8OJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.37Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.37Å | Aromatic |
| C21 | C16 | sing | 1.40Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| O10 | C9 | doub | 1.22Å | 1.22Å | |
| C14 | C16 | sing | 1.48Å | 1.47Å | |
| C14 | O15 | sing | 1.34Å | 1.35Å | Aromatic |
| C11 | O15 | sing | 1.35Å | 1.36Å | Aromatic |
| C11 | C9 | sing | 1.47Å | 1.48Å | |
| C16 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | N1 | sing | 1.47Å | 1.46Å | |
| C9 | N8 | sing | 1.35Å | 1.35Å | |
| O39 | C28 | doub | 1.22Å | 1.24Å | |
| N1 | C2 | sing | 1.35Å | 1.34Å | |
| S23 | C24 | sing | 1.76Å | 1.71Å | |
| S23 | C22 | sing | 1.81Å | 1.77Å | |
| N29 | C28 | sing | 1.35Å | 1.31Å | |
| N29 | C24 | sing | 1.36Å | 1.36Å | |
| C19 | C22 | sing | 1.51Å | 1.51Å | |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.41Å | 1.38Å | |
| C24 | N25 | doub | 1.32Å | 1.36Å | |
| N8 | C4 | sing | 1.46Å | 1.45Å | |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C4 | sing | 1.51Å | 1.51Å | |
| C2 | O3 | doub | 1.21Å | 1.24Å | |
| C27 | C26 | doub | 1.36Å | 1.37Å | |
| C27 | C36 | sing | 1.51Å | 1.50Å | |
| N25 | C26 | sing | 1.33Å | 1.35Å | |
| C26 | C38 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C36 | C37 | sing | 1.54Å | 1.53Å | |
| C38 | C37 | sing | 1.54Å | 1.55Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C7 | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| N8 | H13 | sing | 0.97Å | 1.00Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C36 | H22 | sing | 1.09Å | 1.10Å | |
| C37 | H23 | sing | 1.09Å | 1.10Å | |
| C38 | H24 | sing | 1.09Å | 1.10Å | |
| N29 | H25 | sing | 0.97Å | 1.00Å | |
| C36 | H26 | sing | 1.09Å | 1.10Å | |
| C37 | H27 | sing | 1.09Å | 1.10Å | |
| C38 | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C13 | C14 | 107.7° | 107.1° |
| C13 | C12 | C11 | 105.3° | 106.7° |
| C13 | C12 | H14 | 127.4° | 126.6° |
| C12 | C13 | H15 | 126.2° | 126.4° |
| C13 | C14 | C16 | 130.0° | 125.7° |
| C13 | C14 | O15 | 108.7° | 108.7° |
| C14 | C13 | H15 | 126.1° | 126.5° |
| C12 | C11 | O15 | 111.1° | 108.1° |
| C12 | C11 | C9 | 137.3° | 125.9° |
| C11 | C12 | H14 | 127.4° | 126.6° |
| C20 | C21 | C16 | 119.2° | 119.8° |
| C21 | C20 | C19 | 119.4° | 120.1° |
| C21 | C20 | H18 | 120.3° | 119.9° |
| C20 | C21 | H19 | 120.4° | 120.1° |
| C21 | C16 | C14 | 119.1° | 120.1° |
| C21 | C16 | C17 | 121.7° | 119.7° |
| C16 | C21 | H19 | 120.4° | 120.1° |
| C20 | C19 | C22 | 118.1° | 119.8° |
