20 | 109.5° | 109.5° |
| H22 | C | H23 | 109.5° | 109.5° |
| H22 | C | H24 | 109.5° | 109.4° |
| H23 | C | H24 | 109.5° | 109.4° |
| H25 | C15 | H26 | 109.4° | 109.4° |
| H27 | C20 | H30 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C20 | O | H27 | 119.8° | 118.6° |
| O1 | C20 | O | H30 | 119.8° | 118.6° |
| C20 | O1 | C21 | C22 | 179.9° | 162.7° |
| C20 | O1 | C21 | C19 | 1.5° | 17.3° |
| O1 | C20 | O | C19 | 1.6° | 27.1° |
| O1 | C20 | H27 | H30 | 120.5° | 122.9° |
| O | C20 | O1 | C21 | 1.9° | 27.1° |
| C20 | O | C19 | C21 | 0.6° | 17.2° |
| C20 | O | C19 | C18 | 179.9° | 162.4° |
| O | C20 | H27 | H30 | 120.5° | 122.8° |
| O1 | C21 | C22 | C19 | 178.2° | 180.0° |
| O1 | C21 | C19 | O | 0.6° | 0.0° |
| O1 | C21 | C22 | C16 | 177.3° | 180.0° |
| O1 | C21 | C19 | C18 | 178.7° | 179.7° |
| O1 | C21 | C22 | H9 | 2.6° | 0.1° |
| C21 | O1 | C20 | H27 | 117.9° | 91.4° |
| C21 | O1 | C20 | H30 | 121.7° | 145.7° |
| C22 | C21 | C19 | O | 179.1° | 180.0° |
| C21 | C22 | C16 | H9 | 180.0° | 179.9° |
| C22 | C21 | C19 | C18 | 0.2° | 0.3° |
| C21 | C22 | C16 | C15 | 177.2° | 180.0° |
| C21 | C22 | C16 | C17 | 1.3° | 0.2° |
| C21 | C19 | O | C18 | 179.2° | 179.7° |
| C19 | C21 | C22 | C16 | 0.9° | 0.0° |
| C21 | C19 | C18 | C17 | 0.8° | 0.3° |
| C19 | C21 | C22 | H9 | 179.1° | 180.0° |
| C21 | C19 | C18 | H28 | 179.2° | 180.0° |
| O | C19 | C18 | C17 | 178.4° | 179.9° |
| C19 | O | C20 | H27 | 118.2° | 91.5° |
| O | C19 | C18 | H28 | 1.6° | 0.4° |
| C19 | O | C20 | H30 | 121.4° | 145.7° |
| C22 | C16 | C15 | C17 | 178.6° | 179.8° |
| C22 | C16 | C17 | C18 | 0.7° | 0.2° |
| C22 | C16 | C15 | N5 | 105.5° | 90.2° |
| C22 | C16 | C15 | H25 | 15.0° | 29.8° |
| C22 | C16 | C15 | H26 | 133.9° | 149.7° |
| C22 | C16 | C17 | H29 | 179.3° | 179.8° |
| C19 | C18 | C17 | C16 | 0.3° | 0.1° |
| C19 | C18 | C17 | H28 | 180.0° | 179.7° |
| C19 | C18 | C17 | H29 | 179.7° | 180.0° |
| C15 | C16 | C17 | C18 | 177.8° | 180.0° |
| C16 | C15 | N5 | H25 | 120.5° | 120.0° |
| C16 | C15 | N5 | H26 | 120.5° | 120.0° |
| C16 | C15 | N5 | C14 | 100.5° | 90.0° |
| C16 | C15 | N5 | N4 | 80.5° | 90.0° |
| C15 | C16 | C22 | H9 | 2.7° | 0.1° |
| C16 | C15 | H25 | H26 | 118.5° | 120.0° |
| C15 | C16 | C17 | H29 | 2.1° | 0.0° |
| C16 | C17 | C18 | H29 | 180.0° | 179.9° |
