9F0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C59 | N46 | sing | 1.52Å | 1.50Å | |
| C59 | C58 | sing | 1.52Å | 1.55Å | |
| C61 | N46 | sing | 1.52Å | 1.51Å | |
| C61 | C60 | sing | 1.52Å | 1.55Å | |
| N46 | PT1 | sing | 2.17Å | 2.00Å | |
| C58 | N48 | sing | 1.54Å | 1.54Å | |
| C60 | N47 | sing | 1.52Å | 1.54Å | |
| C54 | C55 | sing | 1.52Å | 1.56Å | |
| C54 | N44 | sing | 1.54Å | 1.54Å | |
| N48 | PT1 | sing | 2.13Å | 2.05Å | |
| PT1 | N47 | sing | 2.13Å | 2.05Å | |
| PT1 | N30 | sing | 2.09Å | 2.05Å | |
| C55 | N45 | sing | 1.52Å | 1.52Å | |
| N44 | PT3 | sing | 2.13Å | 2.04Å | |
| N45 | PT3 | sing | 2.17Å | 2.00Å | |
| N45 | C56 | sing | 1.52Å | 1.51Å | |
| C31 | N30 | doub | 1.32Å | 1.37Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| N30 | C29 | sing | 1.32Å | 1.37Å | Aromatic |
| C32 | C22 | doub | 1.40Å | 1.39Å | Aromatic |
| PT3 | N43 | sing | 2.13Å | 2.05Å | |
| PT3 | N25 | sing | 2.09Å | 2.05Å | |
| C56 | C57 | sing | 1.52Å | 1.55Å | |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | N25 | sing | 1.32Å | 1.37Å | Aromatic |
| C57 | N43 | sing | 1.52Å | 1.54Å | |
| C27 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| N25 | C24 | doub | 1.32Å | 1.37Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C28 | sing | 1.40Å | 1.39Å | Aromatic |
| C22 | C12 | sing | 1.48Å | 1.49Å | |
| C13 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C7 | sing | 1.48Å | 1.50Å | |
| C20 | C23 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | N1 | sing | 1.40Å | 1.44Å | |
| C8 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | N1 | sing | 1.40Å | 1.44Å | |
| N1 | C2 | sing | 1.40Å | 1.44Å | |
| C2 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C21 | sing | 1.48Å | 1.49Å | |
| C21 | C33 | doub | 1.40Å | 1.39Å | Aromatic |
| C21 | C37 | sing | 1.40Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | N35 | doub | 1.32Å | 1.37Å | Aromatic |
| C36 | N35 | sing | 1.32Å | 1.37Å | Aromatic |
| N35 | PT2 | sing | 2.09Å | 2.05Å | |
| N41 | PT2 | sing | 2.13Å | 2.05Å | |
| N41 | C50 | sing | 1.52Å | 1.54Å | |
| PT2 | N42 | sing | 2.13Å | 2.05Å | |
| PT2 | N49 | sing | 2.17Å | 2.00Å | |
| N42 | C53 | sing | 1.52Å | 1.54Å | |
| C50 | C51 | sing | 1.53Å | 1.55Å | |
| C53 | C52 | sing | 1.53Å | 1.55Å | |
| N49 | C51 | sing | 1.51Å | 1.51Å | |
| N49 | C52 | sing | 1.51Å | 1.50Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| N41 | H9X | sing | 1.01Å | 1.00Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| C50 | H9L | sing | 1.09Å | 1.10Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C51 | H9M | sing | 1.09Å | 1.10Å | |
| C52 | H9N | sing | 1.09Å | 1.10Å | |
| C52 | H52 | sing | 1.09Å | 1.10Å | |
| C53 | H9O | sing | 1.09Å | 1.10Å | |
| C53 | H53 | sing | 1.09Å | 1.10Å | |
| N42 | H9Y | sing | 1.01Å | 1.00Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| N47 | H91 | sing | 1.01Å | 1.00Å | |
| C60 | H9V | sing | 1.09Å | 1.10Å | |
| C60 | H60 | sing | 1.09Å | 1.10Å | |
| C61 | H9W | sing | 1.09Å | 1.10Å | |
| C61 | H61 | sing | 1.09Å | 1.10Å | |