| C20 | C19 | C18 | 121.6° | 120.3° |
| C19 | C20 | H18 | 120.3° | 119.9° |
| O10 | C9 | C11 | 118.1° | 120.0° |
| O10 | C9 | N8 | 125.6° | 120.0° |
| C16 | C14 | O15 | 121.3° | 125.6° |
| C14 | C16 | C17 | 119.1° | 120.1° |
| C14 | O15 | C11 | 107.1° | 109.4° |
| O15 | C11 | C9 | 111.5° | 126.0° |
| C11 | C9 | N8 | 116.1° | 119.9° |
| C16 | C17 | C18 | 119.0° | 119.8° |
| C16 | C17 | H16 | 120.5° | 120.1° |
| C1 | N1 | C2 | 122.7° | 120.0° |
| N1 | C1 | H1 | 109.5° | 109.5° |
| N1 | C1 | H2 | 109.4° | 109.5° |
| N1 | C1 | H3 | 109.5° | 109.4° |
| C1 | N1 | H4 | 118.6° | 120.0° |
| C9 | N8 | C4 | 124.5° | 119.9° |
| C9 | N8 | H13 | 117.7° | 120.0° |
| O39 | C28 | N29 | 117.5° | 120.6° |
| O39 | C28 | C27 | 124.8° | 120.5° |
| N1 | C2 | C4 | 116.7° | 120.0° |
| N1 | C2 | O3 | 122.9° | 120.0° |
| C2 | N1 | H4 | 118.6° | 120.0° |
| C24 | S23 | C22 | 104.3° | 100.0° |
| S23 | C24 | N29 | 121.3° | 119.4° |
| S23 | C24 | N25 | 119.5° | 119.4° |
| S23 | C22 | C19 | 107.7° | 109.5° |
| S23 | C22 | H20 | 109.9° | 109.5° |
| S23 | C22 | H21 | 109.9° | 109.5° |
| C28 | N29 | C24 | 123.7° | 119.6° |
| N29 | C28 | C27 | 117.6° | 118.8° |
| C28 | N29 | H25 | 118.2° | 120.2° |
| N29 | C24 | N25 | 119.2° | 121.2° |
| C24 | N29 | H25 | 118.2° | 120.2° |
| C22 | C19 | C18 | 120.3° | 119.9° |
| C19 | C22 | H20 | 109.9° | 109.5° |
| C19 | C22 | H21 | 109.9° | 109.5° |
| C19 | C18 | C17 | 119.0° | 120.2° |
| C19 | C18 | H17 | 120.5° | 119.9° |
| C28 | C27 | C26 | 120.0° | 119.0° |
| C28 | C27 | C36 | 127.6° | 130.7° |
| C24 | N25 | C26 | 118.6° | 121.6° |
| N8 | C4 | C2 | 109.3° | 109.5° |
| N8 | C4 | C5 | 110.9° | 109.5° |
| N8 | C4 | H5 | 109.4° | 109.5° |
| C4 | N8 | H13 | 117.7° | 120.0° |
| C18 | C17 | H16 | 120.5° | 120.0° |
| C17 | C18 | H17 | 120.5° | 119.9° |
| C4 | C2 | O3 | 120.3° | 120.0° |
| C2 | C4 | C5 | 110.0° | 109.5° |
| C2 | C4 | H5 | 108.5° | 109.4° |
| C26 | C27 | C36 | 112.4° | 110.2° |
| C27 | C26 | N25 | 120.9° | 119.8° |
| C27 | C26 | C38 | 111.3° | 109.9° |
| C27 | C36 | C37 | 104.1° | 105.1° |
| C27 | C36 | H22 | 110.8° | 110.3° |
| C27 | C36 | H26 | 110.8° | 110.3° |
| N25 | C26 | C38 | 127.8° | 130.3° |
| C26 | C38 | C37 | 104.1° | 105.1° |
| C26 | C38 | H24 | 110.8° | 110.3° |
| C26 | C38 | H28 | 110.8° | 110.3° |
| C4 | C5 | C6 | 108.6° | 109.5° |
| C4 | C5 | C7 | 109.9° | 109.5° |
| C5 | C4 | H5 | 108.6° | 109.5° |
| C4 | C5 | H6 | 109.3° | 109.5° |
| C36 | C37 | C38 | 108.0° | 102.1° |
| C37 | C36 | H22 | 110.8° | 110.3° |
