V24
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | C18 | doub | 1.21Å | 1.21Å | |
| C23 | C21 | sing | 1.53Å | 1.52Å | |
| C18 | O19 | sing | 1.34Å | 1.21Å | |
| C18 | C17 | sing | 1.51Å | 1.47Å | |
| C21 | C17 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.53Å | 1.50Å | |
| C17 | N16 | sing | 1.47Å | 1.47Å | |
| C24 | N16 | sing | 1.47Å | 1.49Å | |
| C24 | C25 | sing | 1.51Å | 1.54Å | |
| N16 | S13 | sing | 1.66Å | 1.52Å | |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| N26 | C25 | sing | 1.34Å | 1.35Å | Aromatic |
| N26 | N27 | doub | 1.29Å | 1.41Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.35Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C51 | C50 | sing | 1.51Å | 1.43Å | |
| C25 | C29 | doub | 1.35Å | 1.40Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.36Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | C7 | sing | 1.48Å | 1.45Å | |
| C1 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | S13 | sing | 1.76Å | 1.59Å | |
| C10 | C11 | sing | 1.38Å | 1.36Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.36Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| S13 | O14 | doub | 1.42Å | 1.39Å | |
| S13 | O15 | doub | 1.42Å | 1.35Å | |
| N27 | N28 | sing | 1.29Å | 1.39Å | Aromatic |
| C29 | N28 | sing | 1.35Å | 1.33Å | Aromatic |
| C50 | N49 | sing | 1.35Å | 1.32Å | |
| C50 | O52 | doub | 1.21Å | 1.20Å | |
| N28 | C30 | sing | 1.47Å | 1.48Å | |
| N49 | C35 | sing | 1.47Å | 1.42Å | |
| C35 | C30 | sing | 1.53Å | 1.49Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C30 | O31 | sing | 1.43Å | 1.43Å | |
| O31 | C32 | sing | 1.43Å | 1.46Å | |
| C34 | O42 | sing | 1.45Å | 1.44Å | |
| C34 | C33 | sing | 1.53Å | 1.55Å | |
| O42 | C43 | sing | 1.34Å | 1.43Å | |
| C43 | C44 | sing | 1.51Å | 1.49Å | |
| C43 | O45 | doub | 1.21Å | 1.19Å | |
| C32 | C33 | sing | 1.53Å | 1.55Å | |
| C32 | C36 | sing | 1.53Å | 1.54Å | |
| C33 | O41 | sing | 1.45Å | 1.43Å | |
| O37 | C36 | sing | 1.45Å | 1.44Å | |
| O37 | C38 | sing | 1.34Å | 1.47Å | |
| O41 | C46 | sing | 1.34Å | 1.45Å | |
| O40 | C38 | doub | 1.21Å | 1.20Å | |
| C38 | C39 | sing | 1.51Å | 1.50Å | |
| C46 | O48 | doub | 1.21Å | 1.20Å | |
| C46 | C47 | sing | 1.51Å | 1.47Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C51 | H16 | sing | 1.09Å | 1.10Å | |
| C51 | H17 | sing | 1.09Å | 1.10Å | |
| C51 | H18 | sing | 1.09Å | 1.10Å | |
| N49 | H19 | sing | 0.97Å | 1.00Å | |
| C35 | H20 | sing | 1.09Å | 1.10Å | |
| C34 | H21 | sing | 1.09Å | 1.10Å | |
| C44 | H22 | sing | 1.09Å | 1.10Å | |
| C44 | H23 | sing | 1.09Å | 1.10Å | |
| C44 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å | |
| C47 | H26 | sing | 1.09Å | 1.10Å | |
| C47 | H27 | sing | 1.09Å | 1.10Å | |
| C47 | H28 | sing | 1.09Å | 1.10Å | |
| C32 | H29 | sing | 1.09Å | 1.10Å | |
| C36 | H30 | sing | 1.09Å | 1.10Å | |
| C36 | H31 | sing | 1.09Å | 1.10Å | |
| C39 | H32 | sing | 1.09Å | 1.10Å | |
