3YO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C39 | N37 | sing | 1.47Å | 1.47Å | |
| N37 | C38 | sing | 1.47Å | 1.48Å | |
| N37 | C36 | sing | 1.47Å | 1.47Å | |
| C38 | C32 | sing | 1.51Å | 1.51Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C32 | N33 | sing | 1.35Å | 1.35Å | Aromatic |
| C32 | C31 | doub | 1.35Å | 1.35Å | Aromatic |
| C35 | N33 | sing | 1.47Å | 1.46Å | |
| N33 | N34 | sing | 1.39Å | 1.38Å | Aromatic |
| C31 | C30 | sing | 1.41Å | 1.41Å | Aromatic |
| N34 | C30 | doub | 1.31Å | 1.31Å | Aromatic |
| C30 | N29 | sing | 1.40Å | 1.39Å | |
| N29 | C23 | sing | 1.39Å | 1.40Å | |
| C23 | C22 | doub | 1.36Å | 1.37Å | |
| C23 | C24 | sing | 1.42Å | 1.41Å | |
| C22 | C21 | sing | 1.41Å | 1.41Å | |
| O25 | C24 | doub | 1.22Å | 1.23Å | |
| C24 | N26 | sing | 1.35Å | 1.33Å | |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C21 | C3 | sing | 1.48Å | 1.48Å | |
| C21 | N28 | doub | 1.31Å | 1.31Å | |
| N26 | N28 | sing | 1.40Å | 1.39Å | |
| C3 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | F20 | sing | 1.35Å | 1.35Å | |
| C6 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C7 | N8 | sing | 1.40Å | 1.41Å | |
| N8 | C9 | sing | 1.35Å | 1.34Å | |
| O10 | C9 | doub | 1.22Å | 1.22Å | |
| C9 | C11 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | doub | 1.34Å | 1.34Å | Aromatic |
| C11 | S19 | sing | 1.75Å | 1.75Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| S19 | C18 | sing | 1.76Å | 1.75Å | Aromatic |
| C13 | C18 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.42Å | 1.42Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.36Å | 1.36Å | Aromatic |
| C17 | C16 | doub | 1.37Å | 1.37Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N8 | H6 | sing | 0.97Å | 1.00Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| N26 | H27 | sing | 0.97Å | 1.00Å | |
| N29 | H13 | sing | 0.97Å | 1.00Å | |
| C31 | H14 | sing | 1.08Å | 1.08Å | |
| C35 | H15 | sing | 1.09Å | 1.10Å | |
| C35 | H16 | sing | 1.09Å | 1.10Å | |
| C36 | H17 | sing | 1.09Å | 1.10Å | |
| C36 | H18 | sing | 1.09Å | 1.10Å | |
| C38 | H20 | sing | 1.09Å | 1.10Å | |
| C38 | H21 | sing | 1.09Å | 1.10Å | |
| C39 | H22 | sing | 1.09Å | 1.10Å | |
| C39 | H23 | sing | 1.09Å | 1.10Å | |
| C39 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C39 | N37 | C38 | 110.2° | 111.0° |
| C39 | N37 | C36 | 110.3° | 110.9° |
| N37 | C39 | H22 | 109.5° | 109.5° |
| N37 | C39 | H23 | 109.4° | 109.5° |
| N37 | C39 | H24 | 109.4° | 109.5° |
| C38 | N37 | C36 | 114.0° | 111.0° |
| N37 | C38 | C32 | 108.9° | 108.0° |