| C36 | C37 | H23 | 109.9° | 110.9° |
| C37 | C36 | H26 | 110.8° | 110.3° |
| C36 | C37 | H27 | 109.8° | 110.9° |
| C38 | C37 | H23 | 109.8° | 110.8° |
| C37 | C38 | H24 | 110.8° | 110.3° |
| C38 | C37 | H27 | 109.8° | 111.0° |
| C37 | C38 | H28 | 110.8° | 110.3° |
| C6 | C5 | C7 | 110.7° | 109.5° |
| C6 | C5 | H6 | 109.1° | 109.5° |
| C5 | C6 | H7 | 109.5° | 109.5° |
| C5 | C6 | H8 | 109.5° | 109.5° |
| C5 | C6 | H9 | 109.5° | 109.5° |
| C7 | C5 | H6 | 109.2° | 109.5° |
| C5 | C7 | H10 | 109.5° | 109.5° |
| C5 | C7 | H11 | 109.4° | 109.5° |
| C5 | C7 | H12 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.5° |
| H7 | C6 | H9 | 109.4° | 109.4° |
| H8 | C6 | H9 | 109.5° | 109.4° |
| H10 | C7 | H11 | 109.5° | 109.4° |
| H10 | C7 | H12 | 109.5° | 109.4° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| H20 | C22 | H21 | 109.5° | 109.4° |
| H22 | C36 | H26 | 109.5° | 110.3° |
| H23 | C37 | H27 | 109.5° | 110.8° |
| H24 | C38 | H28 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C13 | C14 | H15 | 180.0° | 179.9° |
| C13 | C12 | C11 | H14 | 180.0° | 180.0° |
| C12 | C13 | C14 | C16 | 179.0° | 180.0° |
| C12 | C13 | C14 | O15 | 1.1° | 0.1° |
| C13 | C12 | C11 | O15 | 2.1° | 0.0° |
| C13 | C12 | C11 | C9 | 178.2° | 179.7° |
| C14 | C13 | C12 | C11 | 0.6° | 0.1° |
| C13 | C14 | C16 | C21 | 36.8° | 0.4° |
| C13 | C14 | C16 | O15 | 177.7° | 179.9° |
| C13 | C14 | O15 | C11 | 2.4° | 0.1° |
| C13 | C14 | C16 | C17 | 144.7° | 179.9° |
| C14 | C13 | C12 | H14 | 179.4° | 179.9° |
| C12 | C11 | C9 | O10 | 12.3° | 0.3° |
| C12 | C11 | O15 | C14 | 2.8° | 0.0° |
| C12 | C11 | O15 | C9 | 177.2° | 179.8° |
| C12 | C11 | C9 | N8 | 172.3° | 179.7° |
| C11 | C12 | C13 | H15 | 179.4° | 180.0° |
| C20 | C21 | C16 | H19 | 180.0° | 179.4° |
| C21 | C20 | C19 | H18 | 180.0° | 179.7° |
| C20 | C21 | C16 | C14 | 179.0° | 179.7° |
| C20 | C21 | C16 | C17 | 0.5° | 0.6° |
| C21 | C20 | C19 | C22 | 179.4° | 179.7° |
| C21 | C20 | C19 | C18 | 0.4° | 0.2° |
| C16 | C21 | C20 | C19 | 0.6° | 0.5° |
| C21 | C16 | C14 | C17 | 178.5° | 179.7° |
| C21 | C16 | C14 | O15 | 140.9° | 179.8° |
| C21 | C16 | C17 | C18 | 0.2° | 0.3° |
| C21 | C16 | C17 | H16 | 179.8° | 179.7° |
| C16 | C21 | C20 | H18 | 179.4° | 179.7° |
| C20 | C19 | C22 | S23 | 79.7° | 90.0° |
| C20 | C19 | C22 | C18 | 179.8° | 180.0° |
| C20 | C19 | C18 | C17 | 0.1° | 0.1° |
| C20 | C19 | C18 | H17 | 179.9° | 179.9° |
| C19 | C20 | C21 | H19 | 179.4° | 180.0° |
| C20 | C19 | C22 | H20 | 40.0° | 30.0° |
| C20 | C19 | C22 | H21 | 160.6° | 150.0° |