| C39 | H33 | sing | 1.09Å | 1.10Å | |
| C39 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.08Å | 1.08Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| O19 | H40 | sing | 0.97Å | 0.95Å | |
| C3 | H41 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O20 | C18 | O19 | 125.7° | 120.0° |
| O20 | C18 | C17 | 117.9° | 120.0° |
| C23 | C21 | C17 | 112.3° | 109.5° |
| C23 | C21 | C22 | 108.1° | 109.5° |
| C23 | C21 | H10 | 107.5° | 109.5° |
| C21 | C23 | H37 | 109.5° | 109.5° |
| C21 | C23 | H38 | 109.5° | 109.5° |
| C21 | C23 | H39 | 109.5° | 109.5° |
| O19 | C18 | C17 | 116.3° | 120.0° |
| C18 | O19 | H40 | 109.5° | 116.9° |
| C18 | C17 | C21 | 107.6° | 109.4° |
| C18 | C17 | N16 | 117.1° | 109.5° |
| C18 | C17 | H9 | 105.0° | 109.5° |
| C17 | C21 | C22 | 113.8° | 109.5° |
| C21 | C17 | N16 | 116.4° | 109.5° |
| C21 | C17 | H9 | 104.3° | 109.5° |
| C17 | C21 | H10 | 107.3° | 109.5° |
| C22 | C21 | H10 | 107.7° | 109.5° |
| C21 | C22 | H11 | 109.5° | 109.5° |
| C21 | C22 | H12 | 109.4° | 109.5° |
| C21 | C22 | H13 | 109.5° | 109.5° |
| C17 | N16 | C24 | 113.2° | 120.0° |
| C17 | N16 | S13 | 122.9° | 120.0° |
| N16 | C17 | H9 | 105.0° | 109.5° |
| N16 | C24 | C25 | 127.5° | 109.5° |
| C24 | N16 | S13 | 123.6° | 120.0° |
| N16 | C24 | H14 | 104.8° | 109.5° |
| N16 | C24 | H15 | 104.8° | 109.5° |
| C24 | C25 | N26 | 122.8° | 126.7° |
| C24 | C25 | C29 | 132.8° | 126.8° |
| C25 | C24 | H14 | 104.8° | 109.5° |
| C25 | C24 | H15 | 104.8° | 109.5° |
| N16 | S13 | C10 | 118.4° | 107.2° |
| N16 | S13 | O14 | 104.3° | 106.5° |
| N16 | S13 | O15 | 116.8° | 106.4° |
| C2 | C3 | C4 | 121.1° | 120.1° |
| C3 | C2 | C1 | 119.7° | 119.9° |
| C3 | C2 | H1 | 120.2° | 120.1° |
| C2 | C3 | H41 | 119.4° | 120.0° |
| C3 | C4 | C5 | 118.5° | 120.2° |
| C3 | C4 | H2 | 120.8° | 119.9° |
| C4 | C3 | H41 | 119.4° | 119.9° |
| C25 | N26 | N27 | 111.2° | 108.9° |
| N26 | C25 | C29 | 104.4° | 106.5° |
| N26 | N27 | N28 | 104.7° | 110.2° |
| C2 | C1 | C7 | 119.9° | 120.1° |
| C2 | C1 | C6 | 120.7° | 119.8° |
| C1 | C2 | H1 | 120.2° | 120.0° |
| C4 | C5 | C6 | 120.4° | 120.1° |
| C5 | C4 | H2 | 120.8° | 119.9° |
| C4 | C5 | H3 | 119.8° | 119.9° |
| C51 | C50 | N49 | 113.4° | 120.0° |
| C51 | C50 | O52 | 115.2° | 120.0° |
| C50 | C51 | H16 | 109.5° | 109.5° |
| C50 | C51 | H17 | 109.4° | 109.5° |
| C50 | C51 | H18 | 109.5° | 109.5° |
| C25 | C29 | N28 | 111.3° | 106.2° |
| C25 | C29 | H36 | 124.3° | 126.9° |
| C7 | C8 | C9 | 115.8° | 119.9° |
| C8 | C7 | C1 | 118.8° | 120.1° |
| C8 | C7 | C12 | 122.3° | 119.7° |
| C7 | C8 | H5 | 122.1° | 120.0° |
| C8 | C9 | C10 | 123.0° | 120.1° |
| C9 | C8 | H5 | 122.1° | 120.1° |
| C8 | C9 | H6 | 118.5° | 120.0° |
| C7 | C1 | C6 | 119.3° | 120.1° |
| C1 | C7 | C12 | 118.9° | 120.1° |
| C1 | C6 | C5 | 119.6° | 119.9° |
| C1 | C6 | H4 | 120.2° | 120.1° |
| C7 | C12 | C11 | 120.2° | 119.9° |
| C7 | C12 | H8 | 119.9° | 120.1° |