| N37 | C38 | H20 | 109.6° | 109.7° |
| N37 | C38 | H21 | 109.6° | 109.7° |
| N37 | C36 | C35 | 110.0° | 109.8° |
| N37 | C36 | H17 | 109.4° | 109.4° |
| N37 | C36 | H18 | 109.3° | 109.4° |
| C38 | C32 | N33 | 123.6° | 123.6° |
| C38 | C32 | C31 | 128.5° | 128.4° |
| C32 | C38 | H20 | 109.6° | 110.1° |
| C32 | C38 | H21 | 109.6° | 109.5° |
| C36 | C35 | N33 | 106.5° | 108.3° |
| C36 | C35 | H15 | 110.2° | 109.7° |
| C36 | C35 | H16 | 110.2° | 109.8° |
| C35 | C36 | H17 | 109.3° | 109.5° |
| C35 | C36 | H18 | 109.4° | 109.4° |
| N33 | C32 | C31 | 108.0° | 108.0° |
| C32 | N33 | C35 | 124.8° | 123.5° |
| C32 | N33 | N34 | 108.8° | 108.2° |
| C32 | C31 | C30 | 106.7° | 107.7° |
| C32 | C31 | H14 | 126.6° | 126.1° |
| C35 | N33 | N34 | 126.5° | 128.3° |
| N33 | C35 | H15 | 110.2° | 109.7° |
| N33 | C35 | H16 | 110.2° | 109.7° |
| N33 | N34 | C30 | 107.6° | 108.0° |
| C31 | C30 | N34 | 108.9° | 108.2° |
| C31 | C30 | N29 | 125.5° | 125.9° |
| C30 | C31 | H14 | 126.6° | 126.2° |
| N34 | C30 | N29 | 125.6° | 126.0° |
| C30 | N29 | C23 | 126.3° | 120.0° |
| C30 | N29 | H13 | 116.8° | 120.0° |
| N29 | C23 | C22 | 126.2° | 120.4° |
| N29 | C23 | C24 | 114.8° | 120.4° |
| C23 | N29 | H13 | 116.9° | 120.0° |
| C22 | C23 | C24 | 119.0° | 119.2° |
| C23 | C22 | C21 | 119.3° | 119.6° |
| C23 | C22 | H12 | 120.3° | 120.2° |
| C23 | C24 | O25 | 121.0° | 120.3° |
| C23 | C24 | N26 | 119.7° | 119.5° |
| C22 | C21 | C3 | 120.7° | 119.7° |
| C22 | C21 | N28 | 120.3° | 120.5° |
| C21 | C22 | H12 | 120.3° | 120.2° |
| O25 | C24 | N26 | 119.3° | 120.2° |
| C24 | N26 | N28 | 120.9° | 120.3° |
| C24 | N26 | H27 | 119.5° | 119.9° |
| C5 | C4 | C3 | 120.0° | 120.0° |
| C4 | C5 | C6 | 119.8° | 120.2° |
| C5 | C4 | H4 | 120.0° | 120.0° |
| C4 | C5 | H5 | 120.1° | 119.9° |
| C4 | C3 | C21 | 118.4° | 120.1° |
| C4 | C3 | C2 | 120.0° | 119.9° |
| C3 | C4 | H4 | 120.0° | 120.0° |
| C5 | C6 | F20 | 119.3° | 119.9° |
| C5 | C6 | C7 | 121.3° | 120.1° |
| C6 | C5 | H5 | 120.1° | 119.9° |
| C3 | C21 | N28 | 119.0° | 119.7° |
| C21 | C3 | C2 | 121.6° | 120.1° |
| C21 | N28 | N26 | 120.8° | 120.9° |
| N28 | N26 | H27 | 119.6° | 119.9° |
| C3 | C2 | C7 | 119.5° | 119.8° |
| C3 | C2 | C1 | 122.1° | 120.1° |
| F20 | C6 | C7 | 119.4° | 120.0° |
| C6 | C7 | C2 | 119.5° | 120.0° |
| C6 | C7 | N8 | 121.4° | 120.0° |
| C7 | C2 | C1 | 118.4° | 120.1° |
| C2 | C7 | N8 | 119.1° | 120.1° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C7 | N8 | C9 | 120.6° | 120.1° |
| C7 | N8 | H6 | 119.7° | 120.0° |
