GRW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N53 | N52 | doub | 1.12Å | 1.05Å | |
| N52 | N51 | doub | 1.12Å | 1.07Å | |
| N51 | C6 | sing | 1.47Å | 1.45Å | |
| C56 | C57 | doub | 1.38Å | 1.39Å | Aromatic |
| C56 | C55 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C54 | sing | 1.53Å | 1.48Å | |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| C57 | C58 | sing | 1.38Å | 1.39Å | Aromatic |
| C54 | C55 | sing | 1.51Å | 1.36Å | |
| C42 | C41 | sing | 1.53Å | 1.51Å | |
| C41 | C43 | sing | 1.53Å | 1.50Å | |
| C41 | C40 | sing | 1.53Å | 1.51Å | |
| C7 | N8 | sing | 1.35Å | 1.32Å | |
| C7 | O44 | doub | 1.21Å | 1.21Å | |
| C55 | C60 | doub | 1.38Å | 1.36Å | Aromatic |
| N8 | C9 | sing | 1.46Å | 1.46Å | |
| C58 | C59 | doub | 1.38Å | 1.38Å | Aromatic |
| C40 | C9 | sing | 1.53Å | 1.51Å | |
| C9 | C10 | sing | 1.51Å | 1.50Å | |
| C60 | C59 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | O39 | doub | 1.21Å | 1.21Å | |
| C10 | N11 | sing | 1.35Å | 1.31Å | |
| N11 | C12 | sing | 1.47Å | 1.44Å | |
| O33 | C32 | sing | 1.43Å | 1.40Å | |
| C14 | C32 | sing | 1.53Å | 1.51Å | |
| C12 | C32 | sing | 1.53Å | 1.51Å | |
| C12 | C13 | sing | 1.51Å | 1.49Å | |
| O31 | C13 | doub | 1.21Å | 1.21Å | |
| C13 | N14 | sing | 1.35Å | 1.30Å | |
| C21 | N22 | sing | 1.47Å | 1.32Å | |
| C21 | C20 | sing | 1.51Å | 1.37Å | |
| C23 | C20 | doub | 1.38Å | 1.37Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.37Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| N14 | C15 | sing | 1.47Å | 1.45Å | |
| C24 | C17 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | C25 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | S27 | sing | 1.81Å | 1.78Å | |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.38Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C26 | S27 | sing | 1.81Å | 1.80Å | |
| S27 | O30 | doub | 1.42Å | 1.50Å | |
| S27 | O29 | doub | 1.42Å | 1.51Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.08Å | 1.08Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.08Å | 1.08Å | |
| N22 | H12 | sing | 1.01Å | 1.00Å | |
| N22 | H13 | sing | 1.01Å | 1.00Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| N14 | H21 | sing | 0.97Å | 1.00Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| O33 | H27 | sing | 0.97Å | 0.95Å | |
| N11 | H28 | sing | 0.97Å | 1.00Å | |
| C9 | H29 | sing | 1.09Å | 1.10Å | |
| C40 | H30 | sing | 1.09Å | 1.10Å | |
| C40 | H31 | sing | 1.09Å | 1.10Å | |
| C41 | H32 | sing | 1.09Å | 1.10Å | |
| C43 | H33 | sing | 1.09Å | 1.10Å | |
| C43 | H34 | sing | 1.09Å | 1.10Å | |
| C43 | H35 | sing | 1.09Å | 1.10Å | |
| C42 | H36 | sing | 1.09Å | 1.10Å | |
| C42 | H37 | sing | 1.09Å | 1.10Å | |
| C42 | H38 | sing | 1.09Å | 1.10Å | |
| N8 | H39 | sing | 0.97Å | 1.00Å | |
| C54 | H41 | sing | 1.09Å | 1.10Å | |
| C54 | H42 | sing | 1.09Å | 1.10Å | |
| C56 | H43 | sing | 1.08Å | 1.08Å | |