| O10 | C9 | C11 | O15 | 163.8° | 180.0° |
| O10 | C9 | C11 | N8 | 175.4° | 180.0° |
| O10 | C9 | N8 | C4 | 18.5° | 0.0° |
| O10 | C9 | N8 | H13 | 161.5° | 180.0° |
| C16 | C14 | O15 | C11 | 179.5° | 180.0° |
| C14 | C16 | C17 | C18 | 178.7° | 180.0° |
| C16 | C14 | C13 | H15 | 1.0° | 0.1° |
| C14 | C16 | C17 | H16 | 1.3° | 0.0° |
| C14 | C16 | C21 | H19 | 1.0° | 0.3° |
| C14 | O15 | C11 | C9 | 180.0° | 179.8° |
| O15 | C14 | C16 | C17 | 37.6° | 0.0° |
| O15 | C14 | C13 | H15 | 178.9° | 180.0° |
| O15 | C11 | C9 | N8 | 11.6° | 0.0° |
| O15 | C11 | C12 | H14 | 177.9° | 180.0° |
| C11 | C9 | N8 | C4 | 156.6° | 180.0° |
| C11 | C9 | N8 | H13 | 23.4° | 0.0° |
| C9 | C11 | C12 | H14 | 1.8° | 0.3° |
| C16 | C17 | C18 | C19 | 0.0° | 0.1° |
| C16 | C17 | C18 | H16 | 180.0° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C17 | C16 | C21 | H19 | 179.5° | 180.0° |
| C1 | N1 | C2 | H4 | 180.0° | 180.0° |
| C1 | N1 | C2 | C4 | 171.7° | 175.4° |
| C1 | N1 | C2 | O3 | 5.3° | 4.6° |
| N1 | C1 | H1 | H2 | 120.0° | 120.0° |
| N1 | C1 | H1 | H3 | 120.0° | 120.0° |
| N1 | C1 | H2 | H3 | 120.0° | 120.0° |
| C9 | N8 | C4 | H13 | 180.0° | 180.0° |
| C9 | N8 | C4 | C2 | 104.6° | 155.0° |
| C9 | N8 | C4 | C5 | 134.0° | 85.0° |
| C9 | N8 | C4 | H5 | 14.2° | 35.0° |
| O39 | C28 | N29 | C27 | 179.6° | 179.7° |
| O39 | C28 | N29 | C24 | 179.9° | 179.8° |
| O39 | C28 | C27 | C26 | 179.9° | 179.9° |
| O39 | C28 | C27 | C36 | 1.0° | 0.0° |
| O39 | C28 | N29 | H25 | 0.1° | 0.4° |
| N1 | C2 | C4 | N8 | 124.3° | 152.3° |
| N1 | C2 | C4 | O3 | 177.1° | 180.0° |
| N1 | C2 | C4 | C5 | 113.7° | 87.7° |
| C2 | N1 | C1 | H1 | 180.0° | 60.0° |
| C2 | N1 | C1 | H2 | 60.0° | 60.0° |
| C2 | N1 | C1 | H3 | 60.0° | 180.0° |
| N1 | C2 | C4 | H5 | 5.0° | 32.2° |
| S23 | C24 | N29 | C28 | 178.0° | 179.7° |
| S23 | C24 | N29 | N25 | 178.5° | 179.8° |
| C24 | S23 | C22 | C19 | 176.4° | 180.0° |
| S23 | C24 | N25 | C26 | 177.3° | 180.0° |
| C24 | S23 | C22 | H20 | 56.6° | 60.0° |
| C24 | S23 | C22 | H21 | 64.0° | 60.0° |
| S23 | C24 | N29 | H25 | 2.0° | 0.3° |
| C22 | S23 | C24 | N29 | 176.7° | 179.7° |
| S23 | C22 | C19 | H20 | 119.7° | 120.0° |
| S23 | C22 | C19 | H21 | 119.7° | 120.0° |
| S23 | C22 | C19 | C18 | 100.1° | 90.0° |
| C22 | S23 | C24 | N25 | 1.8° | 0.0° |
| S23 | C22 | H20 | H21 | 120.8° | 120.0° |
| C28 | N29 | C24 | H25 | 180.0° | 179.4° |
| C28 | N29 | C24 | N25 | 0.5° | 0.6° |
| N29 | C28 | C27 | C26 | 0.3° | 0.3° |
| N29 | C28 | C27 | C36 | 179.4° | 179.7° |