| C9 | C10 | S13 | 119.6° | 119.9° |
| C9 | C10 | C11 | 119.5° | 120.2° |
| C10 | C9 | H6 | 118.5° | 119.9° |
| S13 | C10 | C11 | 120.8° | 119.9° |
| C10 | S13 | O14 | 100.4° | 106.4° |
| C10 | S13 | O15 | 110.8° | 106.4° |
| C10 | C11 | C12 | 119.2° | 120.1° |
| C10 | C11 | H7 | 120.4° | 120.0° |
| C12 | C11 | H7 | 120.4° | 119.9° |
| C11 | C12 | H8 | 119.9° | 120.0° |
| C6 | C5 | H3 | 119.8° | 119.9° |
| C5 | C6 | H4 | 120.2° | 120.0° |
| O14 | S13 | O15 | 103.2° | 123.1° |
| N27 | N28 | C29 | 108.4° | 108.2° |
| N27 | N28 | C30 | 118.6° | 125.8° |
| C29 | N28 | C30 | 133.0° | 125.9° |
| N28 | C29 | H36 | 124.4° | 126.9° |
| N49 | C50 | O52 | 131.3° | 120.0° |
| C50 | N49 | C35 | 120.0° | 120.0° |
| C50 | N49 | H19 | 120.0° | 120.0° |
| N28 | C30 | C35 | 105.9° | 109.5° |
| N28 | C30 | O31 | 110.9° | 109.5° |
| N28 | C30 | H35 | 112.2° | 109.5° |
| N49 | C35 | C30 | 110.7° | 109.6° |
| N49 | C35 | C34 | 113.4° | 109.5° |
| C35 | N49 | H19 | 120.0° | 120.0° |
| N49 | C35 | H20 | 108.2° | 109.5° |
| C30 | C35 | C34 | 110.1° | 109.2° |
| C35 | C30 | O31 | 102.1° | 109.4° |
| C30 | C35 | H20 | 107.3° | 109.5° |
| C35 | C30 | H35 | 112.0° | 109.5° |
| C35 | C34 | O42 | 103.6° | 109.6° |
| C35 | C34 | C33 | 114.0° | 109.0° |
| C34 | C35 | H20 | 106.9° | 109.6° |
| C35 | C34 | H21 | 107.9° | 109.5° |
| C30 | O31 | C32 | 121.7° | 114.1° |
| O31 | C30 | H35 | 113.1° | 109.5° |
| O31 | C32 | C33 | 113.5° | 109.4° |
| O31 | C32 | C36 | 112.5° | 109.5° |
| O31 | C32 | H29 | 108.6° | 109.5° |
| O42 | C34 | C33 | 114.5° | 109.5° |
| C34 | O42 | C43 | 122.6° | 117.0° |
| O42 | C34 | H21 | 109.0° | 109.5° |
| C34 | C33 | C32 | 114.9° | 109.2° |
| C34 | C33 | O41 | 108.9° | 109.5° |
| C33 | C34 | H21 | 107.6° | 109.6° |
| C34 | C33 | H25 | 105.3° | 109.5° |
| O42 | C43 | C44 | 119.5° | 120.0° |
| O42 | C43 | O45 | 115.9° | 120.0° |
| C44 | C43 | O45 | 124.6° | 120.0° |
| C43 | C44 | H22 | 109.5° | 109.4° |
| C43 | C44 | H23 | 109.5° | 109.5° |
| C43 | C44 | H24 | 109.4° | 109.5° |
| C33 | C32 | C36 | 106.9° | 109.5° |
| C32 | C33 | O41 | 115.0° | 109.5° |
| C32 | C33 | H25 | 105.3° | 109.6° |
| C33 | C32 | H29 | 107.5° | 109.5° |
| C32 | C36 | O37 | 123.0° | 109.5° |
| C36 | C32 | H29 | 107.6° | 109.4° |
| C32 | C36 | H30 | 106.0° | 109.5° |
| C32 | C36 | H31 | 106.0° | 109.4° |
| C33 | O41 | C46 | 112.3° | 117.0° |
| O41 | C33 | H25 | 106.6° | 109.5° |
| C36 | O37 | C38 | 125.2° | 117.0° |
| O37 | C36 | H30 | 106.0° | 109.5° |
| O37 | C36 | H31 | 106.0° | 109.5° |
| O37 | C38 | O40 | 119.8° | 120.0° |
| O37 | C38 | C39 | 118.7° | 120.0° |
| O41 | C46 | O48 | 121.7° | 120.0° |
| O41 | C46 | C47 | 117.5° | 120.0° |
| O40 | C38 | C39 | 121.5° | 120.0° |
| C38 | C39 | H32 | 109.5° | 109.5° |
| C38 | C39 | H33 | 109.5° | 109.5° |
| C38 | C39 | H34 | 109.5° | 109.5° |
| O48 | C46 | C47 | 120.7° | 120.0° |
| C46 | C47 | H26 | 109.5° | 109.4° |