| C57 | H44 | sing | 1.08Å | 1.08Å | |
| C58 | H45 | sing | 1.08Å | 1.08Å | |
| C59 | H46 | sing | 1.08Å | 1.08Å | |
| C60 | H47 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N53 | N52 | N51 | 178.9° | 179.9° |
| N52 | N51 | C6 | 177.1° | 120.0° |
| N51 | C6 | C54 | 105.2° | 109.5° |
| N51 | C6 | C7 | 109.1° | 109.4° |
| N51 | C6 | H1 | 112.5° | 109.4° |
| C57 | C56 | C55 | 118.5° | 120.0° |
| C56 | C57 | C58 | 120.3° | 120.0° |
| C57 | C56 | H43 | 120.7° | 120.0° |
| C56 | C57 | H44 | 119.9° | 120.0° |
| C56 | C55 | C54 | 123.1° | 120.0° |
| C56 | C55 | C60 | 121.1° | 120.0° |
| C55 | C56 | H43 | 120.8° | 120.0° |
| C54 | C6 | C7 | 105.8° | 109.5° |
| C6 | C54 | C55 | 114.5° | 109.5° |
| C54 | C6 | H1 | 112.0° | 109.5° |
| C6 | C54 | H41 | 108.2° | 109.5° |
| C6 | C54 | H42 | 108.2° | 109.5° |
| C6 | C7 | N8 | 117.8° | 120.0° |
| C6 | C7 | O44 | 119.5° | 120.0° |
| C7 | C6 | H1 | 111.8° | 109.5° |
| C57 | C58 | C59 | 119.6° | 120.0° |
| C58 | C57 | H44 | 119.8° | 120.0° |
| C57 | C58 | H45 | 120.2° | 120.1° |
| C54 | C55 | C60 | 115.7° | 120.0° |
| C55 | C54 | H41 | 108.2° | 109.5° |
| C55 | C54 | H42 | 108.2° | 109.5° |
| C42 | C41 | C43 | 107.4° | 109.5° |
| C42 | C41 | C40 | 109.2° | 109.5° |
| C42 | C41 | H32 | 110.1° | 109.5° |
| C41 | C42 | H36 | 109.5° | 109.4° |
| C41 | C42 | H37 | 109.5° | 109.5° |
| C41 | C42 | H38 | 109.5° | 109.4° |
| C43 | C41 | C40 | 109.9° | 109.5° |
| C43 | C41 | H32 | 110.2° | 109.4° |
| C41 | C43 | H33 | 109.5° | 109.5° |
| C41 | C43 | H34 | 109.5° | 109.5° |
| C41 | C43 | H35 | 109.5° | 109.4° |
| C41 | C40 | C9 | 110.1° | 109.5° |
| C41 | C40 | H30 | 109.3° | 109.5° |
| C41 | C40 | H31 | 109.3° | 109.5° |
| C40 | C41 | H32 | 110.0° | 109.4° |
| N8 | C7 | O44 | 122.6° | 120.0° |
| C7 | N8 | C9 | 119.3° | 120.0° |
| C7 | N8 | H39 | 120.3° | 120.0° |
| C55 | C60 | C59 | 119.8° | 120.0° |
| C55 | C60 | H47 | 120.1° | 120.0° |
| N8 | C9 | C40 | 111.8° | 109.4° |
| N8 | C9 | C10 | 108.2° | 109.5° |
| N8 | C9 | H29 | 110.5° | 109.5° |
| C9 | N8 | H39 | 120.3° | 120.0° |
| C58 | C59 | C60 | 120.6° | 120.0° |
| C59 | C58 | H45 | 120.2° | 120.0° |
| C58 | C59 | H46 | 119.7° | 120.0° |
| C40 | C9 | C10 | 106.7° | 109.5° |
| C40 | C9 | H29 | 109.8° | 109.5° |
| C9 | C40 | H30 | 109.3° | 109.5° |
| C9 | C40 | H31 | 109.3° | 109.5° |
| C9 | C10 | O39 | 121.1° | 120.0° |
| C9 | C10 | N11 | 116.9° | 120.0° |
| C10 | C9 | H29 | 109.9° | 109.4° |
| C60 | C59 | H46 | 119.7° | 120.0° |
| C59 | C60 | H47 | 120.1° | 120.0° |
| O39 | C10 | N11 | 122.0° | 120.0° |
| C10 | N11 | C12 | 118.7° | 120.0° |
| C10 | N11 | H28 | 120.7° | 120.1° |
| N11 | C12 | C32 | 110.8° | 109.5° |
| N11 | C12 | C13 | 107.5° | 109.5° |
| N11 | C12 | H22 | 110.8° | 109.5° |
| C12 | N11 | H28 | 120.6° | 120.0° |
| O33 | C32 | C14 | 108.7° | 109.5° |
| O33 | C32 | C12 | 108.4° | 109.5° |
