EVV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O68 | C67 | doub | 1.21Å | 1.21Å | |
| O70 | C67 | sing | 1.34Å | 1.31Å | |
| C67 | C64 | sing | 1.51Å | 1.51Å | |
| C64 | C62 | sing | 1.53Å | 1.53Å | |
| C77 | C80 | sing | 1.53Å | 1.48Å | |
| C77 | O76 | sing | 1.43Å | 1.44Å | |
| C62 | N60 | sing | 1.46Å | 1.46Å | |
| C62 | C71 | sing | 1.51Å | 1.53Å | |
| O72 | C71 | doub | 1.21Å | 1.30Å | |
| O76 | C75 | sing | 1.36Å | 1.37Å | |
| N60 | C58 | sing | 1.35Å | 1.34Å | |
| C71 | O74 | sing | 1.34Å | 1.22Å | |
| C58 | O59 | doub | 1.22Å | 1.23Å | |
| C58 | C57 | sing | 1.47Å | 1.50Å | |
| C75 | C57 | doub | 1.40Å | 1.41Å | Aromatic |
| C75 | C84 | sing | 1.38Å | 1.44Å | Aromatic |
| C57 | C55 | sing | 1.40Å | 1.40Å | Aromatic |
| C84 | C52 | doub | 1.40Å | 1.39Å | Aromatic |
| C55 | C53 | doub | 1.36Å | 1.38Å | Aromatic |
| C52 | C53 | sing | 1.40Å | 1.39Å | Aromatic |
| C52 | C50 | sing | 1.48Å | 1.47Å | |
| C48 | C50 | doub | 1.37Å | 1.36Å | Aromatic |
| C48 | C46 | sing | 1.40Å | 1.42Å | Aromatic |
| C50 | O51 | sing | 1.34Å | 1.38Å | Aromatic |
| C46 | C45 | doub | 1.38Å | 1.35Å | Aromatic |
| O51 | C45 | sing | 1.35Å | 1.38Å | Aromatic |
| C45 | C43 | sing | 1.47Å | 1.47Å | |
| C01 | C05 | sing | 1.53Å | 1.51Å | |
| C05 | C08 | sing | 1.53Å | 1.51Å | |
| C43 | N41 | sing | 1.35Å | 1.34Å | |
| C43 | O44 | doub | 1.22Å | 1.23Å | |
| C08 | C11 | sing | 1.53Å | 1.52Å | |
| N41 | C38 | sing | 1.46Å | 1.45Å | |
| C11 | C14 | sing | 1.53Å | 1.52Å | |
| O35 | C34 | doub | 1.21Å | 1.23Å | |
| C38 | N36 | sing | 1.47Å | 1.44Å | |
| C14 | C17 | sing | 1.53Å | 1.54Å | |
| C34 | N36 | sing | 1.35Å | 1.34Å | |
| C34 | C17 | sing | 1.51Å | 1.53Å | |
| C17 | C19 | sing | 1.53Å | 1.54Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| C19 | N28 | sing | 1.47Å | 1.48Å | |
| C21 | C24 | sing | 1.53Å | 1.51Å | |
| C31 | N28 | sing | 1.35Å | 1.32Å | |
| C31 | O33 | doub | 1.21Å | 1.21Å | |
| N28 | O29 | sing | 1.42Å | 1.36Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| O29 | H19 | sing | 0.97Å | 0.95Å | |
| C31 | H20 | sing | 1.08Å | 1.08Å | |
| N36 | H21 | sing | 0.97Å | 1.00Å | |
| C38 | H22 | sing | 1.09Å | 1.10Å | |
| C38 | H23 | sing | 1.09Å | 1.10Å | |
| N41 | H24 | sing | 0.97Å | 1.00Å | |
| C46 | H25 | sing | 1.08Å | 1.08Å | |
| C48 | H26 | sing | 1.08Å | 1.08Å | |
| C53 | H27 | sing | 1.08Å | 1.08Å | |
| C55 | H28 | sing | 1.08Å | 1.08Å | |
| N60 | H29 | sing | 0.97Å | 1.00Å | |
| C62 | H30 | sing | 1.09Å | 1.10Å | |
| C64 | H31 | sing | 1.09Å | 1.10Å | |
| C64 | H32 | sing | 1.09Å | 1.10Å | |
| O70 | H33 | sing | 0.97Å | 0.95Å | |
