FVP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C45 | C44 | sing | 1.53Å | 1.55Å | |
| C45 | N46 | sing | 1.47Å | 1.47Å | |
| C44 | O43 | sing | 1.43Å | 1.44Å | |
| O43 | C38 | sing | 1.43Å | 1.36Å | |
| C38 | O39 | sing | 1.43Å | 1.51Å | |
| C38 | C37 | sing | 1.53Å | 1.53Å | |
| O39 | C40 | sing | 1.43Å | 1.48Å | |
| O47 | C37 | sing | 1.43Å | 1.45Å | |
| C37 | C36 | sing | 1.53Å | 1.48Å | |
| C40 | C41 | sing | 1.53Å | 1.50Å | |
| C40 | C35 | sing | 1.53Å | 1.54Å | |
| C36 | C35 | sing | 1.53Å | 1.46Å | |
| C36 | O48 | sing | 1.43Å | 1.46Å | |
| O49 | C31 | sing | 1.43Å | 1.44Å | |
| C41 | O42 | sing | 1.43Å | 1.45Å | |
| C35 | O34 | sing | 1.43Å | 1.48Å | |
| O34 | C32 | sing | 1.43Å | 1.41Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C31 | C30 | sing | 1.53Å | 1.49Å | |
| O50 | C30 | sing | 1.43Å | 1.47Å | |
| C32 | O33 | sing | 1.43Å | 1.48Å | |
| C30 | C29 | sing | 1.53Å | 1.49Å | |
| O51 | C29 | sing | 1.43Å | 1.44Å | |
| O33 | C28 | sing | 1.43Å | 1.48Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C28 | C27 | sing | 1.53Å | 1.55Å | |
| C27 | O26 | sing | 1.43Å | 1.43Å | |
| O26 | C19 | sing | 1.43Å | 1.37Å | |
| C20 | C19 | sing | 1.53Å | 1.55Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C19 | C23 | sing | 1.51Å | 1.57Å | |
| C19 | O18 | sing | 1.43Å | 1.46Å | |
| O24 | C23 | doub | 1.21Å | 1.27Å | |
| C23 | O25 | sing | 1.34Å | 1.28Å | |
| O18 | C17 | sing | 1.43Å | 1.51Å | |
| O22 | C21 | sing | 1.43Å | 1.45Å | |
| C21 | C16 | sing | 1.53Å | 1.49Å | |
| C66 | C60 | sing | 1.51Å | 1.55Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | N15 | sing | 1.46Å | 1.51Å | |
| C17 | C52 | sing | 1.53Å | 1.51Å | |
| O68 | C52 | sing | 1.43Å | 1.42Å | |
| O57 | C56 | doub | 1.22Å | 1.20Å | |
| C59 | C60 | doub | 1.38Å | 1.38Å | Aromatic |
| C59 | C58 | sing | 1.40Å | 1.42Å | Aromatic |
| C60 | C61 | sing | 1.39Å | 1.43Å | Aromatic |
| C52 | C53 | sing | 1.53Å | 1.55Å | |
| C53 | O67 | sing | 1.43Å | 1.41Å | |
| C53 | C54 | sing | 1.53Å | 1.51Å | |
| O14 | C13 | doub | 1.21Å | 1.19Å | |
| N15 | C13 | sing | 1.35Å | 1.47Å | |
| C56 | C58 | sing | 1.48Å | 1.56Å | |
| C56 | N55 | sing | 1.35Å | 1.49Å | |
| C58 | C63 | doub | 1.40Å | 1.41Å | Aromatic |
| C61 | O65 | sing | 1.36Å | 1.42Å | |
| C61 | C62 | doub | 1.39Å | 1.42Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.56Å | |
| C54 | N55 | sing | 1.47Å | 1.49Å | |
| C63 | C62 | sing | 1.38Å | 1.40Å | Aromatic |
| C62 | C64 | sing | 1.51Å | 1.58Å | |
| N05 | N01 | sing | 1.29Å | 1.37Å | Aromatic |
| N05 | N04 | doub | 1.29Å | 1.37Å | Aromatic |
| C12 | N01 | sing | 1.46Å | 1.46Å | |
| N01 | C02 | sing | 1.35Å | 1.35Å | Aromatic |
| N04 | C03 | sing | 1.34Å | 1.34Å | Aromatic |
| C03 | C02 | doub | 1.35Å | 1.40Å | Aromatic |
| C03 | C06 | sing | 1.51Å | 1.55Å | |
| C06 | C11 | sing | 1.53Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.55Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C10 | C09 | sing | 1.53Å | 1.55Å | |
| C08 | C09 | sing | 1.53Å | 1.54Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.08Å | 1.08Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| C35 | H27 | sing | 1.09Å | 1.10Å | |
| C36 | H28 | sing | 1.09Å | 1.10Å | |
| C37 | H29 | sing | 1.09Å | 1.10Å | |
| C38 | H30 | sing | 1.09Å | 1.10Å | |
| C40 | H31 | sing | 1.09Å | 1.10Å | |
| C41 | H32 | sing | 1.09Å | 1.10Å | |
| C41 | H33 | sing | 1.09Å | 1.10Å | |
| C44 | H34 | sing | 1.09Å | 1.10Å | |
| C44 | H35 | sing | 1.09Å | 1.10Å | |
| C45 | H36 | sing | 1.09Å | 1.10Å | |
| C45 | H37 | sing | 1.09Å | 1.10Å | |
| C52 | H38 | sing | 1.09Å | 1.10Å | |
| C53 | H39 | sing | 1.09Å | 1.10Å | |
| C54 | H40 | sing | 1.09Å | 1.10Å | |
| C54 | H41 | sing | 1.09Å | 1.10Å | |
| C59 | H42 | sing | 1.08Å | 1.08Å | |
| C63 | H43 | sing | 1.08Å | 1.08Å | |
| C64 | H44 | sing | 1.09Å | 1.10Å | |
| C64 | H45 | sing | 1.09Å | 1.10Å | |
| C64 | H46 | sing | 1.09Å | 1.10Å | |
| C66 | H47 | sing | 1.09Å | 1.10Å | |
| C66 | H48 | sing | 1.09Å | 1.10Å | |
| C66 | H49 | sing | 1.09Å | 1.10Å | |
| N15 | H50 | sing | 0.97Å | 1.00Å | |
| N46 | H51 | sing | 1.01Å | 1.00Å | |
| N46 | H52 | sing | 1.01Å | 1.00Å | |
| N55 | H54 | sing | 0.97Å | 1.00Å | |
| O22 | H55 | sing | 0.97Å | 0.95Å | |
| O25 | H56 | sing | 0.97Å | 0.95Å | |
| O42 | H57 | sing | 0.97Å | 0.95Å | |
| O47 | H58 | sing | 0.97Å | 0.95Å | |
| O48 | H59 | sing | 0.97Å | 0.95Å | |
| O49 | H60 | sing | 0.97Å | 0.95Å | |
| O50 | H61 | sing | 0.97Å | 0.95Å | |
| O51 | H62 | sing | 0.97Å | 0.95Å | |
| O65 | H63 | sing | 0.97Å | 0.95Å | |
| O67 | H64 | sing | 0.97Å | 0.95Å | |