| C46 | C47 | H27 | 109.5° | 109.5° |
| C46 | C47 | H28 | 109.5° | 109.5° |
| H11 | C22 | H12 | 109.5° | 109.4° |
| H11 | C22 | H13 | 109.4° | 109.4° |
| H12 | C22 | H13 | 109.5° | 109.5° |
| H14 | C24 | H15 | 109.4° | 109.5° |
| H16 | C51 | H17 | 109.5° | 109.4° |
| H16 | C51 | H18 | 109.4° | 109.4° |
| H17 | C51 | H18 | 109.5° | 109.4° |
| H22 | C44 | H23 | 109.5° | 109.4° |
| H22 | C44 | H24 | 109.5° | 109.5° |
| H23 | C44 | H24 | 109.5° | 109.5° |
| H26 | C47 | H27 | 109.5° | 109.4° |
| H26 | C47 | H28 | 109.4° | 109.4° |
| H27 | C47 | H28 | 109.5° | 109.5° |
| H30 | C36 | H31 | 109.5° | 109.4° |
| H32 | C39 | H33 | 109.5° | 109.5° |
| H32 | C39 | H34 | 109.4° | 109.4° |
| H33 | C39 | H34 | 109.4° | 109.4° |
| H37 | C23 | H38 | 109.4° | 109.4° |
| H37 | C23 | H39 | 109.5° | 109.4° |
| H38 | C23 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | C18 | O19 | C17 | 177.9° | 180.0° |
| O20 | C18 | C17 | C21 | 47.8° | 96.0° |
| O20 | C18 | C17 | N16 | 85.5° | 24.0° |
| O20 | C18 | C17 | H9 | 158.5° | 144.0° |
| O20 | C18 | O19 | H40 | 0.0° | 0.1° |
| C23 | C21 | C17 | C18 | 70.9° | 65.8° |
| C23 | C21 | C17 | C22 | 123.1° | 120.0° |
| C23 | C21 | C17 | H10 | 117.8° | 120.0° |
| C23 | C21 | C22 | H10 | 115.8° | 120.0° |
| C23 | C21 | C17 | N16 | 155.4° | 174.3° |
| C23 | C21 | C17 | H9 | 40.2° | 54.2° |
| C23 | C21 | C22 | H11 | 180.0° | 60.0° |
| C23 | C21 | C22 | H12 | 60.0° | 60.0° |
| C23 | C21 | C22 | H13 | 60.0° | 180.0° |
| C21 | C23 | H37 | H38 | 120.0° | 120.0° |
| C21 | C23 | H37 | H39 | 120.0° | 120.0° |
| C21 | C23 | H38 | H39 | 120.0° | 120.1° |
| O19 | C18 | C17 | C21 | 130.3° | 84.0° |
| O19 | C18 | C17 | N16 | 96.4° | 156.0° |
| O19 | C18 | C17 | H9 | 19.6° | 36.0° |
| C18 | C17 | C21 | N16 | 133.7° | 120.0° |
| C18 | C17 | C21 | H9 | 111.1° | 120.0° |
| C18 | C17 | C21 | C22 | 166.0° | 174.3° |
| C18 | C17 | N16 | H9 | 115.9° | 120.0° |
| C18 | C17 | N16 | C24 | 85.0° | 115.8° |
| C18 | C17 | N16 | S13 | 89.0° | 64.2° |
| C18 | C17 | C21 | H10 | 47.0° | 54.3° |
| C17 | C18 | O19 | H40 | 177.9° | 179.9° |
| C17 | C21 | C22 | H10 | 118.8° | 120.0° |
| C21 | C17 | N16 | H9 | 114.8° | 120.0° |
| C21 | C17 | N16 | C24 | 44.3° | 124.2° |
| C21 | C17 | N16 | S13 | 141.7° | 55.8° |
| C17 | C21 | C22 | H11 | 54.6° | 60.0° |
| C17 | C21 | C22 | H12 | 65.4° | 180.0° |
| C17 | C21 | C22 | H13 | 174.6° | 60.0° |
| C17 | C21 | C23 | H37 | 180.0° | 60.0° |
| C17 | C21 | C23 | H38 | 60.0° | 180.0° |
| C17 | C21 | C23 | H39 | 60.0° | 59.9° |
| C22 | C21 | C17 | N16 | 32.3° | 54.3° |
| C22 | C21 | C17 | H9 | 82.9° | 65.8° |
| C21 | C22 | H11 | H12 | 120.0° | 120.0° |
| C21 | C22 | H11 | H13 | 120.0° | 120.0° |
| C21 | C22 | H12 | H13 | 120.0° | 120.0° |
| C22 | C21 | C23 | H37 | 53.7° | 180.0° |
| C22 | C21 | C23 | H38 | 66.3° | 60.0° |
| C22 | C21 | C23 | H39 | 173.8° | 60.0° |
| C17 | N16 | C24 | S13 | 173.9° | 180.0° |
| C17 | N16 | C24 | C25 | 137.9° | 83.4° |
