FWE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | sing | 1.36Å | 1.36Å | |
| C03 | C02 | doub | 1.39Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | C62 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.40Å | 1.40Å | Aromatic |
| C62 | C61 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C61 | sing | 1.40Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.47Å | 1.49Å | |
| C06 | C07 | doub | 1.35Å | 1.35Å | |
| C07 | C09 | sing | 1.46Å | 1.50Å | |
| C07 | C08 | sing | 1.51Å | 1.45Å | |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| N10 | C11 | sing | 1.39Å | 1.41Å | |
| N10 | C09 | sing | 1.35Å | 1.41Å | |
| C13 | C14 | sing | 1.40Å | 1.38Å | Aromatic |
| C11 | C59 | doub | 1.39Å | 1.39Å | Aromatic |
| C09 | O60 | doub | 1.22Å | 1.22Å | |
| C46 | O45 | sing | 1.43Å | 1.48Å | |
| C14 | C15 | sing | 1.48Å | 1.46Å | |
| C14 | C58 | doub | 1.40Å | 1.40Å | Aromatic |
| O57 | C15 | doub | 1.22Å | 1.23Å | |
| C59 | C58 | sing | 1.38Å | 1.38Å | Aromatic |
| O43 | C42 | sing | 1.36Å | 1.36Å | |
| O40 | C39 | doub | 1.22Å | 1.25Å | |
| O45 | C44 | sing | 1.36Å | 1.38Å | |
| C15 | N16 | sing | 1.35Å | 1.40Å | |
| C42 | C44 | doub | 1.39Å | 1.40Å | Aromatic |
| C42 | C38 | sing | 1.40Å | 1.40Å | Aromatic |
| O49 | C48 | sing | 1.36Å | 1.37Å | |
| C44 | C35 | sing | 1.39Å | 1.39Å | Aromatic |
| O51 | C50 | sing | 1.36Å | 1.40Å | |
| O51 | C52 | sing | 1.43Å | 1.36Å | |
| C39 | C38 | sing | 1.47Å | 1.54Å | |
| C39 | O41 | sing | 1.35Å | 1.24Å | |
| C38 | C37 | doub | 1.40Å | 1.39Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.40Å | 1.40Å | Aromatic |
| C35 | N34 | sing | 1.40Å | 1.40Å | |
| C35 | C36 | doub | 1.39Å | 1.40Å | Aromatic |
| C48 | C50 | doub | 1.39Å | 1.40Å | Aromatic |
| C48 | C32 | sing | 1.40Å | 1.42Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C50 | C29 | sing | 1.39Å | 1.38Å | Aromatic |
| N20 | C19 | sing | 1.39Å | 1.28Å | |
| N34 | C33 | sing | 1.35Å | 1.36Å | |
| C37 | C36 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | C32 | sing | 1.47Å | 1.48Å | |
| C33 | O47 | doub | 1.22Å | 1.23Å | |
| C32 | C31 | doub | 1.40Å | 1.38Å | Aromatic |
| C29 | N28 | sing | 1.40Å | 1.37Å | |
| C29 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| N28 | C27 | sing | 1.35Å | 1.35Å | |
| C27 | C26 | sing | 1.47Å | 1.44Å | |
| C27 | O53 | doub | 1.22Å | 1.23Å | |
| C19 | C18 | doub | 1.33Å | 1.54Å | |
| C19 | N22 | sing | 1.38Å | 1.41Å | |
| C26 | C54 | doub | 1.40Å | 1.38Å | Aromatic |
| N16 | C17 | sing | 1.46Å | 1.41Å | |
| C23 | N22 | sing | 1.40Å | 1.38Å | |
| C23 | C55 | doub | 1.39Å | 1.39Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.52Å | 1.53Å | |
| N22 | C21 | sing | 1.35Å | 1.40Å | |
| C54 | C55 | sing | 1.38Å | 1.37Å | Aromatic |
| C21 | C17 | sing | 1.51Å | 1.56Å | |
| C21 | O56 | doub | 1.21Å | 1.22Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C24 | H3 | sing | 1.08Å | 1.08Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C25 | H12 | sing | 1.08Å | 1.08Å | |