| O68 | H65 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C44 | C45 | N46 | 114.3° | 109.5° |
| C45 | C44 | O43 | 114.2° | 109.5° |
| C45 | C44 | H34 | 108.3° | 109.5° |
| C45 | C44 | H35 | 108.3° | 109.4° |
| C44 | C45 | H36 | 108.3° | 109.5° |
| C44 | C45 | H37 | 108.2° | 109.5° |
| N46 | C45 | H36 | 108.2° | 109.4° |
| N46 | C45 | H37 | 108.2° | 109.5° |
| C45 | N46 | H51 | 109.5° | 111.0° |
| C45 | N46 | H52 | 109.5° | 111.0° |
| C44 | O43 | C38 | 118.7° | 114.0° |
| O43 | C44 | H34 | 108.3° | 109.5° |
| O43 | C44 | H35 | 108.3° | 109.5° |
| O43 | C38 | O39 | 102.5° | 109.5° |
| O43 | C38 | C37 | 110.8° | 109.5° |
| O43 | C38 | H30 | 111.1° | 109.5° |
| O39 | C38 | C37 | 114.8° | 109.4° |
| C38 | O39 | C40 | 119.3° | 114.1° |
| O39 | C38 | H30 | 108.9° | 109.5° |
| C38 | C37 | O47 | 112.7° | 109.6° |
| C38 | C37 | C36 | 110.6° | 109.1° |
| C38 | C37 | H29 | 109.5° | 109.5° |
| C37 | C38 | H30 | 108.6° | 109.4° |
| O39 | C40 | C41 | 108.6° | 109.5° |
| O39 | C40 | C35 | 115.1° | 109.4° |
| O39 | C40 | H31 | 105.9° | 109.4° |
| O47 | C37 | C36 | 102.9° | 109.6° |
| O47 | C37 | H29 | 110.7° | 109.5° |
| C37 | O47 | H58 | 109.5° | 114.1° |
| C37 | C36 | C35 | 113.8° | 109.0° |
| C37 | C36 | O48 | 108.3° | 109.5° |
| C37 | C36 | H28 | 109.4° | 109.6° |
| C36 | C37 | H29 | 110.3° | 109.5° |
| C41 | C40 | C35 | 115.3° | 109.5° |
| C40 | C41 | O42 | 113.9° | 109.5° |
| C41 | C40 | H31 | 105.7° | 109.4° |
| C40 | C41 | H32 | 108.4° | 109.5° |
| C40 | C41 | H33 | 108.3° | 109.4° |
| C40 | C35 | C36 | 114.8° | 109.2° |
| C40 | C35 | O34 | 110.0° | 109.5° |
| C40 | C35 | H27 | 109.4° | 109.5° |
| C35 | C40 | H31 | 105.2° | 109.5° |
| C35 | C36 | O48 | 106.1° | 109.6° |
| C36 | C35 | O34 | 101.7° | 109.5° |
| C36 | C35 | H27 | 110.5° | 109.5° |
| C35 | C36 | H28 | 109.6° | 109.5° |
| O48 | C36 | H28 | 109.6° | 109.5° |
| C36 | O48 | H59 | 109.5° | 114.0° |
| O49 | C31 | C32 | 108.8° | 109.6° |
| O49 | C31 | C30 | 103.8° | 109.5° |
| O49 | C31 | H25 | 110.3° | 109.6° |
| C31 | O49 | H60 | 109.5° | 113.9° |
| O42 | C41 | H32 | 108.4° | 109.5° |
| O42 | C41 | H33 | 108.4° | 109.5° |
| C41 | O42 | H57 | 109.5° | 114.0° |
| C35 | O34 | C32 | 108.7° | 114.0° |
| O34 | C35 | H27 | 110.2° | 109.5° |
| O34 | C32 | C31 | 108.9° | 109.5° |
| O34 | C32 | O33 | 103.0° | 109.4° |
| O34 | C32 | H26 | 111.6° | 109.5° |
| C32 | C31 | C30 | 114.9° | 109.1° |
| C31 | C32 | O33 | 112.7° | 109.4° |
| C32 | C31 | H25 | 109.2° | 109.6° |
| C31 | C32 | H26 | 110.0° | 109.5° |
| C31 | C30 | O50 | 104.9° | 109.6° |
| C31 | C30 | C29 | 113.7° | 109.0° |
| C31 | C30 | H24 | 108.6° | 109.5° |
| C30 | C31 | H25 | 109.7° | 109.5° |
| O50 | C30 | C29 | 112.2° | 109.6° |
| O50 | C30 | H24 | 108.7° | 109.6° |
| C30 | O50 | H61 | 109.5° | 114.0° |
| C32 | O33 | C28 | 112.7° | 114.1° |
| O33 | C32 | H26 | 110.5° | 109.5° |
| C30 | C29 | O51 | 107.8° | 109.5° |
| C30 | C29 | C28 | 104.2° | 109.2° |
| C30 | C29 | H23 | 110.0° | 109.5° |
| C29 | C30 | H24 | 108.5° | 109.5° |
| O51 | C29 | C28 | 114.6° | 109.5° |
| O51 | C29 | H23 | 110.6° | 109.5° |
| C29 | O51 | H62 | 109.5° | 114.0° |
| O33 | C28 | C29 | 108.0° | 109.4° |
| O33 | C28 | C27 | 113.9° | 109.5° |
| O33 | C28 | H7 | 106.6° | 109.5° |
| C29 | C28 | C27 | 115.7° | 109.5° |
| C29 | C28 | H7 | 106.1° | 109.5° |
| C28 | C29 | H23 | 109.4° | 109.5° |
| C28 | C27 | O26 | 110.7° | 109.5° |
| C27 | C28 | H7 | 105.8° | 109.5° |
| C28 | C27 | H21 | 109.2° | 109.5° |
| C28 | C27 | H22 | 109.1° | 109.5° |
| C27 | O26 | C19 | 118.8° | 114.0° |
| O26 | C27 | H21 | 109.1° | 109.5° |
| O26 | C27 | H22 | 109.2° | 109.5° |
| O26 | C19 | C20 | 108.6° | 109.4° |
| O26 | C19 | C23 | 112.2° | 109.5° |
| O26 | C19 | O18 | 104.6° | 109.5° |
| C19 | C20 | C21 | 113.2° | 109.1° |
| C20 | C19 | C23 | 110.1° | 109.5° |
| C20 | C19 | O18 | 114.4° | 109.4° |
| C19 | C20 | H4 | 108.5° | 109.5° |
| C19 | C20 | H5 | 108.5° | 109.6° |
| C20 | C21 | O22 | 110.9° | 109.5° |
| C20 | C21 | C16 | 110.2° | 109.0° |
| C21 | C20 | H4 | 108.5° | 109.5° |
| C21 | C20 | H5 | 108.5° | 109.6° |
| C20 | C21 | H6 | 108.9° | 109.6° |
| C23 | C19 | O18 | 106.9° | 109.5° |
| C19 | C23 | O24 | 121.1° | 120.0° |
| C19 | C23 | O25 | 120.0° | 120.0° |
| C19 | O18 | C17 | 108.5° | 114.1° |
| O24 | C23 | O25 | 118.9° | 120.0° |
| C23 | O25 | H56 | 109.5° | 117.0° |
| O18 | C17 | C16 | 109.1° | 109.4° |
| O18 | C17 | C52 | 110.3° | 109.5° |
| O18 | C17 | H3 | 108.2° | 109.5° |
| O22 | C21 | C16 | 107.9° | 109.5° |
| O22 | C21 | H6 | 109.7° | 109.6° |
| C21 | O22 | H55 | 109.5° | 114.0° |
| C21 | C16 | C17 | 110.0° | 109.1° |
| C21 | C16 | N15 | 112.8° | 109.6° |