| C17 | N16 | S13 | C10 | 73.6° | 110.8° |
| C17 | N16 | S13 | O14 | 176.0° | 2.8° |
| C17 | N16 | S13 | O15 | 62.8° | 135.7° |
| N16 | C17 | C21 | H10 | 86.7° | 65.7° |
| C17 | N16 | C24 | H14 | 15.5° | 36.6° |
| C17 | N16 | C24 | H15 | 99.7° | 156.6° |
| N16 | C24 | C25 | H14 | 122.4° | 120.0° |
| N16 | C24 | C25 | H15 | 122.4° | 120.0° |
| N16 | C24 | C25 | N26 | 166.8° | 84.6° |
| N16 | C24 | C25 | C29 | 12.7° | 95.1° |
| C24 | N16 | S13 | C10 | 99.7° | 69.3° |
| C24 | N16 | S13 | O14 | 10.7° | 177.2° |
| C24 | N16 | S13 | O15 | 123.8° | 44.3° |
| C24 | N16 | C17 | H9 | 159.1° | 4.2° |
| N16 | C24 | H14 | H15 | 111.9° | 120.0° |
| C25 | C24 | N16 | S13 | 48.2° | 96.6° |
| C24 | C25 | N26 | C29 | 179.6° | 179.8° |
| C24 | C25 | N26 | N27 | 179.7° | 180.0° |
| C24 | C25 | C29 | N28 | 179.5° | 180.0° |
| C25 | C24 | H14 | H15 | 111.9° | 120.0° |
| C24 | C25 | C29 | H36 | 0.5° | 0.1° |
| N16 | S13 | C10 | C9 | 69.5° | 83.2° |
| N16 | S13 | C10 | O14 | 112.6° | 113.6° |
| N16 | S13 | C10 | O15 | 138.9° | 113.5° |
| N16 | S13 | C10 | C11 | 113.5° | 96.7° |
| N16 | S13 | O14 | O15 | 122.5° | 123.0° |
| S13 | N16 | C17 | H9 | 27.0° | 175.8° |
| S13 | N16 | C24 | H14 | 170.6° | 143.4° |
| S13 | N16 | C24 | H15 | 74.2° | 23.4° |
| C2 | C3 | C4 | H41 | 180.0° | 179.9° |
| C3 | C2 | C1 | H1 | 180.0° | 179.7° |
| C2 | C3 | C4 | C5 | 1.3° | 0.0° |
| C3 | C2 | C1 | C7 | 178.2° | 179.8° |
| C3 | C2 | C1 | C6 | 0.9° | 0.3° |
| C2 | C3 | C4 | H2 | 178.7° | 179.7° |
| C4 | C3 | C2 | C1 | 0.8° | 0.0° |
| C3 | C4 | C5 | H2 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 0.2° | 0.3° |
| C4 | C3 | C2 | H1 | 179.2° | 179.7° |
| C3 | C4 | C5 | H3 | 179.8° | 179.8° |
| C25 | N26 | N27 | N28 | 0.7° | 0.1° |
| N26 | C25 | C29 | N28 | 1.0° | 0.2° |
| N26 | C25 | C24 | H14 | 44.4° | 35.4° |
| N26 | C25 | C24 | H15 | 70.8° | 155.4° |
| N26 | C25 | C29 | H36 | 179.0° | 179.7° |
| N27 | N26 | C25 | C29 | 0.1° | 0.2° |
| N26 | N27 | N28 | C29 | 1.3° | 0.0° |
| N26 | N27 | N28 | C30 | 179.0° | 180.0° |
| C2 | C1 | C7 | C8 | 14.5° | 0.3° |
| C2 | C1 | C7 | C6 | 177.3° | 179.9° |
| C2 | C1 | C7 | C12 | 168.6° | 180.0° |
| C2 | C1 | C6 | C5 | 2.1° | 0.6° |
| C2 | C1 | C6 | H4 | 177.9° | 180.0° |
| C1 | C2 | C3 | H41 | 179.2° | 179.9° |
| C4 | C5 | C6 | C1 | 1.5° | 0.6° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C4 | C5 | C6 | H4 | 178.5° | 180.0° |
| C5 | C4 | C3 | H41 | 178.7° | 179.9° |
| C51 | C50 | N49 | O52 | 176.9° | 180.0° |
| C51 | C50 | N49 | C35 | 138.6° | 180.0° |
| C50 | C51 | H16 | H17 | 120.0° | 120.1° |
| C50 | C51 | H16 | H18 | 120.0° | 120.0° |
| C50 | C51 | H17 | H18 | 120.0° | 120.0° |
| C51 | C50 | N49 | H19 | 41.5° | 0.0° |
| C25 | C29 | N28 | N27 | 1.4° | 0.2° |
| C25 | C29 | N28 | H36 | 180.0° | 179.9° |
| C25 | C29 | N28 | C30 | 178.9° | 179.8° |
| C29 | C25 | C24 | H14 | 135.1° | 144.9° |
| C29 | C25 | C24 | H15 | 109.7° | 24.8° |