| C24 | N29 | C28 | C27 | 0.3° | 0.6° |
| N29 | C24 | N25 | C26 | 1.2° | 0.2° |
| C22 | C19 | C18 | C17 | 179.8° | 180.0° |
| C22 | C19 | C18 | H17 | 0.2° | 0.0° |
| C22 | C19 | C20 | H18 | 0.6° | 0.0° |
| C19 | C22 | H20 | H21 | 120.8° | 120.0° |
| C19 | C18 | C17 | H17 | 180.0° | 180.0° |
| C19 | C18 | C17 | H16 | 180.0° | 180.0° |
| C18 | C19 | C20 | H18 | 179.6° | 180.0° |
| C18 | C19 | C22 | H20 | 140.2° | 150.0° |
| C18 | C19 | C22 | H21 | 19.6° | 30.1° |
| C28 | C27 | C26 | C36 | 179.2° | 180.0° |
| C28 | C27 | C26 | N25 | 0.4° | 0.0° |
| C28 | C27 | C26 | C38 | 179.3° | 180.0° |
| C28 | C27 | C36 | C37 | 177.6° | 163.0° |
| C28 | C27 | C36 | H22 | 63.3° | 78.1° |
| C27 | C28 | N29 | H25 | 179.7° | 180.0° |
| C28 | C27 | C36 | H26 | 58.5° | 44.1° |
| C24 | N25 | C26 | C27 | 1.2° | 0.1° |
| C24 | N25 | C26 | C38 | 179.8° | 180.0° |
| N25 | C24 | N29 | H25 | 179.5° | 180.0° |
| N8 | C4 | C2 | C5 | 122.0° | 120.0° |
| N8 | C4 | C2 | H5 | 119.3° | 120.0° |
| N8 | C4 | C2 | O3 | 52.8° | 27.8° |
| N8 | C4 | C5 | H5 | 120.3° | 120.1° |
| N8 | C4 | C5 | C6 | 56.5° | 177.9° |
| N8 | C4 | C5 | C7 | 177.7° | 58.0° |
| N8 | C4 | C5 | H6 | 62.4° | 62.1° |
| C2 | C4 | C5 | H5 | 118.7° | 120.0° |
| C2 | C4 | C5 | C6 | 177.6° | 62.1° |
| C2 | C4 | C5 | C7 | 61.2° | 177.9° |
| C4 | C2 | N1 | H4 | 8.3° | 4.7° |
| C2 | C4 | C5 | H6 | 58.7° | 57.9° |
| C2 | C4 | N8 | H13 | 75.4° | 25.0° |
| O3 | C2 | C4 | C5 | 69.2° | 92.2° |
| O3 | C2 | N1 | H4 | 174.7° | 175.4° |
| O3 | C2 | C4 | H5 | 172.1° | 147.8° |
| C27 | C26 | N25 | C38 | 178.6° | 179.9° |
| C26 | C27 | C36 | C37 | 1.6° | 17.0° |
| C27 | C26 | C38 | C37 | 1.6° | 17.0° |
| C26 | C27 | C36 | H22 | 117.6° | 101.9° |
| C27 | C26 | C38 | H24 | 120.8° | 135.9° |
| C26 | C27 | C36 | H26 | 120.7° | 135.9° |
| C27 | C26 | C38 | H28 | 117.5° | 101.9° |
| C36 | C27 | C26 | N25 | 178.8° | 180.0° |
| C36 | C27 | C26 | C38 | 0.0° | 0.0° |
| C27 | C36 | C37 | H22 | 119.2° | 118.9° |
| C27 | C36 | C37 | H26 | 119.1° | 118.9° |
| C27 | C36 | C37 | C38 | 2.5° | 25.9° |
| C27 | C36 | H22 | H26 | 122.5° | 122.2° |
| C27 | C36 | C37 | H23 | 122.3° | 144.1° |
| C27 | C36 | C37 | H27 | 117.3° | 92.4° |
| N25 | C26 | C38 | C37 | 177.1° | 162.9° |
| N25 | C26 | C38 | H24 | 58.0° | 44.0° |
| N25 | C26 | C38 | H28 | 63.8° | 78.2° |
| C26 | C38 | C37 | C36 | 2.5° | 25.9° |
| C26 | C38 | C37 | H24 | 119.2° | 119.0° |
| C26 | C38 | C37 | H28 | 119.1° | 118.9° |
| C26 | C38 | C37 | H23 | 122.3° | 144.1° |
| C26 | C38 | H24 | H28 | 122.5° | 122.1° |