| C16 | C21 | H6 | 109.2° | 109.6° |
| C21 | C16 | H20 | 109.8° | 109.5° |
| C66 | C60 | C59 | 117.3° | 119.9° |
| C66 | C60 | C61 | 123.5° | 120.0° |
| C60 | C66 | H47 | 109.5° | 109.4° |
| C60 | C66 | H48 | 109.5° | 109.5° |
| C60 | C66 | H49 | 109.5° | 109.5° |
| C17 | C16 | N15 | 105.1° | 109.5° |
| C16 | C17 | C52 | 112.8° | 109.5° |
| C16 | C17 | H3 | 108.0° | 109.5° |
| C17 | C16 | H20 | 109.4° | 109.5° |
| C16 | N15 | C13 | 121.6° | 120.0° |
| N15 | C16 | H20 | 109.5° | 109.5° |
| C16 | N15 | H50 | 119.2° | 120.0° |
| C17 | C52 | O68 | 111.4° | 109.5° |
| C17 | C52 | C53 | 110.5° | 109.5° |
| C52 | C17 | H3 | 108.2° | 109.4° |
| C17 | C52 | H38 | 109.0° | 109.5° |
| O68 | C52 | C53 | 107.3° | 109.5° |
| O68 | C52 | H38 | 110.1° | 109.5° |
| C52 | O68 | H65 | 109.5° | 114.0° |
| O57 | C56 | C58 | 119.9° | 120.0° |
| O57 | C56 | N55 | 122.2° | 120.0° |
| C60 | C59 | C58 | 119.7° | 119.9° |
| C59 | C60 | C61 | 119.2° | 120.1° |
| C60 | C59 | H42 | 120.2° | 120.0° |
| C59 | C58 | C56 | 117.7° | 120.1° |
| C59 | C58 | C63 | 121.9° | 119.8° |
| C58 | C59 | H42 | 120.2° | 120.1° |
| C60 | C61 | O65 | 122.5° | 119.9° |
| C60 | C61 | C62 | 120.6° | 120.2° |
| C52 | C53 | O67 | 111.2° | 109.5° |
| C52 | C53 | C54 | 108.4° | 109.5° |
| C53 | C52 | H38 | 108.4° | 109.5° |
| C52 | C53 | H39 | 108.5° | 109.5° |
| O67 | C53 | C54 | 109.3° | 109.5° |
| O67 | C53 | H39 | 110.5° | 109.5° |
| C53 | O67 | H64 | 109.5° | 113.9° |
| C53 | C54 | N55 | 108.0° | 109.4° |
| C54 | C53 | H39 | 109.0° | 109.4° |
| C53 | C54 | H40 | 109.8° | 109.5° |
| C53 | C54 | H41 | 109.8° | 109.4° |
| O14 | C13 | N15 | 119.2° | 120.0° |
| O14 | C13 | C12 | 122.9° | 120.0° |
| N15 | C13 | C12 | 117.9° | 120.0° |
| C13 | N15 | H50 | 119.2° | 120.0° |
| C58 | C56 | N55 | 117.9° | 120.0° |
| C56 | C58 | C63 | 120.4° | 120.1° |
| C56 | N55 | C54 | 118.7° | 120.0° |
| C56 | N55 | H54 | 120.7° | 120.0° |
| C58 | C63 | C62 | 118.8° | 119.9° |
| C58 | C63 | H43 | 120.6° | 120.1° |
| O65 | C61 | C62 | 116.9° | 119.8° |
| C61 | O65 | H63 | 109.5° | 114.0° |
| C61 | C62 | C63 | 119.8° | 120.1° |
| C61 | C62 | C64 | 119.6° | 120.0° |
| C13 | C12 | N01 | 112.6° | 109.5° |
| C13 | C12 | H18 | 108.7° | 109.5° |
| C13 | C12 | H19 | 108.7° | 109.5° |
| N55 | C54 | H40 | 109.8° | 109.5° |
| N55 | C54 | H41 | 109.8° | 109.5° |
| C54 | N55 | H54 | 120.6° | 120.0° |
| C63 | C62 | C64 | 120.6° | 119.9° |
| C62 | C63 | H43 | 120.6° | 120.1° |
| C62 | C64 | H44 | 109.5° | 109.5° |
| C62 | C64 | H45 | 109.5° | 109.5° |
| C62 | C64 | H46 | 109.5° | 109.5° |
| N01 | N05 | N04 | 106.9° | 110.2° |
| N05 | N01 | C12 | 123.5° | 125.9° |
| N05 | N01 | C02 | 109.9° | 108.3° |
| N05 | N04 | C03 | 108.5° | 108.9° |
| C12 | N01 | C02 | 126.6° | 125.9° |
| N01 | C12 | H18 | 108.7° | 109.5° |
| N01 | C12 | H19 | 108.7° | 109.5° |
| N01 | C02 | C03 | 106.0° | 106.2° |
| N01 | C02 | H8 | 127.0° | 126.9° |
| N04 | C03 | C02 | 108.7° | 106.5° |
| N04 | C03 | C06 | 122.9° | 126.8° |
| C02 | C03 | C06 | 128.4° | 126.7° |
| C03 | C02 | H8 | 127.0° | 126.9° |
| C03 | C06 | C11 | 107.5° | 109.5° |
| C03 | C06 | C07 | 106.9° | 109.5° |
| C03 | C06 | H9 | 109.7° | 109.4° |
| C11 | C06 | C07 | 113.1° | 109.5° |
| C06 | C11 | C10 | 109.6° | 109.5° |
| C11 | C06 | H9 | 109.9° | 109.5° |
| C06 | C11 | H16 | 109.5° | 109.5° |
| C06 | C11 | H17 | 109.5° | 109.5° |
| C06 | C07 | C08 | 115.3° | 109.5° |
| C07 | C06 | H9 | 109.7° | 109.4° |
| C06 | C07 | H10 | 108.0° | 109.5° |
| C06 | C07 | H11 | 108.0° | 109.4° |
| C11 | C10 | C09 | 114.8° | 109.5° |
| C11 | C10 | H1 | 108.1° | 109.5° |
| C11 | C10 | H2 | 108.1° | 109.5° |
| C10 | C11 | H16 | 109.5° | 109.4° |
| C10 | C11 | H17 | 109.4° | 109.4° |
| C07 | C08 | C09 | 112.2° | 109.5° |
| C08 | C07 | H10 | 108.0° | 109.5° |
| C08 | C07 | H11 | 108.0° | 109.5° |
| C07 | C08 | H12 | 108.8° | 109.4° |
| C07 | C08 | H13 | 108.8° | 109.4° |
| C10 | C09 | C08 | 114.2° | 109.5° |
| C09 | C10 | H1 | 108.2° | 109.5° |
| C09 | C10 | H2 | 108.1° | 109.5° |
| C10 | C09 | H14 | 108.3° | 109.4° |
| C10 | C09 | H15 | 108.3° | 109.4° |
| C09 | C08 | H12 | 108.8° | 109.5° |
| C09 | C08 | H13 | 108.8° | 109.5° |
| C08 | C09 | H14 | 108.3° | 109.5° |
| C08 | C09 | H15 | 108.2° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H4 | C20 | H5 | 109.5° | 109.5° |
| H10 | C07 | H11 | 109.5° | 109.5° |
| H12 | C08 | H13 | 109.5° | 109.5° |
| H14 | C09 | H15 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.4° | 109.5° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| H21 | C27 | H22 | 109.5° | 109.5° |
| H32 | C41 | H33 | 109.5° | 109.5° |