| C30 | H13 | sing | 1.08Å | 1.08Å | |
| C31 | H14 | sing | 1.08Å | 1.08Å | |
| C36 | H15 | sing | 1.08Å | 1.08Å | |
| C37 | H16 | sing | 1.08Å | 1.08Å | |
| C46 | H17 | sing | 1.09Å | 1.10Å | |
| C46 | H18 | sing | 1.09Å | 1.10Å | |
| C46 | H19 | sing | 1.09Å | 1.10Å | |
| C52 | H20 | sing | 1.09Å | 1.10Å | |
| C52 | H21 | sing | 1.09Å | 1.10Å | |
| C52 | H22 | sing | 1.09Å | 1.10Å | |
| C54 | H23 | sing | 1.08Å | 1.08Å | |
| C55 | H24 | sing | 1.08Å | 1.08Å | |
| C58 | H25 | sing | 1.08Å | 1.08Å | |
| C59 | H26 | sing | 1.08Å | 1.08Å | |
| C61 | H27 | sing | 1.08Å | 1.08Å | |
| C62 | H28 | sing | 1.08Å | 1.08Å | |
| N10 | H29 | sing | 0.97Å | 1.00Å | |
| N16 | H30 | sing | 0.97Å | 1.00Å | |
| N20 | H31 | sing | 0.97Å | 1.00Å | |
| N20 | H32 | sing | 0.97Å | 1.00Å | |
| N28 | H33 | sing | 0.97Å | 1.00Å | |
| N34 | H34 | sing | 0.97Å | 1.00Å | |
| O01 | H35 | sing | 0.97Å | 0.95Å | |
| O41 | H36 | sing | 0.97Å | 0.95Å | |
| O43 | H37 | sing | 0.97Å | 0.95Å | |
| O49 | H38 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 120.0° | 119.9° |
| O01 | C02 | C62 | 121.0° | 119.9° |
| C02 | O01 | H35 | 109.5° | 114.0° |
| C02 | C03 | C04 | 120.0° | 120.1° |
| C03 | C02 | C62 | 118.9° | 120.2° |
| C02 | C03 | H4 | 120.0° | 119.9° |
| C03 | C04 | C05 | 122.9° | 119.9° |
| C04 | C03 | H4 | 120.0° | 120.0° |
| C03 | C04 | H5 | 118.5° | 120.0° |
| C02 | C62 | C61 | 119.8° | 120.1° |
| C02 | C62 | H28 | 120.1° | 119.9° |
| C04 | C05 | C61 | 115.2° | 119.8° |
| C04 | C05 | C06 | 122.6° | 120.1° |
| C05 | C04 | H5 | 118.5° | 120.1° |
| C62 | C61 | C05 | 123.1° | 119.9° |
| C62 | C61 | H27 | 118.4° | 120.0° |
| C61 | C62 | H28 | 120.1° | 120.0° |
| C61 | C05 | C06 | 122.1° | 120.1° |
| C05 | C61 | H27 | 118.5° | 120.1° |
| C05 | C06 | C07 | 130.8° | 120.0° |
| C05 | C06 | H6 | 114.6° | 120.0° |
| C06 | C07 | C09 | 122.7° | 120.0° |
| C06 | C07 | C08 | 118.4° | 120.0° |
| C07 | C06 | H6 | 114.6° | 120.0° |
| C09 | C07 | C08 | 118.8° | 120.0° |
| C07 | C09 | N10 | 123.5° | 120.0° |
| C07 | C09 | O60 | 117.5° | 120.0° |
| C07 | C08 | H7 | 109.5° | 109.5° |
| C07 | C08 | H8 | 109.4° | 109.5° |
| C07 | C08 | H9 | 109.4° | 109.5° |
| C13 | C12 | C11 | 123.1° | 120.0° |
| C12 | C13 | C14 | 122.8° | 120.0° |
| C12 | C13 | H1 | 118.6° | 120.0° |
| C13 | C12 | H10 | 118.4° | 119.9° |
| C12 | C11 | N10 | 122.7° | 119.9° |
| C12 | C11 | C59 | 113.5° | 120.1° |
| C11 | C12 | H10 | 118.4° | 120.0° |
| C11 | N10 | C09 | 129.7° | 120.0° |
| N10 | C11 | C59 | 123.7° | 119.9° |
| C11 | N10 | H29 | 115.1° | 120.0° |
| N10 | C09 | O60 | 118.9° | 120.0° |
| C09 | N10 | H29 | 115.2° | 120.1° |
| C13 | C14 | C15 | 126.7° | 120.1° |
| C13 | C14 | C58 | 114.4° | 119.8° |
| C14 | C13 | H1 | 118.6° | 120.0° |
| C11 | C59 | C58 | 122.9° | 120.1° |
| C11 | C59 | H26 | 118.6° | 119.9° |