| C7 | C8 | C9 | H5 | 180.0° | 179.9° |
| C8 | C7 | C1 | C12 | 176.9° | 179.8° |
| C8 | C7 | C1 | C6 | 162.8° | 179.8° |
| C7 | C8 | C9 | C10 | 0.2° | 0.1° |
| C8 | C7 | C12 | C11 | 2.0° | 0.0° |
| C7 | C8 | C9 | H6 | 179.8° | 180.0° |
| C8 | C7 | C12 | H8 | 178.0° | 180.0° |
| C9 | C8 | C7 | C1 | 179.0° | 179.7° |
| C9 | C8 | C7 | C12 | 2.3° | 0.1° |
| C8 | C9 | C10 | H6 | 180.0° | 179.9° |
| C8 | C9 | C10 | S13 | 179.4° | 180.0° |
| C8 | C9 | C10 | C11 | 2.3° | 0.1° |
| C1 | C7 | C12 | C11 | 178.7° | 179.7° |
| C7 | C1 | C6 | C5 | 179.3° | 179.5° |
| C7 | C1 | C2 | H1 | 1.8° | 0.1° |
| C7 | C1 | C6 | H4 | 0.7° | 0.1° |
| C1 | C7 | C8 | H5 | 1.0° | 0.2° |
| C1 | C7 | C12 | H8 | 1.3° | 0.2° |
| C6 | C1 | C7 | C12 | 14.1° | 0.0° |
| C1 | C6 | C5 | H4 | 180.0° | 179.4° |
| C6 | C1 | C2 | H1 | 179.1° | 180.0° |
| C1 | C6 | C5 | H3 | 178.5° | 179.5° |
| C7 | C12 | C11 | C10 | 0.6° | 0.0° |
| C7 | C12 | C11 | H8 | 180.0° | 180.0° |
| C12 | C7 | C8 | H5 | 177.7° | 180.0° |
| C7 | C12 | C11 | H7 | 179.4° | 180.0° |
| C9 | C10 | S13 | C11 | 177.0° | 180.0° |
| C9 | C10 | C11 | C12 | 2.7° | 0.0° |
| C9 | C10 | S13 | O14 | 43.1° | 163.2° |
| C9 | C10 | S13 | O15 | 151.6° | 30.3° |
| C10 | C9 | C8 | H5 | 179.8° | 180.0° |
| C9 | C10 | C11 | H7 | 177.4° | 180.0° |
| S13 | C10 | C11 | C12 | 179.7° | 180.0° |
| C10 | S13 | O14 | O15 | 114.4° | 122.9° |
| S13 | C10 | C9 | H6 | 0.7° | 0.1° |
| S13 | C10 | C11 | H7 | 0.4° | 0.0° |
| C10 | C11 | C12 | H7 | 180.0° | 180.0° |
| C11 | C10 | S13 | O14 | 133.9° | 16.8° |
| C11 | C10 | S13 | O15 | 25.4° | 149.7° |
| C11 | C10 | C9 | H6 | 177.7° | 180.0° |
| C10 | C11 | C12 | H8 | 179.4° | 180.0° |
| C6 | C5 | C4 | H2 | 179.8° | 180.0° |
| N27 | N28 | C29 | C30 | 179.7° | 180.0° |
| N27 | N28 | C30 | C35 | 40.2° | 55.0° |
| N27 | N28 | C30 | O31 | 150.2° | 65.0° |
| N27 | N28 | C30 | H35 | 82.2° | 175.0° |
| N27 | N28 | C29 | H36 | 178.6° | 179.8° |
| C29 | N28 | C30 | C35 | 140.1° | 125.0° |
| C29 | N28 | C30 | O31 | 30.1° | 115.1° |
| C29 | N28 | C30 | H35 | 97.5° | 5.0° |
| C50 | N49 | C35 | H19 | 180.0° | 179.9° |
| C50 | N49 | C35 | C30 | 153.5° | 85.0° |
| C50 | N49 | C35 | C34 | 82.2° | 155.3° |
| N49 | C50 | C51 | H16 | 177.4° | 0.0° |
| N49 | C50 | C51 | H17 | 57.4° | 120.0° |
| N49 | C50 | C51 | H18 | 62.6° | 120.0° |
| C50 | N49 | C35 | H20 | 36.2° | 35.2° |
| O52 | C50 | N49 | C35 | 44.6° | 0.0° |
| O52 | C50 | C51 | H16 | 0.0° | 180.0° |
| O52 | C50 | C51 | H17 | 120.0° | 60.0° |
| O52 | C50 | C51 | H18 | 120.0° | 60.0° |
| O52 | C50 | N49 | H19 | 135.4° | 180.0° |
| N28 | C30 | C35 | N49 | 46.0° | 62.5° |
| N28 | C30 | C35 | O31 | 116.2° | 120.0° |
| N28 | C30 | C35 | H35 | 122.5° | 120.0° |
| N28 | C30 | C35 | C34 | 172.1° | 177.6° |
| N28 | C30 | O31 | H35 | 127.1° | 120.0° |
| N28 | C30 | O31 | C32 | 170.2° | 178.8° |
| N28 | C30 | C35 | H20 | 71.9° | 57.6° |
| C30 | N28 | C29 | H36 | 1.1° | 0.3° |