| O74 | H34 | sing | 0.97Å | 0.95Å | |
| C77 | H35 | sing | 1.09Å | 1.10Å | |
| C77 | H36 | sing | 1.09Å | 1.10Å | |
| C80 | H37 | sing | 1.09Å | 1.10Å | |
| C80 | H38 | sing | 1.09Å | 1.10Å | |
| C80 | H39 | sing | 1.09Å | 1.10Å | |
| C84 | H40 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O68 | C67 | O70 | 123.4° | 120.0° |
| O68 | C67 | C64 | 122.9° | 120.0° |
| O70 | C67 | C64 | 113.7° | 120.0° |
| C67 | O70 | H33 | 109.5° | 117.0° |
| C67 | C64 | C62 | 114.9° | 109.5° |
| C67 | C64 | H31 | 108.1° | 109.5° |
| C67 | C64 | H32 | 108.1° | 109.5° |
| C64 | C62 | N60 | 112.7° | 109.5° |
| C64 | C62 | C71 | 109.0° | 109.4° |
| C64 | C62 | H30 | 108.8° | 109.5° |
| C62 | C64 | H31 | 108.1° | 109.5° |
| C62 | C64 | H32 | 108.1° | 109.5° |
| C80 | C77 | O76 | 108.8° | 109.5° |
| C80 | C77 | H35 | 109.6° | 109.4° |
| C80 | C77 | H36 | 109.7° | 109.5° |
| C77 | C80 | H37 | 109.5° | 109.5° |
| C77 | C80 | H38 | 109.5° | 109.5° |
| C77 | C80 | H39 | 109.5° | 109.5° |
| C77 | O76 | C75 | 120.6° | 117.0° |
| O76 | C77 | H35 | 109.7° | 109.5° |
| O76 | C77 | H36 | 109.6° | 109.5° |
| N60 | C62 | C71 | 107.6° | 109.5° |
| C62 | N60 | C58 | 121.9° | 120.0° |
| C62 | N60 | H29 | 119.0° | 120.0° |
| N60 | C62 | H30 | 109.9° | 109.5° |
| C62 | C71 | O72 | 113.8° | 120.0° |
| C62 | C71 | O74 | 122.2° | 120.0° |
| C71 | C62 | H30 | 108.9° | 109.5° |
| O72 | C71 | O74 | 124.0° | 120.0° |
| O76 | C75 | C57 | 115.9° | 120.2° |
| O76 | C75 | C84 | 124.0° | 120.1° |
| N60 | C58 | O59 | 122.3° | 120.0° |
| N60 | C58 | C57 | 117.0° | 120.0° |
| C58 | N60 | H29 | 119.1° | 120.0° |
| C71 | O74 | H34 | 109.5° | 117.0° |
| O59 | C58 | C57 | 120.5° | 120.0° |
| C58 | C57 | C75 | 127.2° | 120.0° |
| C58 | C57 | C55 | 114.8° | 120.1° |
| C57 | C75 | C84 | 120.1° | 119.7° |
| C75 | C57 | C55 | 117.9° | 119.9° |
| C75 | C84 | C52 | 119.8° | 119.8° |
| C75 | C84 | H40 | 120.1° | 120.1° |
| C57 | C55 | C53 | 121.9° | 120.2° |
| C57 | C55 | H28 | 119.0° | 119.9° |
| C84 | C52 | C53 | 119.2° | 120.0° |
| C84 | C52 | C50 | 120.2° | 120.0° |
| C52 | C84 | H40 | 120.1° | 120.1° |
| C55 | C53 | C52 | 121.0° | 120.3° |
| C55 | C53 | H27 | 119.5° | 119.9° |
| C53 | C55 | H28 | 119.1° | 119.9° |
| C53 | C52 | C50 | 120.6° | 120.0° |
| C52 | C53 | H27 | 119.5° | 119.8° |
| C52 | C50 | C48 | 133.7° | 125.6° |
| C52 | C50 | O51 | 117.0° | 125.7° |
| C50 | C48 | C46 | 107.2° | 107.0° |
| C48 | C50 | O51 | 109.3° | 108.7° |
| C50 | C48 | H26 | 126.4° | 126.5° |
| C48 | C46 | C45 | 107.0° | 106.8° |
| C48 | C46 | H25 | 126.5° | 126.5° |
| C46 | C48 | H26 | 126.4° | 126.5° |
| C50 | O51 | C45 | 106.7° | 109.4° |