| C46 | O45 | C44 | 114.8° | 117.0° |
| O45 | C46 | H17 | 109.5° | 109.5° |
| O45 | C46 | H18 | 109.5° | 109.5° |
| O45 | C46 | H19 | 109.5° | 109.5° |
| C15 | C14 | C58 | 118.9° | 120.1° |
| C14 | C15 | O57 | 119.7° | 120.0° |
| C14 | C15 | N16 | 121.8° | 120.0° |
| C14 | C58 | C59 | 123.2° | 119.9° |
| C14 | C58 | H25 | 118.4° | 120.0° |
| O57 | C15 | N16 | 118.4° | 120.0° |
| C59 | C58 | H25 | 118.4° | 120.1° |
| C58 | C59 | H26 | 118.5° | 120.0° |
| O43 | C42 | C44 | 116.1° | 120.2° |
| O43 | C42 | C38 | 121.7° | 120.1° |
| C42 | O43 | H37 | 109.5° | 114.0° |
| O40 | C39 | C38 | 115.7° | 120.0° |
| O40 | C39 | O41 | 126.7° | 120.0° |
| O45 | C44 | C42 | 119.1° | 120.0° |
| O45 | C44 | C35 | 119.0° | 120.0° |
| C15 | N16 | C17 | 125.7° | 120.0° |
| C15 | N16 | H30 | 117.1° | 120.0° |
| C44 | C42 | C38 | 122.2° | 119.7° |
| C42 | C44 | C35 | 122.0° | 120.0° |
| C42 | C38 | C39 | 123.9° | 120.1° |
| C42 | C38 | C37 | 115.6° | 119.8° |
| O49 | C48 | C50 | 112.7° | 120.1° |
| O49 | C48 | C32 | 124.4° | 120.2° |
| C48 | O49 | H38 | 109.5° | 114.0° |
| C44 | C35 | N34 | 120.7° | 119.9° |
| C44 | C35 | C36 | 115.9° | 120.2° |
| C50 | O51 | C52 | 113.4° | 117.0° |
| O51 | C50 | C48 | 121.8° | 120.0° |
| O51 | C50 | C29 | 116.8° | 120.0° |
| O51 | C52 | H20 | 109.5° | 109.5° |
| O51 | C52 | H21 | 109.5° | 109.6° |
| O51 | C52 | H22 | 109.5° | 109.5° |
| C38 | C39 | O41 | 117.6° | 120.0° |
| C39 | C38 | C37 | 120.5° | 120.1° |
| C39 | O41 | H36 | 109.5° | 117.1° |
| C38 | C37 | C36 | 122.3° | 120.1° |
| C38 | C37 | H16 | 118.8° | 120.0° |
| C24 | C25 | C26 | 122.0° | 119.9° |
| C25 | C24 | C23 | 122.4° | 120.1° |
| C25 | C24 | H3 | 118.8° | 119.9° |
| C24 | C25 | H12 | 119.0° | 120.1° |
| C25 | C26 | C27 | 123.0° | 120.1° |
| C25 | C26 | C54 | 114.5° | 119.8° |
| C26 | C25 | H12 | 119.0° | 120.0° |
| N34 | C35 | C36 | 123.4° | 119.9° |
| C35 | N34 | C33 | 131.1° | 120.0° |
| C35 | N34 | H34 | 114.5° | 120.0° |
| C35 | C36 | C37 | 121.9° | 120.3° |
| C35 | C36 | H15 | 119.0° | 119.9° |
| C50 | C48 | C32 | 122.9° | 119.7° |
| C48 | C50 | C29 | 121.4° | 120.0° |
| C48 | C32 | C33 | 121.0° | 120.1° |
| C48 | C32 | C31 | 114.1° | 119.9° |
| C24 | C23 | N22 | 122.8° | 119.9° |
| C24 | C23 | C55 | 114.9° | 120.1° |
| C23 | C24 | H3 | 118.8° | 119.9° |
| C50 | C29 | N28 | 122.8° | 119.9° |
| C50 | C29 | C30 | 115.3° | 120.2° |
| N20 | C19 | C18 | 127.2° | 123.9° |
| N20 | C19 | N22 | 122.9° | 123.9° |
| C19 | N20 | H31 | 109.5° | 120.0° |
| C19 | N20 | H32 | 109.4° | 119.9° |
| N34 | C33 | C32 | 121.5° | 120.0° |
| N34 | C33 | O47 | 121.1° | 120.0° |
| C33 | N34 | H34 | 114.4° | 120.0° |
| C37 | C36 | H15 | 119.1° | 119.9° |
| C36 | C37 | H16 | 118.8° | 120.0° |
| C32 | C33 | O47 | 117.3° | 120.0° |
| C33 | C32 | C31 | 124.9° | 120.1° |
| C32 | C31 | C30 | 122.9° | 120.0° |
| C32 | C31 | H14 | 118.5° | 120.0° |
| N28 | C29 | C30 | 122.0° | 119.9° |