| N49 | C35 | C30 | C34 | 126.1° | 119.9° |
| N49 | C35 | C30 | H20 | 117.9° | 120.1° |
| N49 | C35 | C34 | H20 | 119.2° | 120.1° |
| N49 | C35 | C30 | O31 | 162.1° | 177.5° |
| N49 | C35 | C34 | O42 | 70.1° | 63.2° |
| N49 | C35 | C34 | C33 | 164.8° | 176.9° |
| N49 | C35 | C34 | H21 | 45.4° | 56.9° |
| N49 | C35 | C30 | H35 | 76.6° | 57.5° |
| C30 | C35 | C34 | H20 | 116.3° | 120.0° |
| C35 | C30 | O31 | H35 | 120.5° | 120.0° |
| C35 | C30 | O31 | C32 | 57.7° | 61.2° |
| C30 | C35 | C34 | O42 | 165.3° | 176.9° |
| C30 | C35 | C34 | C33 | 40.2° | 57.0° |
| C30 | C35 | N49 | H19 | 26.5° | 95.0° |
| C30 | C35 | C34 | H21 | 79.2° | 63.0° |
| C34 | C35 | C30 | O31 | 71.8° | 57.6° |
| C35 | C34 | O42 | C33 | 124.7° | 119.6° |
| C35 | C34 | O42 | H21 | 114.7° | 120.1° |
| C35 | C34 | C33 | H21 | 119.6° | 119.9° |
| C35 | C34 | O42 | C43 | 178.9° | 150.0° |
| C35 | C34 | C33 | C32 | 9.6° | 56.9° |
| C35 | C34 | C33 | O41 | 121.1° | 176.9° |
| C34 | C35 | N49 | H19 | 97.7° | 24.8° |
| C35 | C34 | C33 | H25 | 124.9° | 63.0° |
| C34 | C35 | C30 | H35 | 49.5° | 62.4° |
| C30 | O31 | C32 | C33 | 9.4° | 61.2° |
| C30 | O31 | C32 | C36 | 130.9° | 178.8° |
| O31 | C30 | C35 | H20 | 44.2° | 62.4° |
| C30 | O31 | C32 | H29 | 110.1° | 58.8° |
| O31 | C32 | C33 | C34 | 26.0° | 57.6° |
| O31 | C32 | C33 | C36 | 124.6° | 120.0° |
| O31 | C32 | C33 | H29 | 120.1° | 120.0° |
| O31 | C32 | C36 | H29 | 119.6° | 120.1° |
| O31 | C32 | C33 | O41 | 101.6° | 177.5° |
| O31 | C32 | C36 | O37 | 50.4° | 65.1° |
| O31 | C32 | C33 | H25 | 141.4° | 62.3° |
| O31 | C32 | C36 | H30 | 172.3° | 174.9° |
| O31 | C32 | C36 | H31 | 71.4° | 54.9° |
| C32 | O31 | C30 | H35 | 62.8° | 58.8° |
| O42 | C34 | C33 | H21 | 121.4° | 120.2° |
| C34 | O42 | C43 | C44 | 160.6° | 180.0° |
| C34 | O42 | C43 | O45 | 19.3° | 0.0° |
| O42 | C34 | C33 | C32 | 109.5° | 176.9° |
| O42 | C34 | C33 | O41 | 119.8° | 63.2° |
| O42 | C34 | C35 | H20 | 49.1° | 56.9° |
| O42 | C34 | C33 | H25 | 5.9° | 56.9° |
| C33 | C34 | O42 | C43 | 56.4° | 90.4° |
| C34 | C33 | C32 | O41 | 127.7° | 119.9° |
| C34 | C33 | C32 | H25 | 115.3° | 119.9° |
| C34 | C33 | C32 | C36 | 98.6° | 177.6° |
| C34 | C33 | O41 | H25 | 113.1° | 120.1° |
| C34 | C33 | O41 | C46 | 124.7° | 150.0° |
| C33 | C34 | C35 | H20 | 76.0° | 63.0° |
| C34 | C33 | C32 | H29 | 146.2° | 62.4° |
| O42 | C43 | C44 | O45 | 179.9° | 179.9° |
| C43 | O42 | C34 | H21 | 64.3° | 29.8° |
| O42 | C43 | C44 | H22 | 180.0° | 90.0° |
| O42 | C43 | C44 | H23 | 60.0° | 150.0° |
| O42 | C43 | C44 | H24 | 59.9° | 29.9° |
| C43 | C44 | H22 | H23 | 120.0° | 119.9° |
| C43 | C44 | H22 | H24 | 120.0° | 120.0° |
| C43 | C44 | H23 | H24 | 120.0° | 120.1° |
| O45 | C43 | C44 | H22 | 0.0° | 90.0° |
| O45 | C43 | C44 | H23 | 120.0° | 29.9° |
| O45 | C43 | C44 | H24 | 120.0° | 150.0° |
| C33 | C32 | C36 | H29 | 115.2° | 120.0° |
| C32 | C33 | O41 | H25 | 116.3° | 120.2° |