| C46 | C45 | O51 | 109.8° | 108.1° |
| C46 | C45 | C43 | 133.2° | 125.9° |
| C45 | C46 | H25 | 126.5° | 126.7° |
| O51 | C45 | C43 | 117.0° | 126.0° |
| C45 | C43 | N41 | 116.3° | 120.0° |
| C45 | C43 | O44 | 120.6° | 120.0° |
| C01 | C05 | C08 | 113.1° | 109.5° |
| C05 | C01 | H7 | 109.5° | 109.5° |
| C05 | C01 | H8 | 109.5° | 109.4° |
| C05 | C01 | H9 | 109.5° | 109.4° |
| C01 | C05 | H10 | 108.6° | 109.6° |
| C01 | C05 | H11 | 108.6° | 109.4° |
| C05 | C08 | C11 | 113.4° | 109.5° |
| C08 | C05 | H10 | 108.5° | 109.5° |
| C08 | C05 | H11 | 108.6° | 109.4° |
| C05 | C08 | H12 | 108.5° | 109.4° |
| C05 | C08 | H13 | 108.5° | 109.4° |
| N41 | C43 | O44 | 123.2° | 120.0° |
| C43 | N41 | C38 | 122.0° | 120.1° |
| C43 | N41 | H24 | 119.0° | 120.0° |
| C08 | C11 | C14 | 113.8° | 109.5° |
| C11 | C08 | H12 | 108.5° | 109.5° |
| C11 | C08 | H13 | 108.5° | 109.5° |
| C08 | C11 | H14 | 108.4° | 109.5° |
| C08 | C11 | H15 | 108.4° | 109.5° |
| N41 | C38 | N36 | 112.1° | 109.4° |
| N41 | C38 | H22 | 108.8° | 109.4° |
| N41 | C38 | H23 | 108.8° | 109.5° |
| C38 | N41 | H24 | 119.0° | 120.0° |
| C11 | C14 | C17 | 114.7° | 109.5° |
| C14 | C11 | H14 | 108.4° | 109.5° |
| C14 | C11 | H15 | 108.4° | 109.5° |
| C11 | C14 | H16 | 108.2° | 109.5° |
| C11 | C14 | H17 | 108.1° | 109.5° |
| O35 | C34 | N36 | 122.6° | 120.0° |
| O35 | C34 | C17 | 121.1° | 120.0° |
| C38 | N36 | C34 | 120.5° | 120.0° |
| C38 | N36 | H21 | 119.8° | 120.0° |
| N36 | C38 | H22 | 108.8° | 109.5° |
| N36 | C38 | H23 | 108.8° | 109.5° |
| C14 | C17 | C34 | 109.5° | 109.5° |
| C14 | C17 | C19 | 115.4° | 109.5° |
| C14 | C17 | H1 | 107.5° | 109.4° |
| C17 | C14 | H16 | 108.1° | 109.5° |
| C17 | C14 | H17 | 108.1° | 109.4° |
| N36 | C34 | C17 | 116.2° | 120.0° |
| C34 | N36 | H21 | 119.7° | 120.0° |
| C34 | C17 | C19 | 109.0° | 109.5° |
| C34 | C17 | H1 | 107.6° | 109.5° |
| C17 | C19 | C21 | 113.9° | 109.5° |
| C17 | C19 | N28 | 107.6° | 109.5° |
| C19 | C17 | H1 | 107.5° | 109.5° |
| C17 | C19 | H18 | 108.5° | 109.4° |
| C21 | C19 | N28 | 108.7° | 109.5° |
| C19 | C21 | C24 | 113.3° | 109.5° |
| C19 | C21 | H2 | 108.5° | 109.5° |
| C19 | C21 | H3 | 108.5° | 109.5° |
| C21 | C19 | H18 | 108.7° | 109.5° |
| C19 | N28 | C31 | 121.7° | 120.0° |
| C19 | N28 | O29 | 120.4° | 120.0° |
| N28 | C19 | H18 | 109.4° | 109.5° |
| C24 | C21 | H2 | 108.5° | 109.5° |
| C24 | C21 | H3 | 108.5° | 109.4° |
| C21 | C24 | H4 | 109.5° | 109.4° |
| C21 | C24 | H5 | 109.5° | 109.5° |
| C21 | C24 | H6 | 109.5° | 109.5° |
| N28 | C31 | O33 | 119.1° | 120.0° |
| C31 | N28 | O29 | 117.9° | 120.0° |
| N28 | C31 | H20 | 120.5° | 120.0° |