| C29 | N28 | C27 | 129.4° | 120.0° |
| C29 | N28 | H33 | 115.3° | 120.0° |
| C29 | C30 | C31 | 123.4° | 120.2° |
| C29 | C30 | H13 | 118.3° | 119.9° |
| N28 | C27 | C26 | 121.7° | 120.0° |
| N28 | C27 | O53 | 120.7° | 120.0° |
| C27 | N28 | H33 | 115.3° | 120.0° |
| C26 | C27 | O53 | 117.5° | 120.1° |
| C27 | C26 | C54 | 122.5° | 120.1° |
| C18 | C19 | N22 | 109.8° | 112.2° |
| C19 | C18 | C17 | 108.1° | 106.5° |
| C19 | C18 | H11 | 126.0° | 126.8° |
| C19 | N22 | C23 | 127.0° | 124.2° |
| C19 | N22 | C21 | 107.6° | 111.7° |
| C26 | C54 | C55 | 124.0° | 120.0° |
| C26 | C54 | H23 | 118.0° | 120.0° |
| N16 | C17 | C18 | 115.3° | 110.7° |
| N16 | C17 | C21 | 111.0° | 110.6° |
| N16 | C17 | H2 | 111.3° | 110.5° |
| C17 | N16 | H30 | 117.2° | 120.0° |
| N22 | C23 | C55 | 122.1° | 119.9° |
| C23 | N22 | C21 | 125.4° | 124.2° |
| C23 | C55 | C54 | 122.1° | 120.0° |
| C23 | C55 | H24 | 118.9° | 120.0° |
| C31 | C30 | H13 | 118.3° | 119.9° |
| C30 | C31 | H14 | 118.5° | 120.0° |
| C18 | C17 | C21 | 99.8° | 103.8° |
| C18 | C17 | H2 | 109.6° | 110.6° |
| C17 | C18 | H11 | 126.0° | 126.7° |
| N22 | C21 | C17 | 114.6° | 105.9° |
| N22 | C21 | O56 | 121.1° | 127.1° |
| C55 | C54 | H23 | 118.0° | 120.0° |
| C54 | C55 | H24 | 119.0° | 120.0° |
| C17 | C21 | O56 | 124.1° | 127.1° |
| C21 | C17 | H2 | 109.2° | 110.6° |
| H7 | C08 | H8 | 109.5° | 109.5° |
| H7 | C08 | H9 | 109.4° | 109.5° |
| H8 | C08 | H9 | 109.5° | 109.4° |
| H17 | C46 | H18 | 109.5° | 109.5° |
| H17 | C46 | H19 | 109.4° | 109.4° |
| H18 | C46 | H19 | 109.5° | 109.5° |
| H20 | C52 | H21 | 109.5° | 109.4° |
| H20 | C52 | H22 | 109.4° | 109.4° |
| H21 | C52 | H22 | 109.5° | 109.5° |
| H31 | N20 | H32 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | C62 | 180.0° | 179.7° |
| O01 | C02 | C03 | C04 | 179.8° | 179.7° |
| O01 | C02 | C62 | C61 | 179.8° | 179.7° |
| O01 | C02 | C03 | H4 | 0.2° | 0.3° |
| O01 | C02 | C62 | H28 | 0.2° | 0.3° |
| C02 | C03 | C04 | H4 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 0.3° | 0.1° |
| C03 | C02 | C62 | C61 | 0.2° | 0.0° |
| C02 | C03 | C04 | H5 | 179.7° | 179.9° |
| C03 | C02 | C62 | H28 | 179.8° | 179.9° |
| C03 | C02 | O01 | H35 | 180.0° | 89.7° |
| C04 | C03 | C02 | C62 | 0.2° | 0.1° |
| C03 | C04 | C05 | H5 | 180.0° | 180.0° |
| C03 | C04 | C05 | C61 | 0.7° | 0.0° |
| C03 | C04 | C05 | C06 | 179.4° | 179.9° |
| C02 | C62 | C61 | H28 | 180.0° | 180.0° |
| C02 | C62 | C61 | C05 | 0.2° | 0.0° |
| C62 | C02 | C03 | H4 | 179.8° | 180.0° |
| C02 | C62 | C61 | H27 | 179.8° | 179.9° |
| C62 | C02 | O01 | H35 | 0.0° | 90.0° |
| C04 | C05 | C61 | C62 | 0.6° | 0.0° |
| C04 | C05 | C61 | C06 | 178.7° | 180.0° |
| C04 | C05 | C06 | C07 | 146.1° | 142.9° |
| C05 | C04 | C03 | H4 | 179.7° | 180.0° |
| C04 | C05 | C06 | H6 | 33.9° | 37.2° |
| C04 | C05 | C61 | H27 | 179.4° | 179.9° |
| C62 | C61 | C05 | H27 | 180.0° | 179.9° |