| H34 | C44 | H35 | 109.5° | 109.5° |
| H36 | C45 | H37 | 109.5° | 109.5° |
| H40 | C54 | H41 | 109.5° | 109.5° |
| H44 | C64 | H45 | 109.5° | 109.5° |
| H44 | C64 | H46 | 109.4° | 109.5° |
| H45 | C64 | H46 | 109.5° | 109.4° |
| H47 | C66 | H48 | 109.4° | 109.4° |
| H47 | C66 | H49 | 109.5° | 109.4° |
| H48 | C66 | H49 | 109.5° | 109.5° |
| H51 | N46 | H52 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C44 | C45 | N46 | H36 | 120.7° | 120.0° |
| C44 | C45 | N46 | H37 | 120.7° | 120.0° |
| C45 | C44 | O43 | H34 | 120.7° | 120.0° |
| C45 | C44 | O43 | H35 | 120.7° | 120.0° |
| C45 | C44 | O43 | C38 | 83.4° | 180.0° |
| C45 | C44 | H34 | H35 | 117.8° | 120.0° |
| C44 | C45 | H36 | H37 | 117.8° | 120.0° |
| C44 | C45 | N46 | H51 | 180.0° | 180.0° |
| C44 | C45 | N46 | H52 | 60.0° | 56.1° |
| N46 | C45 | C44 | O43 | 95.6° | 65.0° |
| N46 | C45 | C44 | H34 | 143.7° | 175.0° |
| N46 | C45 | C44 | H35 | 25.1° | 55.0° |
| N46 | C45 | H36 | H37 | 117.8° | 120.0° |
| C45 | N46 | H51 | H52 | 120.0° | 124.0° |
| C44 | O43 | C38 | O39 | 76.5° | 65.0° |
| C44 | O43 | C38 | C37 | 160.6° | 175.0° |
| C44 | O43 | C38 | H30 | 39.7° | 55.1° |
| O43 | C44 | H34 | H35 | 117.8° | 120.0° |
| O43 | C44 | C45 | H36 | 143.7° | 175.0° |
| O43 | C44 | C45 | H37 | 25.1° | 55.0° |
| O43 | C38 | O39 | C37 | 120.2° | 120.0° |
| O43 | C38 | O39 | H30 | 117.8° | 120.0° |
| O43 | C38 | C37 | H30 | 122.3° | 120.0° |
| O43 | C38 | O39 | C40 | 105.1° | 178.9° |
| O43 | C38 | C37 | O47 | 99.3° | 62.4° |
| O43 | C38 | C37 | C36 | 146.1° | 177.6° |
| O43 | C38 | C37 | H29 | 24.4° | 57.8° |
| C38 | O43 | C44 | H34 | 37.3° | 60.0° |
| C38 | O43 | C44 | H35 | 155.8° | 60.0° |
| O39 | C38 | C37 | H30 | 122.2° | 120.0° |
| O39 | C38 | C37 | O47 | 145.2° | 177.6° |
| O39 | C38 | C37 | C36 | 30.7° | 57.6° |
| C38 | O39 | C40 | C41 | 98.9° | 178.9° |
| C38 | O39 | C40 | C35 | 32.1° | 61.1° |
| O39 | C38 | C37 | H29 | 91.1° | 62.3° |
| C38 | O39 | C40 | H31 | 148.0° | 58.9° |
| C37 | C38 | O39 | C40 | 15.0° | 61.1° |
| C38 | C37 | O47 | C36 | 119.1° | 119.7° |
| C38 | C37 | O47 | H29 | 123.0° | 120.1° |
| C38 | C37 | C36 | H29 | 121.3° | 119.8° |
| C38 | C37 | C36 | C35 | 62.1° | 57.0° |
| C38 | C37 | C36 | O48 | 179.7° | 176.8° |
| C38 | C37 | C36 | H28 | 60.9° | 63.0° |
| C38 | C37 | O47 | H58 | 180.0° | 60.3° |
| O39 | C40 | C41 | C35 | 131.0° | 120.0° |
| O39 | C40 | C41 | H31 | 113.2° | 120.0° |
| O39 | C40 | C35 | H31 | 116.2° | 119.9° |
| O39 | C40 | C35 | C36 | 2.2° | 57.5° |
| O39 | C40 | C41 | O42 | 127.5° | 65.0° |
| O39 | C40 | C35 | O34 | 111.8° | 177.5° |
| O39 | C40 | C35 | H27 | 127.0° | 62.4° |
| C40 | O39 | C38 | H30 | 137.1° | 58.8° |
| O39 | C40 | C41 | H32 | 6.8° | 175.0° |
| O39 | C40 | C41 | H33 | 111.8° | 55.0° |
| O47 | C37 | C36 | H29 | 118.1° | 120.2° |
| O47 | C37 | C36 | C35 | 177.4° | 177.0° |
| O47 | C37 | C36 | O48 | 59.7° | 63.2° |
| O47 | C37 | C36 | H28 | 59.7° | 57.0° |
| O47 | C37 | C38 | H30 | 23.0° | 57.6° |
| C37 | C36 | C35 | C40 | 45.1° | 57.0° |
| C37 | C36 | C35 | O48 | 118.9° | 119.9° |
| C37 | C36 | C35 | H28 | 122.8° | 120.0° |
| C37 | C36 | O48 | H28 | 119.2° | 120.3° |
| C37 | C36 | C35 | O34 | 163.8° | 176.9° |
| C37 | C36 | C35 | H27 | 79.1° | 63.0° |
| C36 | C37 | C38 | H30 | 91.5° | 62.4° |
| C36 | C37 | O47 | H58 | 60.8° | 180.0° |
| C37 | C36 | O48 | H59 | 180.0° | 60.4° |
| C41 | C40 | C35 | H31 | 116.0° | 120.0° |
| C41 | C40 | C35 | C36 | 125.6° | 177.6° |
| C40 | C41 | O42 | H32 | 120.7° | 120.0° |
| C40 | C41 | O42 | H33 | 120.6° | 120.0° |
| C41 | C40 | C35 | O34 | 120.5° | 62.5° |
| C41 | C40 | C35 | H27 | 0.8° | 57.6° |
| C40 | C41 | H32 | H33 | 117.9° | 119.9° |
| C40 | C41 | O42 | H57 | 180.0° | 180.0° |
| C40 | C35 | C36 | O34 | 118.7° | 119.9° |
| C40 | C35 | C36 | H27 | 124.3° | 119.9° |
| C40 | C35 | C36 | O48 | 164.1° | 176.8° |
| C35 | C40 | C41 | O42 | 3.5° | 175.0° |
| C40 | C35 | O34 | H27 | 120.7° | 120.1° |
| C40 | C35 | O34 | C32 | 68.0° | 150.1° |
| C40 | C35 | C36 | H28 | 77.7° | 63.0° |
| C35 | C40 | C41 | H32 | 124.2° | 55.0° |
| C35 | C40 | C41 | H33 | 117.2° | 65.0° |
| C35 | C36 | O48 | H28 | 118.2° | 120.2° |
| C36 | C35 | O34 | H27 | 117.2° | 120.1° |
| C36 | C35 | O34 | C32 | 170.0° | 90.2° |
| C35 | C36 | C37 | H29 | 59.2° | 62.9° |
| C36 | C35 | C40 | H31 | 118.4° | 62.4° |
| C35 | C36 | O48 | H59 | 57.5° | 180.0° |
| O48 | C36 | C35 | O34 | 77.2° | 63.2° |
| O48 | C36 | C35 | H27 | 39.8° | 56.9° |
| O48 | C36 | C37 | H29 | 58.4° | 57.0° |
| O49 | C31 | C32 | O34 | 94.4° | 62.6° |
| O49 | C31 | C32 | C30 | 115.9° | 119.9° |