| N8 | C9 | O10 | 120.3° | 120.0° |
| N8 | C9 | C11 | 121.1° | 120.1° |
| C9 | N8 | H6 | 119.7° | 120.0° |
| O10 | C9 | C11 | 118.4° | 120.0° |
| C9 | C11 | C12 | 128.5° | 124.7° |
| C9 | C11 | S19 | 120.3° | 124.6° |
| C12 | C11 | S19 | 111.0° | 110.7° |
| C11 | C12 | C13 | 114.7° | 115.6° |
| C11 | C12 | H7 | 122.6° | 122.2° |
| C11 | S19 | C18 | 91.8° | 91.6° |
| C12 | C13 | C18 | 112.7° | 112.6° |
| C12 | C13 | C14 | 129.8° | 128.8° |
| C13 | C12 | H7 | 122.6° | 122.3° |
| S19 | C18 | C13 | 109.7° | 109.5° |
| S19 | C18 | C17 | 129.3° | 130.6° |
| C18 | C13 | C14 | 117.4° | 118.6° |
| C13 | C18 | C17 | 121.0° | 119.9° |
| C13 | C14 | C15 | 120.8° | 120.5° |
| C13 | C14 | H8 | 119.6° | 119.8° |
| C18 | C17 | C16 | 120.1° | 120.1° |
| C18 | C17 | H11 | 120.0° | 120.0° |
| C14 | C15 | C16 | 120.8° | 120.7° |
| C15 | C14 | H8 | 119.6° | 119.7° |
| C14 | C15 | H9 | 119.6° | 119.7° |
| C17 | C16 | C15 | 119.9° | 120.2° |
| C17 | C16 | H10 | 120.0° | 119.9° |
| C16 | C17 | H11 | 120.0° | 119.9° |
| C16 | C15 | H9 | 119.6° | 119.7° |
| C15 | C16 | H10 | 120.1° | 119.9° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H15 | C35 | H16 | 109.5° | 109.7° |
| H17 | C36 | H18 | 109.5° | 109.4° |
| H20 | C38 | H21 | 109.5° | 109.8° |
| H22 | C39 | H23 | 109.5° | 109.5° |
| H22 | C39 | H24 | 109.5° | 109.5° |
| H23 | C39 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C39 | N37 | C38 | C36 | 124.7° | 123.8° |
| C39 | N37 | C38 | C32 | 165.0° | 174.0° |
| C39 | N37 | C36 | C35 | 168.4° | 165.3° |
| C39 | N37 | C36 | H17 | 71.5° | 45.1° |
| C39 | N37 | C36 | H18 | 48.3° | 74.7° |
| C39 | N37 | C38 | H20 | 75.2° | 54.0° |
| C39 | N37 | C38 | H21 | 45.1° | 66.7° |
| N37 | C39 | H22 | H23 | 120.0° | 120.0° |
| N37 | C39 | H22 | H24 | 120.0° | 120.0° |
| N37 | C39 | H23 | H24 | 120.0° | 120.0° |
| N37 | C38 | C32 | H20 | 119.9° | 119.7° |
| N37 | C38 | C32 | H21 | 119.9° | 119.5° |
| C38 | N37 | C36 | C35 | 66.9° | 70.9° |
| N37 | C38 | C32 | N33 | 7.3° | 16.0° |
| N37 | C38 | C32 | C31 | 173.1° | 164.2° |
| C38 | N37 | C36 | H17 | 53.1° | 169.0° |
| C38 | N37 | C36 | H18 | 173.0° | 49.2° |
| N37 | C38 | H20 | H21 | 120.3° | 120.7° |
| C38 | N37 | C39 | H22 | 180.0° | 56.1° |
| C38 | N37 | C39 | H23 | 60.0° | 176.0° |
| C38 | N37 | C39 | H24 | 60.0° | 64.0° |
| C36 | N37 | C38 | C32 | 40.2° | 50.2° |
| N37 | C36 | C35 | H17 | 120.1° | 120.1° |
| N37 | C36 | C35 | H18 | 120.1° | 120.0° |
| N37 | C36 | C35 | N33 | 53.6° | 49.8° |
| N37 | C36 | C35 | H15 | 173.2° | 69.8° |
| N37 | C36 | C35 | H16 | 65.9° | 169.6° |