| C62 | C61 | C05 | C06 | 179.4° | 180.0° |
| C61 | C05 | C06 | C07 | 32.6° | 37.0° |
| C61 | C05 | C04 | H5 | 179.3° | 180.0° |
| C61 | C05 | C06 | H6 | 147.5° | 142.9° |
| C05 | C61 | C62 | H28 | 179.8° | 180.0° |
| C05 | C06 | C07 | H6 | 180.0° | 179.9° |
| C05 | C06 | C07 | C09 | 177.4° | 172.0° |
| C05 | C06 | C07 | C08 | 1.1° | 8.1° |
| C06 | C05 | C04 | H5 | 0.6° | 0.1° |
| C06 | C05 | C61 | H27 | 0.6° | 0.1° |
| C06 | C07 | C09 | C08 | 178.6° | 179.9° |
| C06 | C07 | C09 | N10 | 0.2° | 180.0° |
| C06 | C07 | C09 | O60 | 176.5° | 0.1° |
| C06 | C07 | C08 | H7 | 180.0° | 90.4° |
| C06 | C07 | C08 | H8 | 60.0° | 149.6° |
| C06 | C07 | C08 | H9 | 60.0° | 29.6° |
| C07 | C09 | N10 | C11 | 176.3° | 175.0° |
| C07 | C09 | N10 | O60 | 176.6° | 179.9° |
| C09 | C07 | C06 | H6 | 2.6° | 7.9° |
| C09 | C07 | C08 | H7 | 1.3° | 89.7° |
| C09 | C07 | C08 | H8 | 121.4° | 30.4° |
| C09 | C07 | C08 | H9 | 118.6° | 150.3° |
| C07 | C09 | N10 | H29 | 3.7° | 5.1° |
| C08 | C07 | C09 | N10 | 178.8° | 0.0° |
| C08 | C07 | C09 | O60 | 2.1° | 180.0° |
| C08 | C07 | C06 | H6 | 178.9° | 172.0° |
| C07 | C08 | H7 | H8 | 120.0° | 120.0° |
| C07 | C08 | H7 | H9 | 120.0° | 120.0° |
| C07 | C08 | H8 | H9 | 120.0° | 120.0° |
| C13 | C12 | C11 | H10 | 180.0° | 179.9° |
| C13 | C12 | C11 | N10 | 178.8° | 179.7° |
| C12 | C13 | C14 | H1 | 180.0° | 179.7° |
| C13 | C12 | C11 | C59 | 2.2° | 0.4° |
| C12 | C13 | C14 | C15 | 179.9° | 179.7° |
| C12 | C13 | C14 | C58 | 0.6° | 0.3° |
| C12 | C11 | N10 | C59 | 176.3° | 179.3° |
| C12 | C11 | N10 | C09 | 171.2° | 36.1° |
| C11 | C12 | C13 | C14 | 1.6° | 0.1° |
| C12 | C11 | C59 | C58 | 2.0° | 0.7° |
| C11 | C12 | C13 | H1 | 178.4° | 179.8° |
| C12 | C11 | C59 | H26 | 178.0° | 180.0° |
| C12 | C11 | N10 | H29 | 8.8° | 143.8° |
| C11 | N10 | C09 | H29 | 180.0° | 179.9° |
| C11 | N10 | C09 | O60 | 0.3° | 4.9° |
| N10 | C11 | C59 | C58 | 178.5° | 180.0° |
| N10 | C11 | C12 | H10 | 1.3° | 0.2° |
| N10 | C11 | C59 | H26 | 1.5° | 0.7° |
| C09 | N10 | C11 | C59 | 5.0° | 144.6° |
| C13 | C14 | C15 | C58 | 179.5° | 180.0° |
| C13 | C14 | C15 | O57 | 37.6° | 0.0° |
| C13 | C14 | C58 | C59 | 0.4° | 0.0° |
| C13 | C14 | C15 | N16 | 142.0° | 180.0° |
| C14 | C13 | C12 | H10 | 178.4° | 180.0° |
| C13 | C14 | C58 | H25 | 179.5° | 180.0° |
| C11 | C59 | C58 | C14 | 1.3° | 0.5° |
| C11 | C59 | C58 | H26 | 180.0° | 179.3° |
| C59 | C11 | C12 | H10 | 177.9° | 179.5° |
| C11 | C59 | C58 | H25 | 178.7° | 179.4° |
| C59 | C11 | N10 | H29 | 175.0° | 35.5° |
| O60 | C09 | N10 | H29 | 179.7° | 175.0° |
| C46 | O45 | C44 | C42 | 108.5° | 90.0° |
| C46 | O45 | C44 | C35 | 71.4° | 90.5° |
| O45 | C46 | H17 | H18 | 120.0° | 120.0° |
| O45 | C46 | H17 | H19 | 120.0° | 120.0° |
| O45 | C46 | H18 | H19 | 120.0° | 120.0° |
| C14 | C15 | O57 | N16 | 179.6° | 180.0° |
| C15 | C14 | C58 | C59 | 180.0° | 180.0° |
| C14 | C15 | N16 | C17 | 179.5° | 180.0° |
| C15 | C14 | C13 | H1 | 0.1° | 0.0° |