| O33 | C32 | H23 | 111.3° | 109.5° |
| C32 | O33 | H27 | 109.5° | 113.9° |
| C14 | C32 | C12 | 109.2° | 109.5° |
| C14 | C32 | H23 | 109.6° | 109.4° |
| C32 | C14 | H24 | 109.5° | 109.5° |
| C32 | C14 | H25 | 109.5° | 109.5° |
| C32 | C14 | H26 | 109.5° | 109.5° |
| C32 | C12 | C13 | 107.7° | 109.5° |
| C32 | C12 | H22 | 109.9° | 109.4° |
| C12 | C32 | H23 | 109.6° | 109.5° |
| C12 | C13 | O31 | 121.9° | 120.0° |
| C12 | C13 | N14 | 115.5° | 120.0° |
| C13 | C12 | H22 | 110.1° | 109.5° |
| O31 | C13 | N14 | 122.6° | 120.0° |
| C13 | N14 | C15 | 120.2° | 120.0° |
| C13 | N14 | H21 | 119.9° | 120.0° |
| N22 | C21 | C20 | 114.9° | 109.5° |
| N22 | C21 | H3 | 108.1° | 109.5° |
| N22 | C21 | H4 | 108.1° | 109.5° |
| C21 | N22 | H12 | 109.5° | 111.0° |
| C21 | N22 | H13 | 109.5° | 111.0° |
| C21 | C20 | C23 | 119.1° | 120.0° |
| C21 | C20 | C19 | 121.2° | 120.0° |
| C20 | C21 | H3 | 108.1° | 109.4° |
| C20 | C21 | H4 | 108.1° | 109.5° |
| C20 | C23 | C24 | 121.2° | 120.0° |
| C23 | C20 | C19 | 119.7° | 120.0° |
| C20 | C23 | H11 | 119.4° | 120.0° |
| C23 | C24 | C17 | 119.7° | 120.0° |
| C23 | C24 | H5 | 120.1° | 120.0° |
| C24 | C23 | H11 | 119.4° | 120.0° |
| C20 | C19 | C18 | 119.2° | 120.0° |
| C20 | C19 | H15 | 120.4° | 120.0° |
| N14 | C15 | C25 | 108.9° | 109.5° |
| N14 | C15 | C16 | 107.8° | 109.5° |
| N14 | C15 | H2 | 110.8° | 109.4° |
| C15 | N14 | H21 | 119.9° | 120.0° |
| C24 | C17 | C18 | 119.1° | 120.0° |
| C24 | C17 | C16 | 120.0° | 120.0° |
| C17 | C24 | H5 | 120.1° | 120.0° |
| C25 | C15 | C16 | 110.0° | 109.5° |
| C15 | C25 | C26 | 106.3° | 109.4° |
| C25 | C15 | H2 | 109.6° | 109.5° |
| C15 | C25 | H19 | 110.2° | 109.5° |
| C15 | C25 | H20 | 110.2° | 109.5° |
| C15 | C16 | C17 | 110.7° | 109.4° |
| C16 | C15 | H2 | 109.8° | 109.5° |
| C15 | C16 | H17 | 109.2° | 109.4° |
| C15 | C16 | H18 | 109.2° | 109.4° |
| C19 | C18 | C17 | 121.0° | 120.0° |
| C18 | C19 | H15 | 120.4° | 120.0° |
| C19 | C18 | H16 | 119.5° | 120.0° |
| C28 | S27 | C26 | 118.9° | 102.0° |
| C28 | S27 | O30 | 106.3° | 108.6° |
| C28 | S27 | O29 | 109.4° | 108.6° |
| S27 | C28 | H8 | 109.5° | 109.5° |
| S27 | C28 | H9 | 109.5° | 109.5° |
| S27 | C28 | H10 | 109.5° | 109.5° |
| C18 | C17 | C16 | 120.9° | 120.0° |
| C17 | C18 | H16 | 119.5° | 120.0° |
| C17 | C16 | H17 | 109.2° | 109.5° |
| C17 | C16 | H18 | 109.2° | 109.5° |
| C25 | C26 | S27 | 118.5° | 109.4° |
| C25 | C26 | H6 | 107.2° | 109.5° |
| C25 | C26 | H7 | 107.2° | 109.5° |
| C26 | C25 | H19 | 110.2° | 109.5° |
| C26 | C25 | H20 | 110.3° | 109.5° |
| C26 | S27 | O30 | 106.4° | 108.6° |
| C26 | S27 | O29 | 105.0° | 108.6° |
| S27 | C26 | H6 | 107.2° | 109.5° |
| S27 | C26 | H7 | 107.2° | 109.5° |
| O30 | S27 | O29 | 110.8° | 119.2° |
| H3 | C21 | H4 | 109.5° | 109.4° |
| H6 | C26 | H7 | 109.4° | 109.5° |
| H8 | C28 | H9 | 109.4° | 109.4° |
| H8 | C28 | H10 | 109.5° | 109.4° |