| O33 | C31 | H20 | 120.4° | 120.0° |
| N28 | O29 | H19 | 109.5° | 114.0° |
| H2 | C21 | H3 | 109.5° | 109.5° |
| H4 | C24 | H5 | 109.5° | 109.5° |
| H4 | C24 | H6 | 109.5° | 109.5° |
| H5 | C24 | H6 | 109.5° | 109.5° |
| H7 | C01 | H8 | 109.4° | 109.5° |
| H7 | C01 | H9 | 109.5° | 109.4° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H10 | C05 | H11 | 109.5° | 109.5° |
| H12 | C08 | H13 | 109.5° | 109.5° |
| H14 | C11 | H15 | 109.4° | 109.4° |
| H16 | C14 | H17 | 109.5° | 109.5° |
| H22 | C38 | H23 | 109.5° | 109.5° |
| H31 | C64 | H32 | 109.4° | 109.4° |
| H35 | C77 | H36 | 109.5° | 109.4° |
| H37 | C80 | H38 | 109.5° | 109.5° |
| H37 | C80 | H39 | 109.5° | 109.4° |
| H38 | C80 | H39 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O68 | C67 | O70 | C64 | 178.5° | 180.0° |
| O68 | C67 | C64 | C62 | 125.1° | 0.0° |
| O68 | C67 | C64 | H31 | 114.1° | 120.0° |
| O68 | C67 | C64 | H32 | 4.3° | 120.1° |
| O68 | C67 | O70 | H33 | 0.0° | 0.0° |
| O70 | C67 | C64 | C62 | 56.4° | 180.0° |
| O70 | C67 | C64 | H31 | 64.4° | 60.0° |
| O70 | C67 | C64 | H32 | 177.2° | 60.0° |
| C67 | C64 | C62 | H31 | 120.8° | 120.0° |
| C67 | C64 | C62 | H32 | 120.8° | 120.0° |
| C67 | C64 | C62 | N60 | 63.5° | 65.0° |
| C67 | C64 | C62 | C71 | 177.2° | 175.0° |
| C67 | C64 | C62 | H30 | 58.6° | 55.0° |
| C67 | C64 | H31 | H32 | 117.5° | 120.0° |
| C64 | C67 | O70 | H33 | 178.5° | 180.0° |
| C64 | C62 | N60 | C71 | 120.2° | 120.0° |
| C64 | C62 | N60 | H30 | 121.5° | 120.0° |
| C64 | C62 | C71 | H30 | 118.5° | 120.0° |
| C64 | C62 | C71 | O72 | 71.0° | 120.0° |
| C64 | C62 | N60 | C58 | 158.3° | 155.0° |
| C64 | C62 | C71 | O74 | 108.4° | 60.0° |
| C64 | C62 | N60 | H29 | 21.7° | 24.9° |
| C62 | C64 | H31 | H32 | 117.5° | 120.0° |
| C80 | C77 | O76 | H35 | 119.9° | 120.0° |
| C80 | C77 | O76 | H36 | 119.9° | 120.0° |
| C80 | C77 | O76 | C75 | 76.9° | 180.0° |
| C80 | C77 | H35 | H36 | 120.3° | 120.0° |
| C77 | C80 | H37 | H38 | 120.0° | 120.1° |
| C77 | C80 | H37 | H39 | 120.0° | 120.0° |
| C77 | C80 | H38 | H39 | 120.0° | 120.0° |
| C77 | O76 | C75 | C57 | 174.8° | 180.0° |
| C77 | O76 | C75 | C84 | 4.8° | 0.2° |
| O76 | C77 | H35 | H36 | 120.3° | 120.1° |
| O76 | C77 | C80 | H37 | 180.0° | 60.0° |
| O76 | C77 | C80 | H38 | 60.0° | 60.0° |
| O76 | C77 | C80 | H39 | 60.0° | 180.0° |
| N60 | C62 | C71 | H30 | 119.0° | 120.0° |
| N60 | C62 | C71 | O72 | 166.6° | 0.0° |
| C62 | N60 | C58 | H29 | 180.0° | 179.9° |
| N60 | C62 | C71 | O74 | 14.0° | 180.0° |
| C62 | N60 | C58 | O59 | 0.3° | 0.1° |
| C62 | N60 | C58 | C57 | 175.1° | 180.0° |
| N60 | C62 | C64 | H31 | 175.7° | 55.0° |