| C15 | C14 | C58 | H25 | 0.0° | 0.1° |
| C14 | C15 | N16 | H30 | 0.5° | 0.0° |
| C58 | C14 | C15 | O57 | 141.9° | 180.0° |
| C14 | C58 | C59 | H25 | 180.0° | 179.9° |
| C58 | C14 | C15 | N16 | 38.5° | 0.0° |
| C58 | C14 | C13 | H1 | 179.4° | 180.0° |
| C14 | C58 | C59 | H26 | 178.8° | 179.7° |
| O57 | C15 | N16 | C17 | 0.9° | 0.0° |
| O57 | C15 | N16 | H30 | 179.1° | 180.0° |
| O43 | C42 | C44 | O45 | 0.4° | 0.5° |
| O43 | C42 | C44 | C38 | 180.0° | 179.5° |
| O43 | C42 | C44 | C35 | 179.7° | 180.0° |
| O43 | C42 | C38 | C39 | 0.2° | 0.2° |
| O43 | C42 | C38 | C37 | 180.0° | 179.8° |
| O40 | C39 | C38 | C42 | 4.7° | 0.0° |
| O40 | C39 | C38 | O41 | 179.7° | 180.0° |
| O40 | C39 | C38 | C37 | 175.5° | 180.0° |
| O40 | C39 | O41 | H36 | 0.0° | 0.1° |
| O45 | C44 | C42 | C35 | 179.9° | 179.5° |
| O45 | C44 | C42 | C38 | 179.6° | 180.0° |
| O45 | C44 | C35 | N34 | 0.1° | 0.2° |
| O45 | C44 | C35 | C36 | 179.2° | 180.0° |
| C44 | O45 | C46 | H17 | 180.0° | 59.9° |
| C44 | O45 | C46 | H18 | 60.0° | 180.0° |
| C44 | O45 | C46 | H19 | 60.0° | 60.0° |
| C15 | N16 | C17 | H30 | 180.0° | 180.0° |
| C15 | N16 | C17 | C18 | 50.9° | 88.5° |
| C15 | N16 | C17 | C21 | 61.7° | 157.1° |
| C15 | N16 | C17 | H2 | 176.5° | 34.3° |
| C44 | C42 | C38 | C39 | 179.8° | 179.7° |
| C44 | C42 | C38 | C37 | 0.0° | 0.3° |
| C42 | C44 | C35 | N34 | 179.8° | 179.7° |
| C42 | C44 | C35 | C36 | 0.7° | 0.5° |
| C44 | C42 | O43 | H37 | 178.1° | 90.0° |
| C38 | C42 | C44 | C35 | 0.3° | 0.5° |
| C42 | C38 | C39 | C37 | 179.8° | 180.0° |
| C42 | C38 | C39 | O41 | 175.0° | 180.0° |
| C42 | C38 | C37 | C36 | 0.1° | 0.0° |
| C42 | C38 | C37 | H16 | 179.9° | 180.0° |
| C38 | C42 | O43 | H37 | 1.8° | 90.5° |
| O49 | C48 | C50 | O51 | 0.1° | 0.5° |
| O49 | C48 | C50 | C32 | 179.5° | 179.5° |
| O49 | C48 | C50 | C29 | 179.8° | 179.9° |
| O49 | C48 | C32 | C33 | 0.9° | 0.2° |
| O49 | C48 | C32 | C31 | 179.8° | 179.8° |
| C44 | C35 | N34 | C36 | 179.0° | 179.7° |
| C44 | C35 | N34 | C33 | 177.4° | 151.7° |
| C44 | C35 | C36 | C37 | 0.8° | 0.3° |
| C44 | C35 | C36 | H15 | 179.2° | 179.7° |
| C44 | C35 | N34 | H34 | 2.6° | 28.3° |
| O51 | C50 | C48 | C29 | 179.7° | 179.4° |
| O51 | C50 | C48 | C32 | 179.6° | 180.0° |
| O51 | C50 | C29 | N28 | 1.2° | 0.3° |
| O51 | C50 | C29 | C30 | 179.4° | 180.0° |
| C50 | O51 | C52 | H20 | 180.0° | 179.9° |
| C50 | O51 | C52 | H21 | 60.0° | 60.0° |
| C50 | O51 | C52 | H22 | 60.0° | 60.1° |
| C52 | O51 | C50 | C48 | 80.2° | 90.0° |
| C52 | O51 | C50 | C29 | 100.1° | 90.6° |
| O51 | C52 | H20 | H21 | 120.0° | 120.1° |
| O51 | C52 | H20 | H22 | 120.0° | 120.0° |
| O51 | C52 | H21 | H22 | 120.0° | 120.1° |
| C39 | C38 | C37 | C36 | 179.9° | 180.0° |
| C39 | C38 | C37 | H16 | 0.1° | 0.0° |
| C38 | C39 | O41 | H36 | 179.6° | 180.0° |
| O41 | C39 | C38 | C37 | 4.8° | 0.0° |
| C38 | C37 | C36 | C35 | 0.6° | 0.0° |
| C38 | C37 | C36 | H16 | 180.0° | 180.0° |