| O49 | C31 | C32 | H25 | 120.4° | 120.3° |
| O49 | C31 | C30 | H25 | 117.9° | 120.1° |
| O49 | C31 | C30 | O50 | 72.0° | 63.2° |
| O49 | C31 | C32 | O33 | 152.0° | 177.5° |
| O49 | C31 | C30 | C29 | 165.0° | 176.9° |
| O49 | C31 | C30 | H24 | 44.0° | 57.1° |
| O49 | C31 | C32 | H26 | 28.2° | 57.5° |
| O42 | C41 | C40 | H31 | 119.3° | 55.0° |
| O42 | C41 | H32 | H33 | 118.0° | 120.0° |
| C35 | O34 | C32 | C31 | 140.4° | 175.0° |
| C35 | O34 | C32 | O33 | 99.7° | 65.1° |
| C35 | O34 | C32 | H26 | 18.8° | 54.9° |
| O34 | C35 | C36 | H28 | 41.0° | 56.9° |
| O34 | C35 | C40 | H31 | 4.4° | 57.5° |
| O34 | C32 | C31 | O33 | 113.6° | 119.9° |
| O34 | C32 | C31 | H26 | 122.6° | 120.1° |
| O34 | C32 | C31 | C30 | 149.7° | 177.5° |
| O34 | C32 | O33 | H26 | 119.3° | 120.0° |
| O34 | C32 | O33 | C28 | 162.8° | 178.9° |
| O34 | C32 | C31 | H25 | 26.1° | 57.7° |
| C32 | O34 | C35 | H27 | 52.8° | 30.0° |
| C32 | C31 | C30 | H25 | 123.4° | 120.0° |
| C32 | C31 | C30 | O50 | 169.3° | 176.9° |
| C31 | C32 | O33 | H26 | 123.5° | 120.0° |
| C32 | C31 | C30 | C29 | 46.2° | 57.0° |
| C31 | C32 | O33 | C28 | 45.7° | 61.2° |
| C32 | C31 | C30 | H24 | 74.7° | 62.8° |
| C32 | C31 | O49 | H60 | 180.0° | 60.0° |
| C31 | C30 | O50 | C29 | 124.0° | 119.6° |
| C31 | C30 | O50 | H24 | 116.0° | 120.2° |
| C30 | C31 | C32 | O33 | 36.1° | 57.6° |
| C31 | C30 | C29 | H24 | 120.9° | 119.8° |
| C31 | C30 | C29 | O51 | 61.4° | 63.0° |
| C31 | C30 | C29 | C28 | 60.8° | 57.0° |
| C31 | C30 | C29 | H23 | 178.0° | 176.9° |
| C30 | C31 | C32 | H26 | 87.7° | 62.4° |
| C30 | C31 | O49 | H60 | 57.2° | 179.6° |
| C31 | C30 | O50 | H61 | 180.0° | 60.4° |
| O50 | C30 | C29 | H24 | 120.1° | 120.2° |
| O50 | C30 | C29 | O51 | 57.6° | 57.0° |
| O50 | C30 | C29 | C28 | 179.7° | 176.9° |
| O50 | C30 | C29 | H23 | 63.1° | 63.1° |
| O50 | C30 | C31 | H25 | 45.9° | 57.0° |
| C32 | O33 | C28 | C29 | 63.6° | 61.1° |
| C32 | O33 | C28 | C27 | 166.4° | 178.9° |
| C32 | O33 | C28 | H7 | 50.0° | 58.8° |
| O33 | C32 | C31 | H25 | 87.5° | 62.2° |
| C30 | C29 | O51 | C28 | 115.5° | 119.7° |
| C30 | C29 | O51 | H23 | 120.3° | 120.1° |
| C30 | C29 | C28 | O33 | 68.8° | 57.6° |
| C30 | C29 | C28 | H23 | 117.6° | 119.9° |
| C30 | C29 | C28 | C27 | 162.2° | 177.6° |
| C30 | C29 | C28 | H7 | 45.3° | 62.4° |
| C29 | C30 | C31 | H25 | 77.2° | 63.0° |
| C29 | C30 | O50 | H61 | 56.0° | 180.0° |
| C30 | C29 | O51 | H62 | 180.0° | 60.3° |
| O51 | C29 | C28 | O33 | 48.8° | 62.4° |
| O51 | C29 | C28 | H23 | 124.8° | 120.1° |
| O51 | C29 | C28 | C27 | 80.2° | 57.6° |
| O51 | C29 | C28 | H7 | 162.8° | 177.7° |
| O51 | C29 | C30 | H24 | 177.7° | 177.2° |
| O33 | C28 | C29 | C27 | 129.0° | 120.0° |
| O33 | C28 | C29 | H7 | 114.0° | 120.0° |
| O33 | C28 | C27 | H7 | 116.8° | 120.0° |
| O33 | C28 | C27 | O26 | 82.2° | 65.0° |
| O33 | C28 | C27 | H21 | 38.0° | 175.0° |
| O33 | C28 | C27 | H22 | 157.6° | 55.0° |
| O33 | C28 | C29 | H23 | 173.6° | 177.5° |
| C28 | O33 | C32 | H26 | 77.8° | 58.9° |
| C29 | C28 | C27 | H7 | 117.1° | 120.0° |
| C29 | C28 | C27 | O26 | 43.8° | 175.0° |
| C29 | C28 | C27 | H21 | 164.0° | 55.0° |
| C29 | C28 | C27 | H22 | 76.4° | 65.0° |
| C28 | C29 | C30 | H24 | 60.2° | 62.9° |
| C28 | C29 | O51 | H62 | 64.5° | 179.9° |
| C28 | C27 | O26 | H21 | 120.2° | 120.0° |
| C28 | C27 | O26 | H22 | 120.2° | 120.0° |
| C28 | C27 | O26 | C19 | 176.1° | 174.5° |
| C28 | C27 | H21 | H22 | 119.4° | 120.0° |
| C27 | C28 | C29 | H23 | 44.6° | 62.5° |
| C27 | O26 | C19 | C20 | 164.9° | 64.7° |
| C27 | O26 | C19 | C23 | 42.8° | 175.2° |
| C27 | O26 | C19 | O18 | 72.6° | 55.2° |
| O26 | C27 | C28 | H7 | 160.9° | 55.0° |
| O26 | C27 | H21 | H22 | 119.4° | 120.0° |
| O26 | C19 | C20 | C23 | 123.3° | 120.0° |
| O26 | C19 | C20 | O18 | 116.4° | 119.9° |
| O26 | C19 | C20 | C21 | 163.6° | 177.6° |
| O26 | C19 | C23 | O18 | 114.1° | 120.0° |
| O26 | C19 | C23 | O24 | 87.5° | 4.1° |
| O26 | C19 | C23 | O25 | 93.8° | 175.9° |
| O26 | C19 | O18 | C17 | 172.6° | 178.9° |
| O26 | C19 | C20 | H4 | 43.0° | 62.5° |
| O26 | C19 | C20 | H5 | 75.9° | 57.7° |
| C19 | O26 | C27 | H21 | 55.9° | 54.5° |
| C19 | O26 | C27 | H22 | 63.7° | 65.5° |
| C19 | C20 | C21 | H4 | 120.5° | 119.9° |
| C19 | C20 | C21 | H5 | 120.6° | 120.0° |
| C20 | C19 | C23 | O18 | 124.8° | 120.0° |
| C20 | C19 | C23 | O24 | 33.7° | 124.1° |
| C20 | C19 | C23 | O25 | 145.0° | 55.9° |
| C20 | C19 | O18 | C17 | 53.9° | 61.2° |
| C19 | C20 | C21 | O22 | 166.3° | 176.9° |
| C19 | C20 | C21 | C16 | 46.9° | 57.0° |
| C19 | C20 | H4 | H5 | 118.3° | 120.2° |
| C19 | C20 | C21 | H6 | 72.9° | 62.9° |
| C21 | C20 | C19 | C23 | 73.2° | 62.4° |