| H9 | C28 | H10 | 109.5° | 109.5° |
| H12 | N22 | H13 | 109.5° | 111.0° |
| H17 | C16 | H18 | 109.5° | 109.5° |
| H19 | C25 | H20 | 109.5° | 109.5° |
| H24 | C14 | H25 | 109.5° | 109.4° |
| H24 | C14 | H26 | 109.4° | 109.5° |
| H25 | C14 | H26 | 109.4° | 109.4° |
| H30 | C40 | H31 | 109.5° | 109.5° |
| H33 | C43 | H34 | 109.5° | 109.5° |
| H33 | C43 | H35 | 109.4° | 109.4° |
| H34 | C43 | H35 | 109.4° | 109.5° |
| H36 | C42 | H37 | 109.5° | 109.6° |
| H36 | C42 | H38 | 109.5° | 109.5° |
| H37 | C42 | H38 | 109.5° | 109.5° |
| H41 | C54 | H42 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N53 | N52 | N51 | C6 | 9.8° | 104.0° |
| N52 | N51 | C6 | C54 | 1.8° | 175.0° |
| N52 | N51 | C6 | C7 | 111.4° | 65.0° |
| N52 | N51 | C6 | H1 | 124.0° | 55.0° |
| N51 | C6 | C54 | C7 | 115.4° | 120.0° |
| N51 | C6 | C54 | H1 | 122.5° | 120.0° |
| N51 | C6 | C7 | H1 | 125.1° | 119.9° |
| N51 | C6 | C54 | C55 | 121.8° | 65.0° |
| N51 | C6 | C7 | N8 | 71.4° | 160.0° |
| N51 | C6 | C7 | O44 | 109.9° | 20.0° |
| N51 | C6 | C54 | H41 | 117.5° | 175.0° |
| N51 | C6 | C54 | H42 | 1.0° | 55.1° |
| C57 | C56 | C55 | H43 | 180.0° | 180.0° |
| C56 | C57 | C58 | H44 | 180.0° | 179.9° |
| C57 | C56 | C55 | C54 | 177.5° | 180.0° |
| C57 | C56 | C55 | C60 | 0.5° | 0.2° |
| C56 | C57 | C58 | C59 | 0.3° | 0.0° |
| C56 | C57 | C58 | H45 | 179.7° | 180.0° |
| C56 | C55 | C54 | C6 | 78.1° | 89.7° |
| C55 | C56 | C57 | C58 | 0.8° | 0.0° |
| C56 | C55 | C54 | C60 | 178.1° | 179.7° |
| C56 | C55 | C60 | C59 | 0.4° | 0.5° |
| C56 | C55 | C54 | H41 | 161.2° | 150.3° |
| C56 | C55 | C54 | H42 | 42.7° | 30.3° |
| C55 | C56 | C57 | H44 | 179.2° | 179.9° |
| C56 | C55 | C60 | H47 | 179.6° | 179.7° |
| C54 | C6 | C7 | H1 | 122.2° | 120.0° |
| C6 | C54 | C55 | H41 | 120.7° | 120.0° |
| C6 | C54 | C55 | H42 | 120.8° | 120.1° |
| C54 | C6 | C7 | N8 | 41.2° | 80.0° |
| C54 | C6 | C7 | O44 | 137.4° | 100.0° |
| C6 | C54 | C55 | C60 | 103.9° | 90.0° |
| C6 | C54 | H41 | H42 | 117.7° | 120.0° |
| C7 | C6 | C54 | C55 | 122.9° | 175.0° |
| C6 | C7 | N8 | O44 | 178.6° | 180.0° |
| C6 | C7 | N8 | C9 | 178.9° | 175.0° |
| C6 | C7 | N8 | H39 | 1.1° | 5.0° |
| C7 | C6 | C54 | H41 | 2.1° | 55.0° |
| C7 | C6 | C54 | H42 | 116.4° | 64.9° |
| C57 | C58 | C59 | H45 | 180.0° | 180.0° |
| C57 | C58 | C59 | C60 | 0.6° | 0.2° |
| C58 | C57 | C56 | H43 | 179.2° | 180.0° |
| C57 | C58 | C59 | H46 | 179.4° | 180.0° |
| C54 | C55 | C60 | C59 | 178.5° | 179.8° |
| C55 | C54 | C6 | H1 | 0.8° | 55.0° |
| C55 | C54 | H41 | H42 | 117.7° | 120.0° |
| C54 | C55 | C56 | H43 | 2.5° | 0.0° |
| C54 | C55 | C60 | H47 | 1.5° | 0.0° |
| C42 | C41 | C43 | C40 | 118.7° | 120.1° |
| C42 | C41 | C43 | H32 | 119.9° | 120.0° |
| C42 | C41 | C40 | H32 | 121.0° | 120.0° |
| C42 | C41 | C40 | C9 | 170.1° | 173.7° |
| C42 | C41 | C40 | H30 | 69.8° | 66.3° |
| C42 | C41 | C40 | H31 | 50.0° | 53.7° |