| N60 | C62 | C64 | H32 | 57.3° | 175.0° |
| C62 | C71 | O72 | O74 | 179.4° | 180.0° |
| C71 | C62 | N60 | C58 | 81.6° | 85.0° |
| C71 | C62 | N60 | H29 | 98.4° | 95.0° |
| C71 | C62 | C64 | H31 | 56.3° | 65.0° |
| C71 | C62 | C64 | H32 | 62.1° | 55.0° |
| C62 | C71 | O74 | H34 | 179.3° | 180.0° |
| O72 | C71 | C62 | H30 | 47.6° | 120.0° |
| O72 | C71 | O74 | H34 | 0.0° | 0.0° |
| O76 | C75 | C57 | C58 | 2.5° | 0.1° |
| O76 | C75 | C57 | C84 | 179.6° | 179.8° |
| O76 | C75 | C57 | C55 | 179.5° | 180.0° |
| O76 | C75 | C84 | C52 | 179.4° | 179.7° |
| C75 | O76 | C77 | H35 | 163.3° | 60.0° |
| C75 | O76 | C77 | H36 | 43.0° | 60.0° |
| O76 | C75 | C84 | H40 | 0.6° | 0.3° |
| N60 | C58 | O59 | C57 | 175.2° | 180.0° |
| N60 | C58 | C57 | C75 | 52.2° | 179.9° |
| N60 | C58 | C57 | C55 | 124.8° | 0.0° |
| C58 | N60 | C62 | H30 | 36.8° | 35.0° |
| O74 | C71 | C62 | H30 | 133.0° | 60.0° |
| O59 | C58 | C57 | C75 | 132.3° | 0.0° |
| O59 | C58 | C57 | C55 | 50.7° | 180.0° |
| O59 | C58 | N60 | H29 | 179.7° | 180.0° |
| C58 | C57 | C75 | C55 | 177.0° | 179.9° |
| C58 | C57 | C75 | C84 | 177.8° | 179.7° |
| C58 | C57 | C55 | C53 | 178.7° | 179.9° |
| C58 | C57 | C55 | H28 | 1.4° | 0.0° |
| C57 | C58 | N60 | H29 | 4.9° | 0.0° |
| C57 | C75 | C84 | C52 | 0.2° | 0.5° |
| C75 | C57 | C55 | C53 | 1.3° | 0.0° |
| C75 | C57 | C55 | H28 | 178.7° | 180.0° |
| C57 | C75 | C84 | H40 | 179.8° | 180.0° |
| C84 | C75 | C57 | C55 | 0.9° | 0.2° |
| C75 | C84 | C52 | H40 | 180.0° | 179.5° |
| C75 | C84 | C52 | C53 | 0.9° | 0.6° |
| C75 | C84 | C52 | C50 | 179.2° | 179.7° |
| C57 | C55 | C53 | H28 | 180.0° | 180.0° |
| C57 | C55 | C53 | C52 | 0.7° | 0.1° |
| C57 | C55 | C53 | H27 | 179.3° | 179.9° |
| C84 | C52 | C53 | C55 | 0.5° | 0.4° |
| C84 | C52 | C53 | C50 | 178.2° | 179.7° |
| C84 | C52 | C50 | C48 | 9.1° | 179.7° |
| C84 | C52 | C50 | O51 | 173.5° | 0.0° |
| C84 | C52 | C53 | H27 | 179.5° | 179.8° |
| C55 | C53 | C52 | H27 | 180.0° | 179.8° |
| C55 | C53 | C52 | C50 | 178.7° | 180.0° |
| C53 | C52 | C50 | C48 | 169.2° | 0.0° |
| C53 | C52 | C50 | O51 | 8.3° | 179.7° |
| C52 | C53 | C55 | H28 | 179.4° | 180.0° |
| C53 | C52 | C84 | H40 | 179.1° | 180.0° |
| C52 | C50 | C48 | O51 | 177.6° | 179.8° |
| C52 | C50 | C48 | C46 | 178.3° | 180.0° |
| C52 | C50 | O51 | C45 | 179.5° | 179.8° |
| C52 | C50 | C48 | H26 | 1.7° | 0.3° |
| C50 | C52 | C53 | H27 | 1.3° | 0.1° |
| C50 | C52 | C84 | H40 | 0.9° | 0.3° |
| C50 | C48 | C46 | H26 | 180.0° | 179.7° |
| C50 | C48 | C46 | C45 | 0.3° | 0.0° |
| C48 | C50 | O51 | C45 | 1.4° | 0.5° |
| C50 | C48 | C46 | H25 | 179.7° | 180.0° |