| C26 | C38 | C37 | H27 | 117.2° | 92.3° |
| C4 | C5 | C6 | C7 | 120.7° | 120.0° |
| C4 | C5 | C6 | H6 | 119.1° | 120.0° |
| C4 | C5 | C7 | H6 | 119.9° | 120.0° |
| C4 | C5 | C6 | H7 | 180.0° | 54.0° |
| C4 | C5 | C6 | H8 | 60.0° | 174.0° |
| C4 | C5 | C6 | H9 | 60.0° | 66.0° |
| C4 | C5 | C7 | H10 | 180.0° | 60.0° |
| C4 | C5 | C7 | H11 | 60.0° | 180.0° |
| C4 | C5 | C7 | H12 | 60.0° | 59.9° |
| C5 | C4 | N8 | H13 | 46.0° | 95.0° |
| C36 | C37 | C38 | H23 | 119.8° | 118.2° |
| C36 | C37 | C38 | H27 | 119.8° | 118.2° |
| C37 | C36 | H22 | H26 | 122.5° | 122.1° |
| C36 | C37 | H23 | H27 | 120.7° | 123.6° |
| C36 | C37 | C38 | H24 | 121.7° | 144.9° |
| C36 | C37 | C38 | H28 | 116.6° | 92.9° |
| C38 | C37 | C36 | H22 | 116.7° | 93.0° |
| C38 | C37 | H23 | H27 | 120.7° | 123.7° |
| C37 | C38 | H24 | H28 | 122.5° | 122.1° |
| C38 | C37 | C36 | H26 | 121.6° | 144.9° |
| C6 | C5 | C7 | H6 | 120.1° | 120.0° |
| C6 | C5 | C4 | H5 | 63.7° | 57.9° |
| C5 | C6 | H7 | H8 | 120.0° | 120.0° |
| C5 | C6 | H7 | H9 | 120.0° | 120.0° |
| C5 | C6 | H8 | H9 | 120.0° | 120.1° |
| C6 | C5 | C7 | H10 | 60.1° | 180.0° |
| C6 | C5 | C7 | H11 | 179.9° | 60.0° |
| C6 | C5 | C7 | H12 | 59.9° | 60.1° |
| C7 | C5 | C4 | H5 | 57.5° | 62.1° |
| C7 | C5 | C6 | H7 | 59.3° | 66.0° |
| C7 | C5 | C6 | H8 | 60.7° | 54.0° |
| C7 | C5 | C6 | H9 | 179.3° | 174.0° |
| C5 | C7 | H10 | H11 | 120.0° | 120.0° |
| C5 | C7 | H10 | H12 | 120.0° | 120.0° |
| C5 | C7 | H11 | H12 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.1° |
| H1 | C1 | N1 | H4 | 0.0° | 120.0° |
| H2 | C1 | N1 | H4 | 120.0° | 120.0° |
| H3 | C1 | N1 | H4 | 120.0° | 0.0° |
| H5 | C4 | C5 | H6 | 177.3° | 177.9° |
| H5 | C4 | N8 | H13 | 165.8° | 145.0° |
| H6 | C5 | C6 | H7 | 60.9° | 174.0° |
| H6 | C5 | C6 | H8 | 179.1° | 66.0° |
| H6 | C5 | C6 | H9 | 59.1° | 54.0° |
| H6 | C5 | C7 | H10 | 60.0° | 60.0° |
| H6 | C5 | C7 | H11 | 59.9° | 60.0° |
| H6 | C5 | C7 | H12 | 179.9° | 180.0° |
| H7 | C6 | H8 | H9 | 120.0° | 119.9° |
| H10 | C7 | H11 | H12 | 120.0° | 120.0° |
| H14 | C12 | C13 | H15 | 0.6° | 0.0° |
| H16 | C17 | C18 | H17 | 0.0° | 0.0° |
| H18 | C20 | C21 | H19 | 0.6° | 0.3° |
| H22 | C36 | C37 | H23 | 3.1° | 25.2° |
| H22 | C36 | C37 | H27 | 123.6° | 148.7° |
| H23 | C37 | C38 | H24 | 118.5° | 96.9° |
| H23 | C37 | C36 | H26 | 118.6° | 97.0° |
| H23 | C37 | C38 | H28 | 3.2° | 25.3° |
| H24 | C38 | C37 | H27 | 1.9° | 26.7° |
| H26 | C36 | C37 | H27 | 1.9° | 26.5° |
| H27 | C37 | C38 | H28 | 123.7° | 148.9° |