| C17 | C16 | C15 | N5 | 73.0° | 90.0° |
| C17 | C16 | C22 | H9 | 178.7° | 179.7° |
| C17 | C16 | C15 | H25 | 166.5° | 150.0° |
| C17 | C16 | C15 | H26 | 47.5° | 30.1° |
| C16 | C17 | C18 | H28 | 179.7° | 179.7° |
| C15 | N5 | C14 | C13 | 2.7° | 0.0° |
| C15 | N5 | C14 | N4 | 179.1° | 180.0° |
| C15 | N5 | C14 | N2 | 178.6° | 179.8° |
| C15 | N5 | N4 | N3 | 178.9° | 180.0° |
| N5 | C15 | H25 | H26 | 118.5° | 120.0° |
| C10 | C7 | C6 | C5 | 68.0° | 60.0° |
| C10 | C7 | C6 | C8 | 120.0° | 120.0° |
| C10 | C7 | C6 | C9 | 120.5° | 120.0° |
| C10 | C7 | C8 | C9 | 118.1° | 120.0° |
| C10 | C7 | C6 | C11 | 109.2° | 120.0° |
| C10 | C7 | C9 | H4 | 180.0° | 60.0° |
| C10 | C7 | C9 | H5 | 60.0° | 60.0° |
| C10 | C7 | C9 | H6 | 60.0° | 180.0° |
| C7 | C10 | H15 | H16 | 120.0° | 120.0° |
| C7 | C10 | H15 | H17 | 120.0° | 120.0° |
| C7 | C10 | H16 | H17 | 120.0° | 120.0° |
| C10 | C7 | C8 | H18 | 180.0° | 180.0° |
| C10 | C7 | C8 | H19 | 60.0° | 60.1° |
| C10 | C7 | C8 | H20 | 60.0° | 59.9° |
| N1 | N | C13 | H12 | 120.3° | 124.0° |
| N1 | N | C13 | C1 | 177.9° | 65.8° |
| N1 | N | C13 | C14 | 52.9° | 54.2° |
| N | N1 | H10 | H11 | 120.0° | 123.9° |
| N1 | N | C13 | H13 | 63.6° | 174.2° |
| N | C13 | C1 | C14 | 129.5° | 120.0° |
| N | C13 | C1 | H13 | 114.8° | 120.0° |
| N | C13 | C14 | H13 | 116.7° | 120.0° |
| N | C13 | C1 | C | 176.9° | 62.6° |
| N | C13 | C14 | N5 | 120.1° | 135.3° |
| N | C13 | C1 | C2 | 49.9° | 57.4° |
| N | C13 | C14 | N2 | 61.4° | 45.0° |
| C13 | N | N1 | H10 | 180.0° | 180.0° |
| C13 | N | N1 | H11 | 60.0° | 56.0° |
| N | C13 | C1 | H14 | 67.1° | 177.3° |
| C1 | C13 | C14 | H13 | 115.5° | 120.0° |
| C13 | C1 | C | C2 | 128.8° | 120.0° |
| C13 | C1 | C | H14 | 115.9° | 120.0° |
| C1 | C13 | C14 | N5 | 112.1° | 104.7° |
| C13 | C1 | C2 | H14 | 117.0° | 120.0° |
| C1 | C13 | C14 | N2 | 66.4° | 75.0° |
| C13 | C1 | C2 | C3 | 163.5° | 175.0° |
| C13 | C1 | C2 | H1 | 43.1° | 54.9° |
| C13 | C1 | C2 | H2 | 76.1° | 65.0° |
| C1 | C13 | N | H12 | 57.6° | 170.2° |
| C13 | C1 | C | H22 | 180.0° | 69.2° |
| C13 | C1 | C | H23 | 60.0° | 50.9° |
| C13 | C1 | C | H24 | 60.0° | 170.9° |
| C14 | C13 | C1 | C | 47.4° | 57.4° |
| C13 | C14 | N5 | N2 | 178.7° | 179.7° |
| C13 | C14 | N5 | N4 | 178.2° | 179.9° |