| C42 | C41 | C43 | H33 | 180.0° | 63.7° |
| C42 | C41 | C43 | H34 | 60.0° | 176.2° |
| C42 | C41 | C43 | H35 | 60.0° | 56.2° |
| C41 | C42 | H36 | H37 | 120.0° | 120.0° |
| C41 | C42 | H36 | H38 | 120.0° | 119.9° |
| C41 | C42 | H37 | H38 | 120.0° | 120.0° |
| C43 | C41 | C40 | H32 | 121.5° | 119.9° |
| C43 | C41 | C40 | C9 | 72.3° | 66.2° |
| C43 | C41 | C40 | H30 | 47.8° | 53.8° |
| C43 | C41 | C40 | H31 | 167.6° | 173.8° |
| C41 | C43 | H33 | H34 | 120.1° | 120.1° |
| C41 | C43 | H33 | H35 | 120.0° | 119.9° |
| C41 | C43 | H34 | H35 | 120.0° | 120.0° |
| C43 | C41 | C42 | H36 | 180.0° | 60.0° |
| C43 | C41 | C42 | H37 | 60.0° | 179.9° |
| C43 | C41 | C42 | H38 | 60.0° | 60.0° |
| C41 | C40 | C9 | N8 | 76.0° | 177.8° |
| C41 | C40 | C9 | H30 | 120.1° | 120.0° |
| C41 | C40 | C9 | H31 | 120.1° | 120.0° |
| C41 | C40 | C9 | C10 | 165.9° | 62.2° |
| C41 | C40 | C9 | H29 | 46.9° | 57.8° |
| C41 | C40 | H30 | H31 | 119.7° | 120.0° |
| C40 | C41 | C43 | H33 | 61.3° | 176.3° |
| C40 | C41 | C43 | H34 | 178.7° | 56.2° |
| C40 | C41 | C43 | H35 | 58.7° | 63.8° |
| C40 | C41 | C42 | H36 | 60.9° | 60.1° |
| C40 | C41 | C42 | H37 | 59.1° | 60.0° |
| C40 | C41 | C42 | H38 | 179.1° | 180.0° |
| C7 | N8 | C9 | H39 | 180.0° | 180.0° |
| C7 | N8 | C9 | C40 | 163.5° | 88.2° |
| C7 | N8 | C9 | C10 | 79.3° | 151.8° |
| N8 | C7 | C6 | H1 | 163.5° | 40.0° |
| C7 | N8 | C9 | H29 | 41.0° | 31.8° |
| O44 | C7 | N8 | C9 | 0.3° | 5.0° |
| O44 | C7 | C6 | H1 | 15.2° | 140.0° |
| O44 | C7 | N8 | H39 | 179.7° | 175.0° |
| C55 | C60 | C59 | C58 | 0.9° | 0.5° |
| C55 | C60 | C59 | H47 | 180.0° | 179.8° |
| C60 | C55 | C54 | H41 | 16.9° | 30.0° |
| C60 | C55 | C54 | H42 | 135.4° | 149.9° |
| C60 | C55 | C56 | H43 | 179.5° | 179.8° |
| C55 | C60 | C59 | H46 | 179.1° | 179.8° |
| N8 | C9 | C40 | C10 | 118.1° | 120.0° |
| N8 | C9 | C40 | H29 | 122.9° | 120.0° |
| N8 | C9 | C10 | H29 | 120.7° | 120.0° |
| N8 | C9 | C10 | O39 | 44.6° | 22.0° |
| N8 | C9 | C10 | N11 | 135.0° | 158.1° |
| N8 | C9 | C40 | H30 | 163.9° | 57.8° |
| N8 | C9 | C40 | H31 | 44.1° | 62.2° |
| C58 | C59 | C60 | H46 | 180.0° | 179.7° |
| C59 | C58 | C57 | H44 | 179.7° | 179.9° |
| C58 | C59 | C60 | H47 | 179.1° | 179.7° |
| C40 | C9 | C10 | H29 | 118.9° | 120.0° |
| C40 | C9 | C10 | O39 | 75.7° | 98.0° |
| C40 | C9 | C10 | N11 | 104.7° | 81.9° |
| C9 | C40 | H30 | H31 | 119.7° | 120.0° |
| C9 | C40 | C41 | H32 | 49.2° | 53.7° |
| C40 | C9 | N8 | H39 | 16.5° | 91.9° |
| C9 | C10 | O39 | N11 | 179.6° | 180.0° |
| C9 | C10 | N11 | C12 | 178.7° | 174.4° |
| C9 | C10 | N11 | H28 | 1.3° | 5.6° |
| C10 | C9 | C40 | H30 | 45.8° | 177.8° |
| C10 | C9 | C40 | H31 | 74.0° | 57.8° |
| C10 | C9 | N8 | H39 | 100.7° | 28.2° |
| C60 | C59 | C58 | H45 | 179.4° | 179.8° |
| O39 | C10 | N11 | C12 | 1.7° | 5.6° |
| O39 | C10 | N11 | H28 | 178.3° | 174.3° |