| C46 | C48 | C50 | O51 | 0.7° | 0.3° |
| C48 | C46 | C45 | H25 | 180.0° | 179.9° |
| C48 | C46 | C45 | O51 | 1.2° | 0.3° |
| C48 | C46 | C45 | C43 | 178.5° | 180.0° |
| C50 | O51 | C45 | C46 | 1.6° | 0.5° |
| C50 | O51 | C45 | C43 | 179.4° | 179.8° |
| O51 | C50 | C48 | H26 | 179.2° | 180.0° |
| C46 | C45 | O51 | C43 | 177.8° | 179.7° |
| C46 | C45 | C43 | N41 | 176.7° | 180.0° |
| C46 | C45 | C43 | O44 | 4.4° | 0.0° |
| C45 | C46 | C48 | H26 | 179.8° | 179.7° |
| O51 | C45 | C43 | N41 | 6.2° | 0.3° |
| O51 | C45 | C43 | O44 | 172.7° | 179.7° |
| O51 | C45 | C46 | H25 | 178.8° | 179.8° |
| C45 | C43 | N41 | O44 | 178.8° | 180.0° |
| C45 | C43 | N41 | C38 | 177.9° | 180.0° |
| C45 | C43 | N41 | H24 | 2.1° | 0.0° |
| C43 | C45 | C46 | H25 | 1.5° | 0.1° |
| C01 | C05 | C08 | H10 | 120.5° | 120.1° |
| C01 | C05 | C08 | H11 | 120.6° | 119.9° |
| C01 | C05 | C08 | C11 | 166.9° | 180.0° |
| C05 | C01 | H7 | H8 | 120.0° | 120.0° |
| C05 | C01 | H7 | H9 | 120.0° | 119.9° |
| C05 | C01 | H8 | H9 | 120.0° | 119.9° |
| C01 | C05 | H10 | H11 | 118.4° | 120.0° |
| C01 | C05 | C08 | H12 | 46.3° | 59.9° |
| C01 | C05 | C08 | H13 | 72.5° | 60.0° |
| C05 | C08 | C11 | H12 | 120.6° | 120.0° |
| C05 | C08 | C11 | H13 | 120.6° | 120.0° |
| C05 | C08 | C11 | C14 | 170.3° | 180.0° |
| C08 | C05 | C01 | H7 | 180.0° | 59.9° |
| C08 | C05 | C01 | H8 | 60.0° | 180.0° |
| C08 | C05 | C01 | H9 | 60.0° | 60.0° |
| C08 | C05 | H10 | H11 | 118.3° | 119.9° |
| C05 | C08 | H12 | H13 | 118.2° | 120.0° |
| C05 | C08 | C11 | H14 | 69.0° | 59.9° |
| C05 | C08 | C11 | H15 | 49.7° | 60.0° |
| C43 | N41 | C38 | H24 | 180.0° | 180.0° |
| C43 | N41 | C38 | N36 | 69.4° | 95.0° |
| C43 | N41 | C38 | H22 | 51.0° | 25.0° |
| C43 | N41 | C38 | H23 | 170.2° | 145.0° |
| O44 | C43 | N41 | C38 | 0.9° | 0.0° |
| O44 | C43 | N41 | H24 | 179.1° | 180.0° |
| C08 | C11 | C14 | H14 | 120.7° | 120.0° |
| C08 | C11 | C14 | H15 | 120.6° | 120.0° |
| C08 | C11 | C14 | C17 | 165.7° | 174.8° |
| C11 | C08 | C05 | H10 | 72.6° | 59.9° |
| C11 | C08 | C05 | H11 | 46.3° | 60.0° |
| C11 | C08 | H12 | H13 | 118.2° | 120.0° |
| C08 | C11 | H14 | H15 | 118.1° | 119.9° |
| C08 | C11 | C14 | H16 | 73.5° | 54.8° |
| C08 | C11 | C14 | H17 | 45.0° | 65.2° |
| N41 | C38 | N36 | H22 | 120.4° | 119.9° |
| N41 | C38 | N36 | H23 | 120.4° | 120.0° |
| N41 | C38 | N36 | C34 | 63.8° | 95.0° |
| N41 | C38 | N36 | H21 | 116.2° | 85.0° |
| N41 | C38 | H22 | H23 | 118.8° | 120.0° |
| C11 | C14 | C17 | H16 | 120.8° | 120.0° |
| C11 | C14 | C17 | H17 | 120.8° | 120.0° |
| C11 | C14 | C17 | C34 | 55.6° | 66.4° |