| C21 | C20 | C19 | O18 | 47.2° | 57.7° |
| C20 | C21 | O22 | C16 | 120.8° | 119.5° |
| C20 | C21 | O22 | H6 | 120.3° | 120.2° |
| C20 | C21 | C16 | H6 | 119.6° | 119.9° |
| C20 | C21 | C16 | C17 | 56.5° | 57.0° |
| C20 | C21 | C16 | N15 | 173.5° | 176.9° |
| C21 | C20 | H4 | H5 | 118.3° | 120.2° |
| C20 | C21 | C16 | H20 | 64.0° | 62.9° |
| C20 | C21 | O22 | H55 | 180.0° | 60.0° |
| C19 | C23 | O24 | O25 | 178.7° | 180.0° |
| C23 | C19 | O18 | C17 | 68.3° | 58.9° |
| C23 | C19 | C20 | H4 | 166.3° | 57.5° |
| C23 | C19 | C20 | H5 | 47.4° | 177.7° |
| C19 | C23 | O25 | H56 | 178.7° | 179.9° |
| O18 | C19 | C23 | O24 | 158.5° | 115.9° |
| O18 | C19 | C23 | O25 | 20.2° | 64.1° |
| C19 | O18 | C17 | C16 | 62.7° | 61.2° |
| C19 | O18 | C17 | C52 | 172.8° | 178.8° |
| C19 | O18 | C17 | H3 | 54.6° | 58.8° |
| O18 | C19 | C20 | H4 | 73.4° | 177.5° |
| O18 | C19 | C20 | H5 | 167.7° | 62.3° |
| O24 | C23 | O25 | H56 | 0.0° | 0.1° |
| O18 | C17 | C16 | C21 | 65.5° | 57.6° |
| O18 | C17 | C16 | C52 | 123.0° | 120.0° |
| O18 | C17 | C16 | H3 | 117.4° | 120.0° |
| O18 | C17 | C16 | N15 | 172.8° | 177.5° |
| O18 | C17 | C52 | H3 | 118.2° | 120.0° |
| O18 | C17 | C52 | O68 | 60.9° | 65.0° |
| O18 | C17 | C52 | C53 | 58.3° | 55.0° |
| O18 | C17 | C16 | H20 | 55.2° | 62.3° |
| O18 | C17 | C52 | H38 | 177.3° | 175.0° |
| O22 | C21 | C16 | H6 | 119.2° | 120.2° |
| O22 | C21 | C16 | C17 | 177.8° | 176.8° |
| O22 | C21 | C16 | N15 | 65.2° | 63.2° |
| O22 | C21 | C20 | H4 | 45.7° | 63.2° |
| O22 | C21 | C20 | H5 | 73.1° | 56.9° |
| O22 | C21 | C16 | H20 | 57.3° | 56.9° |
| C21 | C16 | C17 | N15 | 121.7° | 119.9° |
| C21 | C16 | C17 | H20 | 120.7° | 119.9° |
| C21 | C16 | N15 | H20 | 122.6° | 120.2° |
| C21 | C16 | C17 | C52 | 171.5° | 177.6° |
| C21 | C16 | N15 | C13 | 107.4° | 85.0° |
| C21 | C16 | C17 | H3 | 52.0° | 62.4° |
| C16 | C21 | C20 | H4 | 73.7° | 176.9° |
| C16 | C21 | C20 | H5 | 167.4° | 62.9° |
| C21 | C16 | N15 | H50 | 72.6° | 95.0° |
| C16 | C21 | O22 | H55 | 59.2° | 179.5° |
| C66 | C60 | C59 | C61 | 179.7° | 179.9° |
| C66 | C60 | C59 | C58 | 179.9° | 179.9° |
| C66 | C60 | C61 | O65 | 0.3° | 0.1° |
| C66 | C60 | C61 | C62 | 179.4° | 180.0° |
| C66 | C60 | C59 | H42 | 0.1° | 0.0° |
| C60 | C66 | H47 | H48 | 120.0° | 120.0° |
| C60 | C66 | H47 | H49 | 120.0° | 120.0° |
| C60 | C66 | H48 | H49 | 120.0° | 120.1° |
| C17 | C16 | N15 | H20 | 117.5° | 120.1° |
| C16 | C17 | C52 | H3 | 119.5° | 120.0° |
| C16 | C17 | C52 | O68 | 61.4° | 55.0° |
| C16 | C17 | C52 | C53 | 179.4° | 175.0° |
| C17 | C16 | N15 | C13 | 132.7° | 155.3° |
| C17 | C16 | C21 | H6 | 63.0° | 62.9° |
| C16 | C17 | C52 | H38 | 60.4° | 65.0° |
| C17 | C16 | N15 | H50 | 47.3° | 24.7° |
| N15 | C16 | C17 | C52 | 49.8° | 62.5° |
| C16 | N15 | C13 | O14 | 4.2° | 0.0° |
| C16 | N15 | C13 | H50 | 180.0° | 180.0° |
| C16 | N15 | C13 | C12 | 177.3° | 180.0° |
| N15 | C16 | C17 | H3 | 69.8° | 57.5° |
| N15 | C16 | C21 | H6 | 54.0° | 57.0° |
| C17 | C52 | O68 | C53 | 121.1° | 120.0° |
| C17 | C52 | O68 | H38 | 121.1° | 120.0° |
| C17 | C52 | C53 | H38 | 119.4° | 120.0° |
| C17 | C52 | C53 | O67 | 51.5° | 60.0° |
| C17 | C52 | C53 | C54 | 171.6° | 179.9° |
| C52 | C17 | C16 | H20 | 67.8° | 57.7° |
| C17 | C52 | C53 | H39 | 70.2° | 60.0° |
| C17 | C52 | O68 | H65 | 180.0° | 60.0° |
| O68 | C52 | C53 | H38 | 119.0° | 120.0° |
| O68 | C52 | C53 | O67 | 173.2° | 180.0° |
| O68 | C52 | C53 | C54 | 66.7° | 60.0° |
| O68 | C52 | C17 | H3 | 179.1° | 175.0° |
| O68 | C52 | C53 | H39 | 51.5° | 60.0° |
| O57 | C56 | C58 | C59 | 5.0° | 179.7° |
| O57 | C56 | C58 | N55 | 178.2° | 180.0° |
| O57 | C56 | C58 | C63 | 173.4° | 0.0° |
| O57 | C56 | N55 | C54 | 1.1° | 0.0° |
| O57 | C56 | N55 | H54 | 178.8° | 180.0° |
| C60 | C59 | C58 | H42 | 180.0° | 179.9° |
| C60 | C59 | C58 | C56 | 178.9° | 180.0° |
| C60 | C59 | C58 | C63 | 0.5° | 0.3° |
| C59 | C60 | C61 | O65 | 180.0° | 180.0° |
| C59 | C60 | C61 | C62 | 0.9° | 0.0° |
| C59 | C60 | C66 | H47 | 89.9° | 90.0° |
| C59 | C60 | C66 | H48 | 150.2° | 150.0° |
| C59 | C60 | C66 | H49 | 30.1° | 30.0° |
| C58 | C59 | C60 | C61 | 0.3° | 0.0° |
| C59 | C58 | C56 | C63 | 178.4° | 179.7° |
| C59 | C58 | C56 | N55 | 176.8° | 0.3° |
| C59 | C58 | C63 | C62 | 0.9° | 0.6° |
| C59 | C58 | C63 | H43 | 179.1° | 179.7° |
| C60 | C61 | O65 | C62 | 179.1° | 179.9° |
| C60 | C61 | C62 | C63 | 0.6° | 0.2° |
| C60 | C61 | C62 | C64 | 179.2° | 180.0° |
| C61 | C60 | C59 | H42 | 179.7° | 179.9° |
| C61 | C60 | C66 | H47 | 89.8° | 90.1° |
| C61 | C60 | C66 | H48 | 30.2° | 29.9° |
| C61 | C60 | C66 | H49 | 150.2° | 150.0° |