| C14 | C13 | C1 | C2 | 79.5° | 177.4° |
| C13 | C14 | N2 | N3 | 178.4° | 179.9° |
| C14 | C13 | N | H12 | 173.2° | 69.8° |
| C14 | C13 | C1 | H14 | 163.5° | 62.7° |
| C | C1 | C2 | H14 | 115.4° | 120.0° |
| C | C1 | C2 | C3 | 68.8° | 65.0° |
| C | C1 | C2 | H1 | 170.8° | 174.9° |
| C | C1 | C2 | H2 | 51.6° | 55.0° |
| C | C1 | C13 | H13 | 68.3° | 177.4° |
| C1 | C | H22 | H23 | 120.0° | 120.0° |
| C1 | C | H22 | H24 | 120.0° | 120.0° |
| C1 | C | H23 | H24 | 120.0° | 120.0° |
| C14 | N5 | N4 | N3 | 0.3° | 0.0° |
| N5 | C14 | N2 | N3 | 0.4° | 0.4° |
| N5 | C14 | C13 | H13 | 3.4° | 15.3° |
| C14 | N5 | C15 | H25 | 20.0° | 30.0° |
| C14 | N5 | C15 | H26 | 139.0° | 150.0° |
| N4 | N5 | C14 | N2 | 0.5° | 0.2° |
| N5 | N4 | N3 | N2 | 0.1° | 0.3° |
| N4 | N5 | C15 | H25 | 159.0° | 150.0° |
| N4 | N5 | C15 | H26 | 40.0° | 30.0° |
| C1 | C2 | C3 | C4 | 78.7° | 89.9° |
| C1 | C2 | C3 | H1 | 120.4° | 120.1° |
| C1 | C2 | C3 | H2 | 120.4° | 120.0° |
| C1 | C2 | C3 | C12 | 95.4° | 90.0° |
| C1 | C2 | H1 | H2 | 118.8° | 119.9° |
| C2 | C1 | C13 | H13 | 164.7° | 62.6° |
| C2 | C1 | C | H22 | 51.2° | 50.8° |
| C2 | C1 | C | H23 | 68.8° | 170.9° |
| C2 | C1 | C | H24 | 171.2° | 69.1° |
| C14 | N2 | N3 | N4 | 0.2° | 0.4° |
| N2 | C14 | C13 | H13 | 178.1° | 165.0° |
| C4 | C5 | C6 | H3 | 180.0° | 179.7° |
| C5 | C4 | C3 | H21 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 176.0° | 180.0° |
| C4 | C5 | C6 | C11 | 1.3° | 0.0° |
| C5 | C4 | C3 | C2 | 172.0° | 180.0° |
| C5 | C4 | C3 | C12 | 2.4° | 0.0° |
| C6 | C5 | C4 | C3 | 0.6° | 0.0° |
| C5 | C6 | C7 | C11 | 177.2° | 180.0° |
| C5 | C6 | C7 | C8 | 52.0° | 60.0° |
| C5 | C6 | C7 | C9 | 171.5° | 180.0° |
| C5 | C6 | C11 | C12 | 1.3° | 0.0° |
| C5 | C6 | C11 | H7 | 178.6° | 180.0° |
| C6 | C5 | C4 | H21 | 179.4° | 180.0° |
| C4 | C3 | C2 | C12 | 174.2° | 179.9° |
| C4 | C3 | C12 | C11 | 2.4° | 0.0° |
| C4 | C3 | C2 | H1 | 41.7° | 150.0° |
| C4 | C3 | C2 | H2 | 160.9° | 30.0° |
| C3 | C4 | C5 | H3 | 179.4° | 179.8° |
| C4 | C3 | C12 | H8 | 177.6° | 180.0° |
| C6 | C7 | C8 | C9 | 121.5° | 120.0° |
| C7 | C6 | C11 | C12 | 176.0° | 180.0° |
| C7 | C6 | C5 | H3 | 4.0° | 0.3° |
| C6 | C7 | C9 | H4 | 59.3° | 60.0° |
| C6 | C7 | C9 | H5 | 60.7° | 180.0° |
| C6 | C7 | C9 | H6 | 179.3° | 60.0° |
| C7 | C6 | C11 | H7 | 4.1° | 0.0° |