| O39 | C10 | C9 | H29 | 165.3° | 142.0° |
| C10 | N11 | C12 | H28 | 180.0° | 180.0° |
| C10 | N11 | C12 | C32 | 110.7° | 85.0° |
| C10 | N11 | C12 | C13 | 131.8° | 155.0° |
| C10 | N11 | C12 | H22 | 11.5° | 35.0° |
| N11 | C10 | C9 | H29 | 14.2° | 38.1° |
| N11 | C12 | C32 | O33 | 42.3° | 55.1° |
| N11 | C12 | C32 | C14 | 76.0° | 175.1° |
| N11 | C12 | C32 | C13 | 117.3° | 120.0° |
| N11 | C12 | C32 | H22 | 122.7° | 120.0° |
| N11 | C12 | C13 | H22 | 120.7° | 120.0° |
| N11 | C12 | C13 | O31 | 25.1° | 22.5° |
| N11 | C12 | C13 | N14 | 155.1° | 157.5° |
| N11 | C12 | C32 | H23 | 163.9° | 65.0° |
| O33 | C32 | C14 | C12 | 118.0° | 120.0° |
| O33 | C32 | C14 | H23 | 121.8° | 120.0° |
| O33 | C32 | C12 | H23 | 121.6° | 120.0° |
| O33 | C32 | C12 | C13 | 75.0° | 175.1° |
| O33 | C32 | C12 | H22 | 165.1° | 64.9° |
| O33 | C32 | C14 | H24 | 180.0° | 57.6° |
| O33 | C32 | C14 | H25 | 60.0° | 62.4° |
| O33 | C32 | C14 | H26 | 60.0° | 177.6° |
| C14 | C32 | C12 | H23 | 120.1° | 120.0° |
| C14 | C32 | C12 | C13 | 166.8° | 64.9° |
| C14 | C32 | C12 | H22 | 46.8° | 55.1° |
| C32 | C14 | H24 | H25 | 120.0° | 120.0° |
| C32 | C14 | H24 | H26 | 120.0° | 120.0° |
| C32 | C14 | H25 | H26 | 120.0° | 120.0° |
| C14 | C32 | O33 | H27 | 180.0° | 180.0° |
| C32 | C12 | C13 | H22 | 119.8° | 120.0° |
| C32 | C12 | C13 | O31 | 94.4° | 97.6° |
| C32 | C12 | C13 | N14 | 85.4° | 82.4° |
| C12 | C32 | C14 | H24 | 62.0° | 62.5° |
| C12 | C32 | C14 | H25 | 58.0° | 177.5° |
| C12 | C32 | C14 | H26 | 178.0° | 57.5° |
| C12 | C32 | O33 | H27 | 61.4° | 60.0° |
| C32 | C12 | N11 | H28 | 69.3° | 95.1° |
| C12 | C13 | O31 | N14 | 179.8° | 180.0° |
| C12 | C13 | N14 | C15 | 178.3° | 174.9° |
| C12 | C13 | N14 | H21 | 1.7° | 5.1° |
| C13 | C12 | C32 | H23 | 46.6° | 55.1° |
| C13 | C12 | N11 | H28 | 48.2° | 25.0° |
| O31 | C13 | N14 | C15 | 1.5° | 5.1° |
| O31 | C13 | N14 | H21 | 178.5° | 174.9° |
| O31 | C13 | C12 | H22 | 145.8° | 142.5° |
| C13 | N14 | C15 | H21 | 180.0° | 180.0° |
| C13 | N14 | C15 | C25 | 98.3° | 85.0° |
| C13 | N14 | C15 | C16 | 142.4° | 155.0° |
| C13 | N14 | C15 | H2 | 22.3° | 35.0° |
| N14 | C13 | C12 | H22 | 34.4° | 37.5° |
| N22 | C21 | C20 | H3 | 120.8° | 120.0° |
| N22 | C21 | C20 | H4 | 120.8° | 120.0° |
| N22 | C21 | C20 | C23 | 163.2° | 89.4° |
| N22 | C21 | C20 | C19 | 17.6° | 90.0° |
| N22 | C21 | H3 | H4 | 117.5° | 120.1° |
| C21 | N22 | H12 | H13 | 120.0° | 123.9° |
| C21 | C20 | C23 | C19 | 179.2° | 179.4° |
| C21 | C20 | C23 | C24 | 179.8° | 179.7° |
| C21 | C20 | C19 | C18 | 179.9° | 180.0° |
| C20 | C21 | H3 | H4 | 117.5° | 119.9° |
| C21 | C20 | C23 | H11 | 0.2° | 0.3° |
| C20 | C21 | N22 | H12 | 180.0° | 180.0° |
| C20 | C21 | N22 | H13 | 60.0° | 56.1° |
| C21 | C20 | C19 | H15 | 0.1° | 0.0° |
| C20 | C23 | C24 | H11 | 180.0° | 179.9° |
| C20 | C23 | C24 | C17 | 0.2° | 0.1° |
| C23 | C20 | C19 | C18 | 0.7° | 0.6° |