| C11 | C14 | C17 | C19 | 179.1° | 173.6° |
| C11 | C14 | C17 | H1 | 60.9° | 53.6° |
| C14 | C11 | C08 | H12 | 49.8° | 60.0° |
| C14 | C11 | C08 | H13 | 69.1° | 60.0° |
| C14 | C11 | H14 | H15 | 118.0° | 120.0° |
| C11 | C14 | H16 | H17 | 117.6° | 120.0° |
| O35 | C34 | N36 | C38 | 1.0° | 0.0° |
| O35 | C34 | C17 | C14 | 71.4° | 0.0° |
| O35 | C34 | N36 | C17 | 178.8° | 180.0° |
| O35 | C34 | C17 | C19 | 55.8° | 120.0° |
| O35 | C34 | C17 | H1 | 172.1° | 119.9° |
| O35 | C34 | N36 | H21 | 179.1° | 179.9° |
| C38 | N36 | C34 | H21 | 180.0° | 179.9° |
| C38 | N36 | C34 | C17 | 177.8° | 180.0° |
| N36 | C38 | H22 | H23 | 118.8° | 120.1° |
| N36 | C38 | N41 | H24 | 110.5° | 85.0° |
| C14 | C17 | C34 | N36 | 107.4° | 180.0° |
| C14 | C17 | C34 | C19 | 127.2° | 120.0° |
| C14 | C17 | C34 | H1 | 116.5° | 120.0° |
| C14 | C17 | C19 | H1 | 119.9° | 120.0° |
| C14 | C17 | C19 | C21 | 58.3° | 54.9° |
| C14 | C17 | C19 | N28 | 178.8° | 174.9° |
| C17 | C14 | C11 | H14 | 45.1° | 54.8° |
| C17 | C14 | C11 | H15 | 73.6° | 65.2° |
| C17 | C14 | H16 | H17 | 117.6° | 120.0° |
| C14 | C17 | C19 | H18 | 62.9° | 65.1° |
| N36 | C34 | C17 | C19 | 125.4° | 60.0° |
| N36 | C34 | C17 | H1 | 9.1° | 60.0° |
| C34 | N36 | C38 | H22 | 175.8° | 145.0° |
| C34 | N36 | C38 | H23 | 56.6° | 25.0° |
| C34 | C17 | C19 | H1 | 116.4° | 120.0° |
| C34 | C17 | C19 | C21 | 178.0° | 174.9° |
| C34 | C17 | C19 | N28 | 57.5° | 65.1° |
| C34 | C17 | C14 | H16 | 65.2° | 173.6° |
| C34 | C17 | C14 | H17 | 176.4° | 53.6° |
| C34 | C17 | C19 | H18 | 60.8° | 54.9° |
| C17 | C34 | N36 | H21 | 2.1° | 0.0° |
| C17 | C19 | C21 | N28 | 120.0° | 120.0° |
| C17 | C19 | C21 | H18 | 121.1° | 120.0° |
| C17 | C19 | N28 | H18 | 117.7° | 119.9° |
| C17 | C19 | C21 | C24 | 176.8° | 176.5° |
| C17 | C19 | N28 | C31 | 119.5° | 60.0° |
| C17 | C19 | N28 | O29 | 59.5° | 120.0° |
| C17 | C19 | C21 | H2 | 56.2° | 63.5° |
| C17 | C19 | C21 | H3 | 62.6° | 56.5° |
| C19 | C17 | C14 | H16 | 58.3° | 53.6° |
| C19 | C17 | C14 | H17 | 60.1° | 66.4° |
| C21 | C19 | N28 | H18 | 118.5° | 120.0° |
| C19 | C21 | C24 | H2 | 120.6° | 120.0° |
| C19 | C21 | C24 | H3 | 120.6° | 120.0° |
| C21 | C19 | N28 | C31 | 116.7° | 60.0° |
| C21 | C19 | N28 | O29 | 64.3° | 120.0° |
| C21 | C19 | C17 | H1 | 61.6° | 65.1° |
| C19 | C21 | H2 | H3 | 118.2° | 120.0° |
| C19 | C21 | C24 | H4 | 180.0° | 60.0° |
| C19 | C21 | C24 | H5 | 60.0° | 60.0° |
| C19 | C21 | C24 | H6 | 60.0° | 180.0° |
| N28 | C19 | C21 | C24 | 63.2° | 63.5° |
| C19 | N28 | C31 | O29 | 179.0° | 180.0° |
| C19 | N28 | C31 | O33 | 179.2° | 180.0° |
| N28 | C19 | C17 | H1 | 58.9° | 54.9° |