| C59 | H59 | sing | 1.09Å | 1.10Å | |
| C59 | H9U | sing | 1.09Å | 1.10Å | |
| C58 | H58 | sing | 1.09Å | 1.10Å | |
| C58 | H9T | sing | 1.09Å | 1.10Å | |
| N48 | H48 | sing | 1.01Å | 1.00Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| N43 | H43 | sing | 1.01Å | 1.00Å | |
| C57 | H9S | sing | 1.09Å | 1.10Å | |
| C57 | H57 | sing | 1.09Å | 1.10Å | |
| C56 | H9R | sing | 1.09Å | 1.10Å | |
| C56 | H56 | sing | 1.09Å | 1.10Å | |
| C55 | H9Q | sing | 1.09Å | 1.10Å | |
| C55 | H55 | sing | 1.09Å | 1.10Å | |
| C54 | H54 | sing | 1.09Å | 1.10Å | |
| C54 | H9P | sing | 1.09Å | 1.10Å | |
| N44 | H44 | sing | 1.01Å | 1.00Å | |
| N41 | H41 | sing | 1.01Å | 1.00Å | |
| N42 | H42 | sing | 1.01Å | 1.00Å | |
| N43 | H9Z | sing | 1.01Å | 1.00Å | |
| N44 | H90 | sing | 1.01Å | 1.00Å | |
| N45 | H45 | sing | 1.01Å | 1.00Å | |
| N46 | H46 | sing | 1.01Å | 1.00Å | |
| N47 | H47 | sing | 1.01Å | 1.00Å | |
| N48 | H92 | sing | 1.01Å | 1.00Å | |
| N49 | H49 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N46 | C59 | C58 | 110.0° | 118.5° |
| C59 | N46 | C61 | 118.8° | 102.3° |
| C59 | N46 | PT1 | 103.9° | 96.0° |
| N46 | C59 | H59 | 109.3° | 107.6° |
| N46 | C59 | H9U | 109.4° | 107.6° |
| C59 | N46 | H46 | 111.4° | 119.3° |
| C59 | C58 | N48 | 111.1° | 116.1° |
| C58 | C59 | H59 | 109.3° | 107.6° |
| C58 | C59 | H9U | 109.3° | 107.6° |
| C59 | C58 | H58 | 109.1° | 108.2° |
| C59 | C58 | H9T | 109.0° | 108.2° |
| N46 | C61 | C60 | 109.5° | 118.5° |
| C61 | N46 | PT1 | 103.9° | 96.0° |
| N46 | C61 | H9W | 109.4° | 107.6° |
| N46 | C61 | H61 | 109.5° | 107.6° |
| C61 | N46 | H46 | 111.4° | 118.9° |
| C61 | C60 | N47 | 110.9° | 115.8° |
| C61 | C60 | H9V | 109.1° | 108.2° |
| C61 | C60 | H60 | 109.1° | 108.1° |
| C60 | C61 | H9W | 109.5° | 107.6° |
| C60 | C61 | H61 | 109.4° | 107.7° |
| N46 | PT1 | N48 | 89.5° | 95.3° |
| N46 | PT1 | N47 | 89.4° | 94.7° |
| N46 | PT1 | N30 | 179.9° | 119.5° |
| PT1 | N46 | H46 | 105.9° | 119.6° |
| C58 | N48 | PT1 | 105.5° | 94.6° |
| N48 | C58 | H58 | 109.0° | 107.8° |
| N48 | C58 | H9T | 109.1° | 108.3° |
| C58 | N48 | H48 | 110.4° | 112.1° |
| C58 | N48 | H92 | 110.5° | 112.1° |
| C60 | N47 | PT1 | 105.5° | 95.3° |
| C60 | N47 | H91 | 110.5° | 112.1° |
| N47 | C60 | H9V | 109.1° | 108.2° |
| N47 | C60 | H60 | 109.1° | 108.2° |
| C60 | N47 | H47 | 110.4° | 112.2° |
| C55 | C54 | N44 | 110.7° | 116.1° |
| C54 | C55 | N45 | 104.8° | 118.5° |
| C54 | C55 | H9Q | 110.6° | 107.6° |
| C54 | C55 | H55 | 110.6° | 107.7° |
| C55 | C54 | H54 | 109.1° | 108.2° |
| C55 | C54 | H9P | 109.2° | 108.2° |
| C54 | N44 | PT3 | 104.2° | 94.7° |
| N44 | C54 | H54 | 109.1° | 107.8° |
| N44 | C54 | H9P | 109.1° | 108.2° |
| C54 | N44 | H44 | 110.8° | 112.2° |
| C54 | N44 | H90 | 110.8° | 112.2° |
| N48 | PT1 | N47 | 178.9° | 107.3° |
| N48 | PT1 | N30 | 90.5° | 117.9° |
| PT1 | N48 | H48 | 110.5° | 112.1° |
| PT1 | N48 | H92 | 110.5° | 112.9° |
| N47 | PT1 | N30 | 90.6° | 117.8° |
| PT1 | N47 | H91 | 110.5° | 112.2° |
| PT1 | N47 | H47 | 110.5° | 112.1° |
| PT1 | N30 | C31 | 119.7° | 119.0° |