| N37 | C36 | H17 | H18 | 119.7° | 119.8° |
| C36 | N37 | C38 | H20 | 160.1° | 69.7° |
| C36 | N37 | C38 | H21 | 79.6° | 169.5° |
| C36 | N37 | C39 | H22 | 53.2° | 179.9° |
| C36 | N37 | C39 | H23 | 66.8° | 60.1° |
| C36 | N37 | C39 | H24 | 173.2° | 59.9° |
| C38 | C32 | N33 | C31 | 179.7° | 179.8° |
| C38 | C32 | N33 | C35 | 0.1° | 0.1° |
| C38 | C32 | N33 | N34 | 180.0° | 179.8° |
| C38 | C32 | C31 | C30 | 179.6° | 179.9° |
| C38 | C32 | C31 | H14 | 0.4° | 0.1° |
| C32 | C38 | H20 | H21 | 120.3° | 120.6° |
| C36 | C35 | N33 | C32 | 22.9° | 16.4° |
| C36 | C35 | N33 | H15 | 119.5° | 119.6° |
| C36 | C35 | N33 | H16 | 119.5° | 119.8° |
| C36 | C35 | N33 | N34 | 157.2° | 163.7° |
| C36 | C35 | H15 | H16 | 121.3° | 120.7° |
| C35 | C36 | H17 | H18 | 119.8° | 119.9° |
| C32 | N33 | C35 | N34 | 179.9° | 179.9° |
| N33 | C32 | C31 | C30 | 0.1° | 0.1° |
| C32 | N33 | N34 | C30 | 0.6° | 0.5° |
| N33 | C32 | C31 | H14 | 179.9° | 179.9° |
| C32 | N33 | C35 | H15 | 142.5° | 103.2° |
| C32 | N33 | C35 | H16 | 96.6° | 136.2° |
| N33 | C32 | C38 | H20 | 127.2° | 103.8° |
| N33 | C32 | C38 | H21 | 112.6° | 135.4° |
| C31 | C32 | N33 | C35 | 179.8° | 179.7° |
| C31 | C32 | N33 | N34 | 0.3° | 0.3° |
| C32 | C31 | C30 | H14 | 180.0° | 180.0° |
| C32 | C31 | C30 | N34 | 0.5° | 0.2° |
| C32 | C31 | C30 | N29 | 179.7° | 179.9° |
| C31 | C32 | C38 | H20 | 53.2° | 76.0° |
| C31 | C32 | C38 | H21 | 67.0° | 44.8° |
| C35 | N33 | N34 | C30 | 179.5° | 179.6° |
| N33 | C35 | H15 | H16 | 121.4° | 120.6° |
| N33 | C35 | C36 | H17 | 66.5° | 169.9° |
| N33 | C35 | C36 | H18 | 173.7° | 70.2° |
| N33 | N34 | C30 | C31 | 0.6° | 0.4° |
| N33 | N34 | C30 | N29 | 179.9° | 179.9° |
| N34 | N33 | C35 | H15 | 37.6° | 76.7° |
| N34 | N33 | C35 | H16 | 83.3° | 43.8° |
| C31 | C30 | N34 | N29 | 179.3° | 179.7° |
| C31 | C30 | N29 | C23 | 164.0° | 5.8° |
| C31 | C30 | N29 | H13 | 16.0° | 174.3° |
| N34 | C30 | N29 | C23 | 16.9° | 174.5° |
| N34 | C30 | N29 | H13 | 163.1° | 5.4° |
| N34 | C30 | C31 | H14 | 179.5° | 179.8° |
| C30 | N29 | C23 | H13 | 180.0° | 179.9° |
| C30 | N29 | C23 | C22 | 16.7° | 121.0° |
| C30 | N29 | C23 | C24 | 164.0° | 58.9° |
| N29 | C30 | C31 | H14 | 0.2° | 0.1° |
| N29 | C23 | C22 | C24 | 179.3° | 179.9° |
| N29 | C23 | C22 | C21 | 179.5° | 179.9° |
| N29 | C23 | C24 | O25 | 0.7° | 0.1° |
| N29 | C23 | C24 | N26 | 180.0° | 179.9° |
| N29 | C23 | C22 | H12 | 0.5° | 0.0° |
| C23 | C22 | C21 | H12 | 180.0° | 179.9° |
| C22 | C23 | C24 | O25 | 178.7° | 180.0° |
| C22 | C23 | C24 | N26 | 0.7° | 0.0° |