| C38 | C37 | C36 | H15 | 179.5° | 180.0° |
| C24 | C25 | C26 | H12 | 180.0° | 179.9° |
| C25 | C24 | C23 | H3 | 180.0° | 179.8° |
| C24 | C25 | C26 | C27 | 179.2° | 179.8° |
| C24 | C25 | C26 | C54 | 0.6° | 0.6° |
| C25 | C24 | C23 | N22 | 177.4° | 179.8° |
| C25 | C24 | C23 | C55 | 1.9° | 0.2° |
| C26 | C25 | C24 | C23 | 1.2° | 0.1° |
| C25 | C26 | C27 | N28 | 139.5° | 0.8° |
| C25 | C26 | C27 | C54 | 179.8° | 179.1° |
| C25 | C26 | C27 | O53 | 44.7° | 179.2° |
| C25 | C26 | C54 | C55 | 1.1° | 0.9° |
| C26 | C25 | C24 | H3 | 178.8° | 179.7° |
| C25 | C26 | C54 | H23 | 179.0° | 180.0° |
| C35 | N34 | C33 | H34 | 180.0° | 180.0° |
| N34 | C35 | C36 | C37 | 179.9° | 180.0° |
| C35 | N34 | C33 | C32 | 179.6° | 174.9° |
| C35 | N34 | C33 | O47 | 0.4° | 5.0° |
| N34 | C35 | C36 | H15 | 0.2° | 0.0° |
| C36 | C35 | N34 | C33 | 1.6° | 28.0° |
| C35 | C36 | C37 | H15 | 180.0° | 180.0° |
| C35 | C36 | C37 | H16 | 179.5° | 180.0° |
| C36 | C35 | N34 | H34 | 178.4° | 152.0° |
| C50 | C48 | C32 | C33 | 179.6° | 179.7° |
| C50 | C48 | C32 | C31 | 0.3° | 0.2° |
| C48 | C50 | C29 | N28 | 179.1° | 179.7° |
| C48 | C50 | C29 | C30 | 0.9° | 0.6° |
| C50 | C48 | O49 | H38 | 180.0° | 90.0° |
| C32 | C48 | C50 | C29 | 0.7° | 0.5° |
| C48 | C32 | C33 | N34 | 5.8° | 180.0° |
| C48 | C32 | C33 | C31 | 179.2° | 179.9° |
| C48 | C32 | C33 | O47 | 174.2° | 0.1° |
| C48 | C32 | C31 | C30 | 0.2° | 0.0° |
| C48 | C32 | C31 | H14 | 179.8° | 180.0° |
| C32 | C48 | O49 | H38 | 0.5° | 90.4° |
| C24 | C23 | N22 | C19 | 124.7° | 122.0° |
| C24 | C23 | N22 | C55 | 175.2° | 180.0° |
| C24 | C23 | N22 | C21 | 59.1° | 57.9° |
| C24 | C23 | C55 | C54 | 2.3° | 0.1° |
| C23 | C24 | C25 | H12 | 178.9° | 180.0° |
| C24 | C23 | C55 | H24 | 177.7° | 180.0° |
| C50 | C29 | N28 | C30 | 178.2° | 179.7° |
| C50 | C29 | N28 | C27 | 166.8° | 151.7° |
| C50 | C29 | C30 | C31 | 0.8° | 0.3° |
| C50 | C29 | C30 | H13 | 179.2° | 179.7° |
| C50 | C29 | N28 | H33 | 13.2° | 28.3° |
| N20 | C19 | C18 | N22 | 178.2° | 180.0° |
| N20 | C19 | N22 | C23 | 1.9° | 0.1° |
| N20 | C19 | C18 | C17 | 179.4° | 180.0° |
| N20 | C19 | N22 | C21 | 178.6° | 180.0° |
| N20 | C19 | C18 | H11 | 0.6° | 0.0° |
| C19 | N20 | H31 | H32 | 120.0° | 180.0° |
| N34 | C33 | C32 | O47 | 180.0° | 179.9° |
| N34 | C33 | C32 | C31 | 175.0° | 0.1° |
| C33 | C32 | C31 | C30 | 179.5° | 180.0° |
| C33 | C32 | C31 | H14 | 0.5° | 0.0° |
| C32 | C33 | N34 | H34 | 0.3° | 5.1° |
| O47 | C33 | C32 | C31 | 5.0° | 180.0° |
| O47 | C33 | N34 | H34 | 179.7° | 175.0° |
| C32 | C31 | C30 | C29 | 0.5° | 0.0° |
| C32 | C31 | C30 | H14 | 180.0° | 180.0° |
| C32 | C31 | C30 | H13 | 179.5° | 180.0° |
| C29 | N28 | C27 | H33 | 180.0° | 180.0° |
| C29 | N28 | C27 | C26 | 178.4° | 174.9° |
| C29 | N28 | C27 | O53 | 2.7° | 5.0° |
| N28 | C29 | C30 | C31 | 179.1° | 180.0° |
| N28 | C29 | C30 | H13 | 0.9° | 0.0° |
| C30 | C29 | N28 | C27 | 15.1° | 28.0° |