| C33 | C32 | C36 | O37 | 175.7° | 175.0° |
| C32 | C33 | O41 | C46 | 104.6° | 90.3° |
| C32 | C33 | C34 | H21 | 129.1° | 62.9° |
| C33 | C32 | C36 | H30 | 62.4° | 54.9° |
| C33 | C32 | C36 | H31 | 53.8° | 65.0° |
| C36 | C32 | C33 | O41 | 133.7° | 62.5° |
| C32 | C36 | O37 | H30 | 121.9° | 120.1° |
| C32 | C36 | O37 | H31 | 121.8° | 120.0° |
| C32 | C36 | O37 | C38 | 95.2° | 179.9° |
| C36 | C32 | C33 | H25 | 16.7° | 57.7° |
| C32 | C36 | H30 | H31 | 113.9° | 120.0° |
| C33 | O41 | C46 | O48 | 52.4° | 0.0° |
| C33 | O41 | C46 | C47 | 126.7° | 179.9° |
| O41 | C33 | C34 | H21 | 1.6° | 57.0° |
| O41 | C33 | C32 | H29 | 18.5° | 57.5° |
| C36 | O37 | C38 | O40 | 151.6° | 0.0° |
| C36 | O37 | C38 | C39 | 27.3° | 180.0° |
| O37 | C36 | C32 | H29 | 69.1° | 55.0° |
| O37 | C36 | H30 | H31 | 113.9° | 120.0° |
| O37 | C38 | O40 | C39 | 178.9° | 180.0° |
| C38 | O37 | C36 | H30 | 26.6° | 60.0° |
| C38 | O37 | C36 | H31 | 142.9° | 60.0° |
| O37 | C38 | C39 | H32 | 178.9° | 90.0° |
| O37 | C38 | C39 | H33 | 58.9° | 150.0° |
| O37 | C38 | C39 | H34 | 61.1° | 30.0° |
| O41 | C46 | O48 | C47 | 179.1° | 180.0° |
| C46 | O41 | C33 | H25 | 11.6° | 29.9° |
| O41 | C46 | C47 | H26 | 179.1° | 90.0° |
| O41 | C46 | C47 | H27 | 59.1° | 150.0° |
| O41 | C46 | C47 | H28 | 60.9° | 29.9° |
| O40 | C38 | C39 | H32 | 0.0° | 90.0° |
| O40 | C38 | C39 | H33 | 120.0° | 30.0° |
| O40 | C38 | C39 | H34 | 120.0° | 150.0° |
| C38 | C39 | H32 | H33 | 120.0° | 120.0° |
| C38 | C39 | H32 | H34 | 120.0° | 120.1° |
| C38 | C39 | H33 | H34 | 120.0° | 120.1° |
| O48 | C46 | C47 | H26 | 0.0° | 90.0° |
| O48 | C46 | C47 | H27 | 120.0° | 29.9° |
| O48 | C46 | C47 | H28 | 120.0° | 150.0° |
| C46 | C47 | H26 | H27 | 120.0° | 120.0° |
| C46 | C47 | H26 | H28 | 120.0° | 120.0° |
| C46 | C47 | H27 | H28 | 120.0° | 120.1° |
| H1 | C2 | C3 | H41 | 0.8° | 0.2° |
| H2 | C4 | C5 | H3 | 0.2° | 0.0° |
| H2 | C4 | C3 | H41 | 1.3° | 0.2° |
| H3 | C5 | C6 | H4 | 1.5° | 0.1° |
| H5 | C8 | C9 | H6 | 0.2° | 0.1° |
| H7 | C11 | C12 | H8 | 0.6° | 0.0° |
| H9 | C17 | C21 | H10 | 158.1° | 174.3° |
| H10 | C21 | C22 | H11 | 64.2° | 180.0° |
| H10 | C21 | C22 | H12 | 175.8° | 60.0° |
| H10 | C21 | C22 | H13 | 55.8° | 60.0° |
| H10 | C21 | C23 | H37 | 62.3° | 60.0° |
| H10 | C21 | C23 | H38 | 177.8° | 60.0° |
| H10 | C21 | C23 | H39 | 57.8° | 180.0° |
| H11 | C22 | H12 | H13 | 120.0° | 120.0° |
| H16 | C51 | H17 | H18 | 120.0° | 119.9° |
| H19 | N49 | C35 | H20 | 143.9° | 144.9° |
| H20 | C35 | C34 | H21 | 164.6° | 177.0° |
| H20 | C35 | C30 | H35 | 165.5° | 177.7° |
| H21 | C34 | C33 | H25 | 115.5° | 177.1° |
| H22 | C44 | H23 | H24 | 120.0° | 120.0° |
| H25 | C33 | C32 | H29 | 98.5° | 177.7° |
| H26 | C47 | H27 | H28 | 120.0° | 119.9° |
| H29 | C32 | C36 | H30 | 52.7° | 65.0° |
| H29 | C32 | C36 | H31 | 169.0° | 175.0° |
| H32 | C39 | H33 | H34 | 119.9° | 119.9° |
| H37 | C23 | H38 | H39 | 120.0° | 119.9° |