| C23 | C22 | C21 | C3 | 179.6° | 180.0° |
| C23 | C22 | C21 | N28 | 1.3° | 0.3° |
| C22 | C23 | N29 | H13 | 163.3° | 59.0° |
| C24 | C23 | C22 | C21 | 0.3° | 0.0° |
| C23 | C24 | O25 | N26 | 179.4° | 180.0° |
| C23 | C24 | N26 | N28 | 0.3° | 0.3° |
| C24 | C23 | C22 | H12 | 179.8° | 179.9° |
| C23 | C24 | N26 | H27 | 179.7° | 180.0° |
| C24 | C23 | N29 | H13 | 16.0° | 121.0° |
| C22 | C21 | C3 | C4 | 45.3° | 113.9° |
| C22 | C21 | C3 | N28 | 179.1° | 179.7° |
| C22 | C21 | N28 | N26 | 2.3° | 0.5° |
| C22 | C21 | C3 | C2 | 133.4° | 66.1° |
| O25 | C24 | N26 | N28 | 179.7° | 179.7° |
| O25 | C24 | N26 | H27 | 0.3° | 0.0° |
| C24 | N26 | N28 | C21 | 1.9° | 0.5° |
| C24 | N26 | N28 | H27 | 180.0° | 179.7° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C5 | C4 | C3 | C21 | 179.3° | 179.9° |
| C5 | C4 | C3 | C2 | 0.6° | 0.0° |
| C4 | C5 | C6 | F20 | 179.9° | 180.0° |
| C4 | C5 | C6 | C7 | 0.3° | 0.0° |
| C3 | C4 | C5 | C6 | 0.8° | 0.0° |
| C4 | C3 | C21 | C2 | 178.7° | 179.9° |
| C4 | C3 | C21 | N28 | 133.8° | 65.8° |
| C4 | C3 | C2 | C7 | 0.1° | 0.0° |
| C4 | C3 | C2 | C1 | 178.7° | 179.8° |
| C3 | C4 | C5 | H5 | 179.2° | 180.0° |
| C5 | C6 | F20 | C7 | 179.9° | 179.9° |
| C5 | C6 | C7 | C2 | 0.5° | 0.1° |
| C5 | C6 | C7 | N8 | 179.9° | 179.7° |
| C6 | C5 | C4 | H4 | 179.2° | 180.0° |
| C3 | C21 | N28 | N26 | 178.5° | 179.7° |
| C21 | C3 | C2 | C7 | 178.6° | 180.0° |
| C21 | C3 | C2 | C1 | 0.0° | 0.3° |
| C21 | C3 | C4 | H4 | 0.6° | 0.1° |
| C3 | C21 | C22 | H12 | 0.4° | 0.1° |
| N28 | C21 | C3 | C2 | 47.4° | 114.1° |
| N28 | C21 | C22 | H12 | 178.7° | 179.8° |
| C21 | N28 | N26 | H27 | 178.1° | 179.7° |
| C3 | C2 | C7 | C6 | 0.7° | 0.1° |
| C3 | C2 | C7 | C1 | 178.6° | 179.7° |
| C3 | C2 | C7 | N8 | 179.9° | 179.7° |
| C3 | C2 | C1 | H1 | 90.8° | 94.5° |
| C3 | C2 | C1 | H2 | 149.2° | 25.5° |
| C3 | C2 | C1 | H3 | 29.2° | 145.5° |
| C2 | C3 | C4 | H4 | 179.4° | 180.0° |
| F20 | C6 | C7 | C2 | 179.4° | 180.0° |
| F20 | C6 | C7 | N8 | 0.0° | 0.2° |
| F20 | C6 | C5 | H5 | 0.1° | 0.0° |
| C6 | C7 | C2 | N8 | 179.4° | 179.8° |
| C6 | C7 | C2 | C1 | 179.2° | 179.8° |
| C6 | C7 | N8 | C9 | 72.7° | 34.4° |
| C7 | C6 | C5 | H5 | 179.7° | 180.0° |
| C6 | C7 | N8 | H6 | 107.3° | 145.7° |
| C2 | C7 | N8 | C9 | 106.7° | 145.8° |
| C7 | C2 | C1 | H1 | 90.7° | 85.2° |
| C7 | C2 | C1 | H2 | 29.3° | 154.8° |
| C7 | C2 | C1 | H3 | 149.3° | 34.8° |
| C2 | C7 | N8 | H6 | 73.3° | 34.1° |
| C1 | C2 | C7 | N8 | 1.3° | 0.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C7 | N8 | C9 | H6 | 180.0° | 179.9° |