| C23 | C20 | C21 | H3 | 42.4° | 30.6° |
| C23 | C20 | C21 | H4 | 75.9° | 150.5° |
| C20 | C23 | C24 | H5 | 179.8° | 180.0° |
| C23 | C20 | C19 | H15 | 179.3° | 179.4° |
| C24 | C23 | C20 | C19 | 0.6° | 0.3° |
| C23 | C24 | C17 | H5 | 180.0° | 179.9° |
| C23 | C24 | C17 | C18 | 0.2° | 0.1° |
| C23 | C24 | C17 | C16 | 180.0° | 179.7° |
| C20 | C19 | C18 | H15 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.4° | 0.6° |
| C19 | C20 | C21 | H3 | 138.4° | 150.0° |
| C19 | C20 | C21 | H4 | 103.2° | 30.1° |
| C19 | C20 | C23 | H11 | 179.4° | 179.7° |
| C20 | C19 | C18 | H16 | 179.6° | 179.5° |
| N14 | C15 | C25 | C16 | 118.0° | 120.0° |
| N14 | C15 | C25 | H2 | 121.3° | 120.0° |
| N14 | C15 | C16 | H2 | 120.8° | 120.0° |
| N14 | C15 | C16 | C17 | 79.1° | 65.0° |
| N14 | C15 | C25 | C26 | 41.0° | 65.0° |
| N14 | C15 | C16 | H17 | 41.1° | 55.0° |
| N14 | C15 | C16 | H18 | 160.8° | 175.0° |
| N14 | C15 | C25 | H19 | 78.5° | 175.0° |
| N14 | C15 | C25 | H20 | 160.5° | 55.0° |
| C24 | C17 | C16 | C15 | 15.9° | 89.8° |
| C24 | C17 | C18 | C19 | 0.1° | 0.3° |
| C24 | C17 | C18 | C16 | 179.8° | 179.8° |
| C17 | C24 | C23 | H11 | 179.8° | 180.0° |
| C24 | C17 | C18 | H16 | 180.0° | 179.8° |
| C24 | C17 | C16 | H17 | 136.1° | 150.3° |
| C24 | C17 | C16 | H18 | 104.3° | 30.2° |
| C25 | C15 | C16 | H2 | 120.6° | 120.0° |
| C25 | C15 | C16 | C17 | 162.4° | 175.0° |
| C15 | C25 | C26 | H19 | 119.5° | 120.0° |
| C15 | C25 | C26 | H20 | 119.5° | 120.0° |
| C15 | C25 | C26 | S27 | 153.0° | 180.0° |
| C15 | C25 | C26 | H6 | 85.7° | 60.0° |
| C15 | C25 | C26 | H7 | 31.7° | 60.0° |
| C25 | C15 | C16 | H17 | 77.5° | 65.0° |
| C25 | C15 | C16 | H18 | 42.2° | 55.0° |
| C15 | C25 | H19 | H20 | 121.4° | 120.0° |
| C25 | C15 | N14 | H21 | 81.7° | 95.0° |
| C15 | C16 | C17 | C18 | 164.3° | 90.0° |
| C15 | C16 | C17 | H17 | 120.2° | 119.9° |
| C15 | C16 | C17 | H18 | 120.2° | 120.0° |
| C16 | C15 | C25 | C26 | 77.0° | 175.0° |
| C15 | C16 | H17 | H18 | 119.5° | 119.9° |
| C16 | C15 | C25 | H19 | 163.5° | 55.0° |
| C16 | C15 | C25 | H20 | 42.5° | 65.0° |
| C16 | C15 | N14 | H21 | 37.6° | 25.1° |
| C19 | C18 | C17 | H16 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 179.9° | 179.9° |
| C28 | S27 | C26 | C25 | 91.6° | 180.0° |
| C28 | S27 | C26 | O30 | 119.7° | 114.5° |
| C28 | S27 | C26 | O29 | 122.8° | 114.5° |
| C28 | S27 | O30 | O29 | 118.8° | 124.9° |
| C28 | S27 | C26 | H6 | 147.1° | 60.0° |
| C28 | S27 | C26 | H7 | 29.7° | 60.0° |
| S27 | C28 | H8 | H9 | 120.0° | 120.1° |
| S27 | C28 | H8 | H10 | 120.0° | 120.0° |
| S27 | C28 | H9 | H10 | 120.0° | 120.1° |
| C18 | C17 | C24 | H5 | 179.8° | 180.0° |
| C17 | C18 | C19 | H15 | 179.6° | 179.4° |
| C18 | C17 | C16 | H17 | 44.1° | 29.9° |
| C18 | C17 | C16 | H18 | 75.5° | 150.0° |
| C17 | C16 | C15 | H2 | 41.7° | 55.0° |
| C16 | C17 | C24 | H5 | 0.0° | 0.2° |