| N28 | C19 | C21 | H2 | 176.2° | 56.5° |
| N28 | C19 | C21 | H3 | 57.4° | 176.5° |
| C19 | N28 | O29 | H19 | 179.1° | 180.0° |
| C19 | N28 | C31 | H20 | 0.8° | 0.0° |
| C24 | C21 | H2 | H3 | 118.3° | 120.0° |
| C21 | C24 | H4 | H5 | 120.0° | 120.0° |
| C21 | C24 | H4 | H6 | 120.0° | 120.0° |
| C21 | C24 | H5 | H6 | 120.0° | 120.0° |
| C24 | C21 | C19 | H18 | 55.7° | 56.6° |
| N28 | C31 | O33 | H20 | 180.0° | 180.0° |
| C31 | N28 | C19 | H18 | 1.8° | 180.0° |
| C31 | N28 | O29 | H19 | 0.1° | 0.0° |
| O33 | C31 | N28 | O29 | 0.2° | 0.0° |
| O29 | N28 | C19 | H18 | 177.2° | 0.0° |
| O29 | N28 | C31 | H20 | 179.8° | 180.0° |
| H1 | C17 | C14 | H16 | 178.3° | 66.4° |
| H1 | C17 | C14 | H17 | 59.8° | 173.6° |
| H1 | C17 | C19 | H18 | 177.1° | 174.9° |
| H2 | C21 | C24 | H4 | 59.4° | 60.0° |
| H2 | C21 | C24 | H5 | 179.4° | 180.0° |
| H2 | C21 | C24 | H6 | 60.6° | 60.0° |
| H2 | C21 | C19 | H18 | 64.9° | 176.6° |
| H3 | C21 | C24 | H4 | 59.4° | 180.0° |
| H3 | C21 | C24 | H5 | 60.6° | 60.0° |
| H3 | C21 | C24 | H6 | 179.4° | 60.0° |
| H3 | C21 | C19 | H18 | 176.3° | 63.4° |
| H4 | C24 | H5 | H6 | 120.0° | 120.0° |
| H7 | C01 | H8 | H9 | 120.0° | 120.0° |
| H7 | C01 | C05 | H10 | 59.5° | 180.0° |
| H7 | C01 | C05 | H11 | 59.5° | 60.0° |
| H8 | C01 | C05 | H10 | 60.5° | 59.9° |
| H8 | C01 | C05 | H11 | 179.4° | 60.1° |
| H9 | C01 | C05 | H10 | 179.5° | 60.1° |
| H9 | C01 | C05 | H11 | 60.6° | 179.9° |
| H10 | C05 | C08 | H12 | 166.8° | 179.9° |
| H10 | C05 | C08 | H13 | 48.0° | 60.1° |
| H11 | C05 | C08 | H12 | 74.3° | 60.0° |
| H11 | C05 | C08 | H13 | 166.9° | 180.0° |
| H12 | C08 | C11 | H14 | 170.4° | 179.9° |
| H12 | C08 | C11 | H15 | 70.9° | 60.0° |
| H13 | C08 | C11 | H14 | 51.6° | 60.1° |
| H13 | C08 | C11 | H15 | 170.3° | 180.0° |
| H14 | C11 | C14 | H16 | 165.8° | 65.2° |
| H14 | C11 | C14 | H17 | 75.7° | 174.8° |
| H15 | C11 | C14 | H16 | 47.2° | 174.8° |
| H15 | C11 | C14 | H17 | 165.6° | 54.8° |
| H21 | N36 | C38 | H22 | 4.2° | 34.9° |
| H21 | N36 | C38 | H23 | 123.4° | 155.0° |
| H22 | C38 | N41 | H24 | 129.0° | 155.0° |
| H23 | C38 | N41 | H24 | 9.9° | 35.0° |
| H25 | C46 | C48 | H26 | 0.2° | 0.3° |
| H27 | C53 | C55 | H28 | 0.7° | 0.1° |
| H29 | N60 | C62 | H30 | 143.2° | 145.0° |
| H30 | C62 | C64 | H31 | 62.2° | 175.0° |
| H30 | C62 | C64 | H32 | 179.4° | 65.0° |
| H35 | C77 | C80 | H37 | 60.1° | 179.9° |
| H35 | C77 | C80 | H38 | 59.9° | 60.0° |
| H35 | C77 | C80 | H39 | 179.9° | 60.0° |
| H36 | C77 | C80 | H37 | 60.1° | 60.0° |
| H36 | C77 | C80 | H38 | 179.9° | 179.9° |
| H36 | C77 | C80 | H39 | 59.9° | 60.0° |
| H37 | C80 | H38 | H39 | 120.0° | 119.9° |