| C7 | N8 | C9 | O10 | 2.5° | 3.1° |
| C7 | N8 | C9 | C11 | 177.9° | 176.8° |
| N8 | C9 | O10 | C11 | 175.5° | 180.0° |
| N8 | C9 | C11 | C12 | 8.3° | 179.9° |
| N8 | C9 | C11 | S19 | 175.9° | 0.3° |
| O10 | C9 | C11 | C12 | 167.2° | 0.0° |
| O10 | C9 | C11 | S19 | 8.6° | 179.7° |
| O10 | C9 | N8 | H6 | 177.5° | 176.8° |
| C9 | C11 | C12 | S19 | 176.1° | 179.7° |
| C9 | C11 | C12 | C13 | 177.9° | 180.0° |
| C9 | C11 | S19 | C18 | 178.0° | 179.9° |
| C11 | C9 | N8 | H6 | 2.1° | 3.3° |
| C9 | C11 | C12 | H7 | 2.1° | 0.1° |
| C11 | C12 | C13 | H7 | 180.0° | 179.9° |
| C12 | C11 | S19 | C18 | 1.6° | 0.4° |
| C11 | C12 | C13 | C18 | 1.1° | 0.0° |
| C11 | C12 | C13 | C14 | 179.3° | 179.9° |
| S19 | C11 | C12 | C13 | 1.8° | 0.3° |
| C11 | S19 | C18 | C13 | 0.9° | 0.4° |
| C11 | S19 | C18 | C17 | 179.2° | 179.9° |
| S19 | C11 | C12 | H7 | 178.2° | 179.8° |
| C12 | C13 | C18 | S19 | 0.1° | 0.3° |
| C12 | C13 | C18 | C14 | 179.7° | 179.9° |
| C12 | C13 | C18 | C17 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 179.8° | 180.0° |
| C12 | C13 | C14 | H8 | 0.2° | 0.0° |
| S19 | C18 | C13 | C17 | 179.9° | 179.7° |
| S19 | C18 | C13 | C14 | 179.5° | 179.8° |
| S19 | C18 | C17 | C16 | 179.4° | 179.7° |
| S19 | C18 | C17 | H11 | 0.6° | 0.4° |
| C18 | C13 | C14 | C15 | 0.6° | 0.0° |
| C13 | C18 | C17 | C16 | 0.5° | 0.0° |
| C18 | C13 | C12 | H7 | 178.9° | 179.9° |
| C18 | C13 | C14 | H8 | 179.4° | 180.0° |
| C13 | C18 | C17 | H11 | 179.5° | 180.0° |
| C14 | C13 | C18 | C17 | 0.4° | 0.0° |
| C13 | C14 | C15 | H8 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.9° | 0.0° |
| C14 | C13 | C12 | H7 | 0.7° | 0.0° |
| C13 | C14 | C15 | H9 | 179.1° | 180.0° |
| C18 | C17 | C16 | H11 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.8° | 0.1° |
| C18 | C17 | C16 | H10 | 179.2° | 180.0° |
| C14 | C15 | C16 | C17 | 1.0° | 0.1° |
| C14 | C15 | C16 | H9 | 180.0° | 180.0° |
| C14 | C15 | C16 | H10 | 179.0° | 180.0° |
| C17 | C16 | C15 | H10 | 180.0° | 179.9° |
| C17 | C16 | C15 | H9 | 179.0° | 179.9° |
| C16 | C15 | C14 | H8 | 179.1° | 180.0° |
| C15 | C16 | C17 | H11 | 179.2° | 179.9° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C4 | C5 | H5 | 0.8° | 0.0° |
| H8 | C14 | C15 | H9 | 0.9° | 0.0° |
| H9 | C15 | C16 | H10 | 1.0° | 0.0° |
| H10 | C16 | C17 | H11 | 0.8° | 0.0° |
| H15 | C35 | C36 | H17 | 53.1° | 50.3° |
| H15 | C35 | C36 | H18 | 66.8° | 170.2° |
| H16 | C35 | C36 | H17 | 174.0° | 70.3° |
| H16 | C35 | C36 | H18 | 54.1° | 49.6° |
| H22 | C39 | H23 | H24 | 120.0° | 120.0° |