| C16 | C17 | C18 | H16 | 0.2° | 0.0° |
| C17 | C16 | H17 | H18 | 119.4° | 120.1° |
| C25 | C26 | S27 | H6 | 121.3° | 120.0° |
| C25 | C26 | S27 | H7 | 121.3° | 120.0° |
| C25 | C26 | S27 | O30 | 28.1° | 65.5° |
| C25 | C26 | S27 | O29 | 145.6° | 65.5° |
| C26 | C25 | C15 | H2 | 162.3° | 55.0° |
| C25 | C26 | H6 | H7 | 115.9° | 120.0° |
| C26 | C25 | H19 | H20 | 121.5° | 120.0° |
| C26 | S27 | O30 | O29 | 113.6° | 125.0° |
| S27 | C26 | H6 | H7 | 115.9° | 120.0° |
| C26 | S27 | C28 | H8 | 180.0° | 60.0° |
| C26 | S27 | C28 | H9 | 60.0° | 180.0° |
| C26 | S27 | C28 | H10 | 60.0° | 60.0° |
| S27 | C26 | C25 | H19 | 33.5° | 60.0° |
| S27 | C26 | C25 | H20 | 87.5° | 60.0° |
| O30 | S27 | C26 | H6 | 93.2° | 174.5° |
| O30 | S27 | C26 | H7 | 149.5° | 54.5° |
| O30 | S27 | C28 | H8 | 60.2° | 54.6° |
| O30 | S27 | C28 | H9 | 179.8° | 65.5° |
| O30 | S27 | C28 | H10 | 59.8° | 174.5° |
| O29 | S27 | C26 | H6 | 24.3° | 54.5° |
| O29 | S27 | C26 | H7 | 93.0° | 174.5° |
| O29 | S27 | C28 | H8 | 59.5° | 174.5° |
| O29 | S27 | C28 | H9 | 60.5° | 65.5° |
| O29 | S27 | C28 | H10 | 179.5° | 54.6° |
| H1 | C6 | C54 | H41 | 120.0° | 65.0° |
| H1 | C6 | C54 | H42 | 121.5° | 175.1° |
| H2 | C15 | C16 | H17 | 161.9° | 175.0° |
| H2 | C15 | C16 | H18 | 78.4° | 65.1° |
| H2 | C15 | C25 | H19 | 42.8° | 65.0° |
| H2 | C15 | C25 | H20 | 78.2° | 175.0° |
| H2 | C15 | N14 | H21 | 157.7° | 145.0° |
| H3 | C21 | N22 | H12 | 59.2° | 60.0° |
| H3 | C21 | N22 | H13 | 60.8° | 176.1° |
| H4 | C21 | N22 | H12 | 59.2° | 60.0° |
| H4 | C21 | N22 | H13 | 179.2° | 63.9° |
| H5 | C24 | C23 | H11 | 0.2° | 0.1° |
| H6 | C26 | C25 | H19 | 154.8° | NaN° |
| H6 | C26 | C25 | H20 | 33.8° | 60.0° |
| H7 | C26 | C25 | H19 | 87.8° | 60.0° |
| H7 | C26 | C25 | H20 | 151.2° | 180.0° |
| H8 | C28 | H9 | H10 | 120.0° | 119.9° |
| H15 | C19 | C18 | H16 | 0.4° | 0.5° |
| H22 | C12 | C32 | H23 | 73.3° | 175.1° |
| H22 | C12 | N11 | H28 | 168.5° | 145.0° |
| H23 | C32 | C14 | H24 | 58.1° | 177.6° |
| H23 | C32 | C14 | H25 | 178.2° | 57.6° |
| H23 | C32 | C14 | H26 | 61.9° | 62.4° |
| H23 | C32 | O33 | H27 | 59.2° | 60.0° |
| H24 | C14 | H25 | H26 | 119.9° | 119.9° |
| H29 | C9 | C40 | H30 | 73.2° | 62.2° |
| H29 | C9 | C40 | H31 | 167.0° | 177.8° |
| H29 | C9 | N8 | H39 | 139.0° | 148.2° |
| H30 | C40 | C41 | H32 | 169.2° | 173.7° |
| H31 | C40 | C41 | H32 | 71.0° | 66.3° |
| H32 | C41 | C43 | H33 | 60.1° | 56.3° |
| H32 | C41 | C43 | H34 | 59.9° | 63.8° |
| H32 | C41 | C43 | H35 | 179.9° | 176.3° |
| H32 | C41 | C42 | H36 | 60.0° | 180.0° |
| H32 | C41 | C42 | H37 | 179.9° | 60.0° |
| H32 | C41 | C42 | H38 | 60.0° | 60.0° |
| H33 | C43 | H34 | H35 | 119.9° | 120.0° |
| H36 | C42 | H37 | H38 | 120.0° | 120.0° |
| H43 | C56 | C57 | H44 | 0.8° | 0.1° |
| H44 | C57 | C58 | H45 | 0.3° | 0.0° |
| H45 | C58 | C59 | H46 | 0.6° | 0.1° |
| H46 | C59 | C60 | H47 | 0.9° | 0.0° |