| C60 | C61 | O65 | H63 | 180.0° | 89.9° |
| C52 | C53 | O67 | C54 | 119.6° | 120.0° |
| C52 | C53 | O67 | H39 | 120.5° | 120.0° |
| C52 | C53 | C54 | H39 | 117.9° | 120.0° |
| C52 | C53 | C54 | N55 | 178.9° | 175.0° |
| C53 | C52 | C17 | H3 | 59.9° | 65.0° |
| C52 | C53 | C54 | H40 | 61.3° | 55.0° |
| C52 | C53 | C54 | H41 | 59.2° | 65.0° |
| C52 | C53 | O67 | H64 | 180.0° | 60.0° |
| C53 | C52 | O68 | H65 | 59.0° | 180.0° |
| O67 | C53 | C54 | H39 | 120.8° | 120.0° |
| O67 | C53 | C54 | N55 | 57.6° | 64.9° |
| O67 | C53 | C52 | H38 | 67.9° | 60.0° |
| O67 | C53 | C54 | H40 | 177.3° | 175.0° |
| O67 | C53 | C54 | H41 | 62.2° | 55.0° |
| C53 | C54 | N55 | C56 | 89.0° | 180.0° |
| C53 | C54 | N55 | H40 | 119.7° | 120.1° |
| C53 | C54 | N55 | H41 | 119.7° | 119.9° |
| C54 | C53 | C52 | H38 | 52.3° | 60.0° |
| C53 | C54 | H40 | H41 | 120.7° | 120.0° |
| C53 | C54 | N55 | H54 | 91.0° | 0.1° |
| C54 | C53 | O67 | H64 | 60.3° | 60.0° |
| O14 | C13 | N15 | C12 | 178.5° | 179.9° |
| O14 | C13 | C12 | N01 | 57.2° | 0.0° |
| O14 | C13 | C12 | H18 | 177.6° | 120.0° |
| O14 | C13 | C12 | H19 | 63.3° | 120.0° |
| O14 | C13 | N15 | H50 | 175.8° | 180.0° |
| N15 | C13 | C12 | N01 | 121.3° | 180.0° |
| N15 | C13 | C12 | H18 | 0.8° | 60.0° |
| N15 | C13 | C12 | H19 | 118.3° | 60.0° |
| C13 | N15 | C16 | H20 | 15.2° | 35.1° |
| C58 | C56 | N55 | C54 | 179.3° | 180.0° |
| C56 | C58 | C63 | C62 | 179.2° | 179.7° |
| C56 | C58 | C59 | H42 | 1.1° | 0.1° |
| C56 | C58 | C63 | H43 | 0.8° | 0.1° |
| C58 | C56 | N55 | H54 | 0.7° | 0.0° |
| N55 | C56 | C58 | C63 | 4.8° | 180.0° |
| C56 | N55 | C54 | H54 | 180.0° | 179.9° |
| C56 | N55 | C54 | H40 | 30.8° | 60.0° |
| C56 | N55 | C54 | H41 | 151.3° | 60.0° |
| C58 | C63 | C62 | C61 | 0.3° | 0.5° |
| C58 | C63 | C62 | H43 | 180.0° | 179.8° |
| C58 | C63 | C62 | C64 | 180.0° | 179.7° |
| C63 | C58 | C59 | H42 | 179.5° | 179.8° |
| O65 | C61 | C62 | C63 | 179.7° | 179.7° |
| O65 | C61 | C62 | C64 | 0.0° | 0.0° |
| C61 | C62 | C63 | C64 | 179.7° | 179.7° |
| C61 | C62 | C63 | H43 | 179.7° | 179.7° |
| C61 | C62 | C64 | H44 | 90.1° | 90.0° |
| C61 | C62 | C64 | H45 | 149.9° | 150.0° |
| C61 | C62 | C64 | H46 | 29.9° | 30.0° |
| C62 | C61 | O65 | H63 | 0.8° | 90.0° |
| C13 | C12 | N01 | N05 | 64.5° | 54.9° |
| C13 | C12 | N01 | H18 | 120.5° | 120.0° |
| C13 | C12 | N01 | H19 | 120.5° | 120.0° |
| C13 | C12 | N01 | C02 | 116.1° | 125.0° |
| C13 | C12 | H18 | H19 | 118.6° | 120.0° |
| C12 | C13 | N15 | H50 | 2.7° | 0.0° |
| N55 | C54 | C53 | H39 | 63.2° | 55.1° |
| N55 | C54 | H40 | H41 | 120.7° | 120.0° |
| C63 | C62 | C64 | H44 | 90.1° | 89.7° |
| C63 | C62 | C64 | H45 | 29.9° | 30.3° |
| C63 | C62 | C64 | H46 | 149.9° | 150.2° |
| C64 | C62 | C63 | H43 | 0.1° | 0.0° |
| C62 | C64 | H44 | H45 | 120.0° | 120.0° |
| C62 | C64 | H44 | H46 | 120.0° | 120.0° |
| C62 | C64 | H45 | H46 | 120.0° | 120.0° |
| N05 | N01 | C12 | C02 | 179.5° | 179.9° |
| N01 | N05 | N04 | C03 | 0.9° | 0.0° |
| N05 | N01 | C02 | C03 | 0.2° | 0.2° |
| N05 | N01 | C02 | H8 | 179.7° | 180.0° |
| N05 | N01 | C12 | H18 | 56.0° | 174.9° |
| N05 | N01 | C12 | H19 | 175.0° | 65.1° |
| N04 | N05 | N01 | C12 | 179.1° | 179.9° |
| N04 | N05 | N01 | C02 | 0.4° | 0.2° |
| N05 | N04 | C03 | C02 | 1.1° | 0.1° |
| N05 | N04 | C03 | C06 | 179.7° | 179.8° |
| C12 | N01 | C02 | C03 | 179.8° | 179.8° |
| C12 | N01 | C02 | H8 | 0.2° | 0.0° |
| N01 | C12 | H18 | H19 | 118.6° | 120.0° |
| N01 | C02 | C03 | N04 | 0.8° | 0.2° |
| N01 | C02 | C03 | H8 | 180.0° | 179.8° |
| N01 | C02 | C03 | C06 | 180.0° | 179.7° |
| C02 | N01 | C12 | H18 | 123.5° | 5.0° |
| C02 | N01 | C12 | H19 | 4.4° | 115.0° |
| N04 | C03 | C02 | C06 | 179.1° | 179.9° |
| N04 | C03 | C06 | C11 | 173.6° | 94.9° |
| N04 | C03 | C06 | C07 | 51.9° | 145.0° |
| N04 | C03 | C02 | H8 | 179.1° | 180.0° |
| N04 | C03 | C06 | H9 | 66.9° | 25.1° |
| C02 | C03 | C06 | C11 | 5.4° | 85.0° |
| C02 | C03 | C06 | C07 | 127.1° | 35.1° |
| C02 | C03 | C06 | H9 | 114.1° | 155.0° |
| C03 | C06 | C11 | C07 | 117.7° | 120.0° |
| C03 | C06 | C11 | H9 | 119.3° | 120.0° |
| C03 | C06 | C07 | H9 | 118.8° | 119.9° |
| C03 | C06 | C11 | C10 | 171.4° | 180.0° |
| C03 | C06 | C07 | C08 | 170.0° | 180.0° |
| C06 | C03 | C02 | H8 | 0.0° | 0.1° |
| C03 | C06 | C07 | H10 | 69.2° | 60.0° |
| C03 | C06 | C07 | H11 | 49.1° | 60.0° |
| C03 | C06 | C11 | H16 | 51.3° | 60.0° |
| C03 | C06 | C11 | H17 | 68.6° | 60.1° |
| C11 | C06 | C07 | H9 | 123.1° | 120.1° |
| C06 | C11 | C10 | H16 | 120.0° | 120.0° |
| C06 | C11 | C10 | H17 | 120.0° | 120.0° |
| C11 | C06 | C07 | C08 | 51.9° | 60.0° |
| C06 | C11 | C10 | C09 | 52.9° | 60.0° |