| C6 | C7 | C10 | H15 | 180.0° | 60.0° |
| C6 | C7 | C10 | H16 | 60.0° | 180.0° |
| C6 | C7 | C10 | H17 | 60.0° | 60.0° |
| C6 | C7 | C8 | H18 | 59.6° | 60.0° |
| C6 | C7 | C8 | H19 | 179.6° | 180.0° |
| C6 | C7 | C8 | H20 | 60.4° | 60.0° |
| C8 | C7 | C6 | C11 | 130.8° | 120.0° |
| C8 | C7 | C9 | H4 | 62.1° | 179.9° |
| C8 | C7 | C9 | H5 | 177.9° | 60.0° |
| C8 | C7 | C9 | H6 | 57.9° | 60.0° |
| C8 | C7 | C10 | H15 | 58.8° | 60.0° |
| C8 | C7 | C10 | H16 | 178.7° | 60.0° |
| C8 | C7 | C10 | H17 | 61.3° | 180.0° |
| C7 | C8 | H18 | H19 | 120.0° | 120.0° |
| C7 | C8 | H18 | H20 | 120.0° | 120.0° |
| C7 | C8 | H19 | H20 | 120.0° | 120.0° |
| C9 | C7 | C6 | C11 | 11.2° | 0.0° |
| C7 | C9 | H4 | H5 | 120.0° | 120.1° |
| C7 | C9 | H4 | H6 | 120.0° | 120.0° |
| C7 | C9 | H5 | H6 | 120.0° | 120.0° |
| C9 | C7 | C10 | H15 | 58.4° | 180.0° |
| C9 | C7 | C10 | H16 | 61.6° | 60.0° |
| C9 | C7 | C10 | H17 | 178.4° | 60.0° |
| C9 | C7 | C8 | H18 | 61.9° | 60.0° |
| C9 | C7 | C8 | H19 | 58.1° | 60.0° |
| C9 | C7 | C8 | H20 | 178.1° | 180.0° |
| C6 | C11 | C12 | C3 | 0.5° | 0.0° |
| C6 | C11 | C12 | H7 | 180.0° | 180.0° |
| C11 | C6 | C5 | H3 | 178.7° | 179.7° |
| C6 | C11 | C12 | H8 | 179.5° | 179.9° |
| C2 | C3 | C12 | C11 | 172.0° | 180.0° |
| C3 | C2 | H1 | H2 | 118.8° | 120.0° |
| C2 | C3 | C12 | H8 | 8.0° | 0.1° |
| C3 | C2 | C1 | H14 | 46.5° | 55.0° |
| C2 | C3 | C4 | H21 | 8.0° | 0.1° |
| C3 | C12 | C11 | H8 | 180.0° | 179.9° |
| C12 | C3 | C2 | H1 | 144.2° | 30.1° |
| C12 | C3 | C2 | H2 | 24.9° | 150.0° |
| C3 | C12 | C11 | H7 | 179.5° | 180.0° |
| C12 | C3 | C4 | H21 | 177.6° | 180.0° |
| H1 | C2 | C1 | H14 | 73.9° | 65.0° |
| H2 | C2 | C1 | H14 | 166.9° | 175.0° |
| H3 | C5 | C4 | H21 | 0.6° | 0.3° |
| H4 | C9 | H5 | H6 | 120.0° | 119.9° |
| H7 | C11 | C12 | H8 | 0.5° | 0.0° |
| H10 | N1 | N | H12 | 59.7° | 56.0° |
| H11 | N1 | N | H12 | 60.4° | 68.0° |
| H12 | N | C13 | H13 | 56.7° | 50.2° |
| H13 | C13 | C1 | H14 | 47.7° | 57.3° |
| H14 | C1 | C | H22 | 64.1° | 170.8° |
| H14 | C1 | C | H23 | 175.9° | 69.1° |
| H14 | C1 | C | H24 | 55.9° | 50.9° |
| H15 | C10 | H16 | H17 | 120.0° | 120.0° |
| H18 | C8 | H19 | H20 | 120.0° | 120.0° |
| H22 | C | H23 | H24 | 120.0° | 119.9° |
| H28 | C18 | C17 | H29 | 0.4° | 0.3° |