| C29 | C30 | C31 | H13 | 180.0° | 180.0° |
| C29 | C30 | C31 | H14 | 179.5° | 180.0° |
| C30 | C29 | N28 | H33 | 164.9° | 152.0° |
| N28 | C27 | C26 | O53 | 175.8° | 180.0° |
| N28 | C27 | C26 | C54 | 40.7° | 180.0° |
| C27 | C26 | C54 | C55 | 178.8° | 180.0° |
| C27 | C26 | C25 | H12 | 0.8° | 0.3° |
| C27 | C26 | C54 | H23 | 1.2° | 0.9° |
| C26 | C27 | N28 | H33 | 1.6° | 5.1° |
| O53 | C27 | C26 | C54 | 135.2° | 0.1° |
| O53 | C27 | N28 | H33 | 177.3° | 174.9° |
| C19 | C18 | C17 | N16 | 119.8° | 118.7° |
| C18 | C19 | N22 | C23 | 179.8° | 179.9° |
| C19 | C18 | C17 | H11 | 180.0° | 180.0° |
| C18 | C19 | N22 | C21 | 3.1° | 0.0° |
| C19 | C18 | C17 | C21 | 0.8° | 0.0° |
| C19 | C18 | C17 | H2 | 113.7° | 118.6° |
| C18 | C19 | N20 | H31 | 180.0° | 4.8° |
| C18 | C19 | N20 | H32 | 60.0° | 175.2° |
| C19 | N22 | C23 | C21 | 176.2° | 179.9° |
| C19 | N22 | C23 | C55 | 60.1° | 57.9° |
| N22 | C19 | C18 | C17 | 2.4° | 0.0° |
| C19 | N22 | C21 | C17 | 2.7° | 0.0° |
| C19 | N22 | C21 | O56 | 178.2° | 180.0° |
| N22 | C19 | C18 | H11 | 177.6° | 180.0° |
| N22 | C19 | N20 | H31 | 2.0° | 175.2° |
| N22 | C19 | N20 | H32 | 122.0° | 4.8° |
| C26 | C54 | C55 | C23 | 2.0° | 0.6° |
| C26 | C54 | C55 | H23 | 180.0° | 179.1° |
| C54 | C26 | C25 | H12 | 179.4° | 179.5° |
| C26 | C54 | C55 | H24 | 178.0° | 179.5° |
| N16 | C17 | C18 | C21 | 119.0° | 118.6° |
| N16 | C17 | C18 | H2 | 126.5° | 122.8° |
| N16 | C17 | C21 | N22 | 121.0° | 118.8° |
| N16 | C17 | C21 | H2 | 123.0° | 122.7° |
| N16 | C17 | C21 | O56 | 54.4° | 61.3° |
| N16 | C17 | C18 | H11 | 60.2° | 61.4° |
| N22 | C23 | C55 | C54 | 177.8° | 180.0° |
| C23 | N22 | C21 | C17 | 179.5° | 180.0° |
| C23 | N22 | C21 | O56 | 5.0° | 0.1° |
| N22 | C23 | C24 | H3 | 2.6° | 0.0° |
| N22 | C23 | C55 | H24 | 2.2° | 0.1° |
| C55 | C23 | N22 | C21 | 116.0° | 122.2° |
| C23 | C55 | C54 | H24 | 180.0° | 179.9° |
| C55 | C23 | C24 | H3 | 178.1° | 180.0° |
| C23 | C55 | C54 | H23 | 178.0° | 179.7° |
| C18 | C17 | C21 | N22 | 1.1° | 0.0° |
| C18 | C17 | C21 | H2 | 114.8° | 118.6° |
| C18 | C17 | C21 | O56 | 176.5° | 180.0° |
| C18 | C17 | N16 | H30 | 129.1° | 91.5° |
| N22 | C21 | C17 | O56 | 175.4° | 179.9° |
| N22 | C21 | C17 | H2 | 116.0° | 118.5° |
| C21 | C17 | C18 | H11 | 179.2° | 180.0° |
| C21 | C17 | N16 | H30 | 118.3° | 22.9° |
| O56 | C21 | C17 | H2 | 68.7° | 61.4° |
| H1 | C13 | C12 | H10 | 1.6° | 0.3° |
| H2 | C17 | C18 | H11 | 66.3° | 61.4° |
| H2 | C17 | N16 | H30 | 3.5° | 145.7° |
| H3 | C24 | C25 | H12 | 1.2° | 0.2° |
| H4 | C03 | C04 | H5 | 0.3° | 0.0° |
| H7 | C08 | H8 | H9 | 120.0° | 120.0° |
| H13 | C30 | C31 | H14 | 0.5° | 0.0° |
| H15 | C36 | C37 | H16 | 0.5° | 0.0° |
| H17 | C46 | H18 | H19 | 119.9° | 120.0° |
| H20 | C52 | H21 | H22 | 120.0° | 119.9° |
| H23 | C54 | C55 | H24 | 2.0° | 0.4° |
| H25 | C58 | C59 | H26 | 1.3° | 0.2° |
| H27 | C61 | C62 | H28 | 0.2° | 0.1° |