| C06 | C11 | C10 | H1 | 173.7° | 60.0° |
| C06 | C11 | C10 | H2 | 67.9° | 180.0° |
| C11 | C06 | C07 | H10 | 172.8° | 180.0° |
| C11 | C06 | C07 | H11 | 68.9° | 60.0° |
| C06 | C11 | H16 | H17 | 120.0° | 120.1° |
| C07 | C06 | C11 | C10 | 53.7° | 60.0° |
| C06 | C07 | C08 | H10 | 120.8° | 120.0° |
| C06 | C07 | C08 | H11 | 120.9° | 120.0° |
| C06 | C07 | C08 | C09 | 45.1° | 60.0° |
| C06 | C07 | H10 | H11 | 117.4° | 120.0° |
| C06 | C07 | C08 | H12 | 75.3° | 60.0° |
| C06 | C07 | C08 | H13 | 165.5° | 180.0° |
| C07 | C06 | C11 | H16 | 66.4° | 180.0° |
| C07 | C06 | C11 | H17 | 173.7° | 60.0° |
| C11 | C10 | C09 | H1 | 120.8° | 120.0° |
| C11 | C10 | C09 | H2 | 120.8° | 120.0° |
| C11 | C10 | C09 | C08 | 48.8° | 60.0° |
| C11 | C10 | H1 | H2 | 117.6° | 120.0° |
| C10 | C11 | C06 | H9 | 69.3° | 60.0° |
| C11 | C10 | C09 | H14 | 71.9° | 60.1° |
| C11 | C10 | C09 | H15 | 169.5° | 180.0° |
| C10 | C11 | H16 | H17 | 119.9° | 119.9° |
| C07 | C08 | C09 | C10 | 43.0° | 60.0° |
| C07 | C08 | C09 | H12 | 120.4° | 119.9° |
| C07 | C08 | C09 | H13 | 120.4° | 120.0° |
| C08 | C07 | C06 | H9 | 71.2° | 60.1° |
| C08 | C07 | H10 | H11 | 117.4° | 120.0° |
| C07 | C08 | H12 | H13 | 118.8° | 119.9° |
| C07 | C08 | C09 | H14 | 77.7° | 60.0° |
| C07 | C08 | C09 | H15 | 163.7° | 180.0° |
| C10 | C09 | C08 | H14 | 120.7° | 120.0° |
| C10 | C09 | C08 | H15 | 120.7° | 120.0° |
| C09 | C10 | H1 | H2 | 117.6° | 120.0° |
| C10 | C09 | C08 | H12 | 77.4° | 59.9° |
| C10 | C09 | C08 | H13 | 163.4° | 180.0° |
| C10 | C09 | H14 | H15 | 117.9° | 119.9° |
| C09 | C10 | C11 | H16 | 67.1° | 180.0° |
| C09 | C10 | C11 | H17 | 172.9° | 60.0° |
| C08 | C09 | C10 | H1 | 169.6° | 60.0° |
| C08 | C09 | C10 | H2 | 72.0° | 180.0° |
| C09 | C08 | C07 | H10 | 165.9° | 180.0° |
| C09 | C08 | C07 | H11 | 75.7° | 60.0° |
| C09 | C08 | H12 | H13 | 118.8° | 120.1° |
| C08 | C09 | H14 | H15 | 117.8° | 120.0° |
| H1 | C10 | C09 | H14 | 48.9° | 179.9° |
| H1 | C10 | C09 | H15 | 69.7° | 60.0° |
| H1 | C10 | C11 | H16 | 53.7° | 60.0° |
| H1 | C10 | C11 | H17 | 66.3° | 180.0° |
| H2 | C10 | C09 | H14 | 167.4° | 60.0° |
| H2 | C10 | C09 | H15 | 48.7° | 60.0° |
| H2 | C10 | C11 | H16 | 172.1° | 60.0° |
| H2 | C10 | C11 | H17 | 52.2° | 60.0° |
| H3 | C17 | C16 | H20 | 172.7° | 177.6° |
| H3 | C17 | C52 | H38 | 59.1° | 55.0° |
| H4 | C20 | C21 | H6 | 166.6° | 57.0° |
| H5 | C20 | C21 | H6 | 47.7° | 177.1° |
| H6 | C21 | C16 | H20 | 176.5° | 177.2° |
| H6 | C21 | O22 | H55 | 59.6° | 60.2° |
| H7 | C28 | C27 | H21 | 78.9° | 65.0° |
| H7 | C28 | C27 | H22 | 40.7° | 175.0° |
| H7 | C28 | C29 | H23 | 72.3° | 57.6° |
| H9 | C06 | C07 | H10 | 49.6° | 60.0° |
| H9 | C06 | C07 | H11 | 168.0° | 179.9° |
| H9 | C06 | C11 | H16 | 170.6° | 59.9° |
| H9 | C06 | C11 | H17 | 50.7° | 180.0° |
| H10 | C07 | C08 | H12 | 45.5° | 60.0° |
| H10 | C07 | C08 | H13 | 73.7° | 59.9° |
| H11 | C07 | C08 | H12 | 163.9° | 180.0° |
| H11 | C07 | C08 | H13 | 44.6° | 60.1° |
| H12 | C08 | C09 | H14 | 161.9° | 179.9° |
| H12 | C08 | C09 | H15 | 43.3° | 60.0° |
| H13 | C08 | C09 | H14 | 42.7° | 60.0° |
| H13 | C08 | C09 | H15 | 75.9° | 60.0° |
| H20 | C16 | N15 | H50 | 164.8° | 144.9° |
| H23 | C29 | C30 | H24 | 57.1° | 57.1° |
| H23 | C29 | O51 | H62 | 59.7° | 59.8° |
| H24 | C30 | C31 | H25 | 161.9° | 177.2° |
| H24 | C30 | O50 | H61 | 64.0° | 59.8° |
| H25 | C31 | C32 | H26 | 148.7° | 177.8° |
| H25 | C31 | O49 | H60 | 60.2° | 60.3° |
| H27 | C35 | C36 | H28 | 158.0° | 177.0° |
| H27 | C35 | C40 | H31 | 116.8° | 177.6° |
| H28 | C36 | C37 | H29 | 177.8° | 177.2° |
| H28 | C36 | O48 | H59 | 60.7° | 59.8° |
| H29 | C37 | C38 | H30 | 146.7° | 177.7° |
| H29 | C37 | O47 | H58 | 57.0° | 59.8° |
| H31 | C40 | C41 | H32 | 120.1° | 65.0° |
| H31 | C40 | C41 | H33 | 1.4° | 175.0° |
| H32 | C41 | O42 | H57 | 59.3° | 60.0° |
| H33 | C41 | O42 | H57 | 59.4° | 60.0° |
| H34 | C44 | C45 | H36 | 23.0° | 55.0° |
| H34 | C44 | C45 | H37 | 95.6° | 65.0° |
| H35 | C44 | C45 | H36 | 95.6° | 64.9° |
| H35 | C44 | C45 | H37 | 145.8° | 175.0° |
| H36 | C45 | N46 | H51 | 59.3° | 60.0° |
| H36 | C45 | N46 | H52 | 179.3° | 176.1° |
| H37 | C45 | N46 | H51 | 59.3° | 60.0° |
| H37 | C45 | N46 | H52 | 60.7° | 63.9° |
| H38 | C52 | C53 | H39 | 170.4° | 180.0° |
| H38 | C52 | O68 | H65 | 58.9° | 60.0° |
| H39 | C53 | C54 | H40 | 56.6° | 65.0° |
| H39 | C53 | C54 | H41 | 177.1° | 175.0° |
| H39 | C53 | O67 | H64 | 59.5° | 180.0° |
| H40 | C54 | N55 | H54 | 149.3° | 120.0° |
| H41 | C54 | N55 | H54 | 28.8° | 120.0° |
| H44 | C64 | H45 | H46 | 120.0° | 120.0° |
| H47 | C66 | H48 | H49 | 120.0° | 120.0° |