| PT1 | N30 | C29 | 119.7° | 119.0° |
| C55 | N45 | PT3 | 104.3° | 96.0° |
| C55 | N45 | C56 | 118.8° | 102.3° |
| N45 | C55 | H9Q | 110.6° | 107.6° |
| N45 | C55 | H55 | 110.6° | 107.6° |
| C55 | N45 | H45 | 111.2° | 119.3° |
| N44 | PT3 | N45 | 89.0° | 95.3° |
| N44 | PT3 | N43 | 178.5° | 107.3° |
| N44 | PT3 | N25 | 91.0° | 117.9° |
| PT3 | N44 | H44 | 110.7° | 112.0° |
| PT3 | N44 | H90 | 110.8° | 112.9° |
| PT3 | N45 | C56 | 103.9° | 96.0° |
| N45 | PT3 | N43 | 89.5° | 94.6° |
| N45 | PT3 | N25 | 179.9° | 119.5° |
| PT3 | N45 | H45 | 105.9° | 119.6° |
| N45 | C56 | C57 | 109.5° | 118.5° |
| N45 | C56 | H9R | 109.5° | 107.6° |
| N45 | C56 | H56 | 109.5° | 107.6° |
| C56 | N45 | H45 | 111.4° | 118.9° |
| N30 | C31 | C32 | 120.2° | 120.9° |
| C31 | N30 | C29 | 120.6° | 122.0° |
| N30 | C31 | H31 | 119.9° | 119.5° |
| C31 | C32 | C22 | 119.8° | 119.0° |
| C31 | C32 | H32 | 120.1° | 120.6° |
| C32 | C31 | H31 | 119.9° | 119.5° |
| N30 | C29 | C28 | 120.2° | 120.9° |
| N30 | C29 | H29 | 119.9° | 119.6° |
| C32 | C22 | C28 | 119.5° | 118.1° |
| C32 | C22 | C12 | 120.2° | 120.9° |
| C22 | C32 | H32 | 120.1° | 120.5° |
| N43 | PT3 | N25 | 90.5° | 117.9° |
| PT3 | N43 | C57 | 105.4° | 95.3° |
| PT3 | N43 | H43 | 110.5° | 112.2° |
| PT3 | N43 | H9Z | 110.5° | 112.2° |
| PT3 | N25 | C26 | 119.7° | 119.0° |
| PT3 | N25 | C24 | 119.8° | 119.0° |
| C56 | C57 | N43 | 111.0° | 115.8° |
| C56 | C57 | H9S | 109.1° | 108.2° |
| C56 | C57 | H57 | 109.1° | 108.1° |
| C57 | C56 | H9R | 109.5° | 107.7° |
| C57 | C56 | H56 | 109.4° | 107.6° |
| C27 | C26 | N25 | 120.3° | 120.9° |
| C26 | C27 | C20 | 119.8° | 119.0° |
| C26 | C27 | H27 | 120.1° | 120.5° |
| C27 | C26 | H26 | 119.8° | 119.5° |
| C26 | N25 | C24 | 120.5° | 122.0° |
| N25 | C26 | H26 | 119.9° | 119.6° |
| C57 | N43 | H43 | 110.5° | 112.1° |
| N43 | C57 | H9S | 109.1° | 108.3° |
| N43 | C57 | H57 | 109.1° | 108.2° |
| C57 | N43 | H9Z | 110.5° | 112.2° |
| C27 | C20 | C7 | 120.3° | 120.9° |
| C27 | C20 | C23 | 119.3° | 118.1° |
| C20 | C27 | H27 | 120.1° | 120.5° |
| N25 | C24 | C23 | 120.3° | 120.9° |
| N25 | C24 | H24 | 119.9° | 119.5° |
| C29 | C28 | C22 | 119.8° | 119.0° |
| C29 | C28 | H28 | 120.1° | 120.5° |
| C28 | C29 | H29 | 119.9° | 119.5° |
| C28 | C22 | C12 | 120.4° | 121.0° |
| C22 | C28 | H28 | 120.1° | 120.5° |
| C22 | C12 | C13 | 120.2° | 120.0° |
| C22 | C12 | C11 | 119.8° | 120.1° |
| C12 | C13 | C14 | 120.0° | 119.9° |
| C13 | C12 | C11 | 120.0° | 119.9° |
| C12 | C13 | H13 | 120.0° | 120.1° |
| C13 | C14 | C4 | 119.9° | 120.1° |
| C13 | C14 | H14 | 120.1° | 119.9° |
| C14 | C13 | H13 | 120.0° | 120.0° |
| C7 | C20 | C23 | 120.4° | 120.9° |
| C20 | C7 | C6 | 119.8° | 120.1° |
| C20 | C7 | C8 | 120.4° | 120.1° |
| C20 | C23 | C24 | 119.8° | 119.1° |
| C20 | C23 | H23 | 120.1° | 120.5° |
| C12 | C11 | C10 | 120.1° | 119.9° |
| C12 | C11 | H11 | 120.0° | 120.0° |
| C24 | C23 | H23 | 120.1° | 120.5° |
| C23 | C24 | H24 | 119.9° | 119.6° |
| C7 | C6 | C5 | 120.2° | 120.0° |
| C6 | C7 | C8 | 119.8° | 119.9° |
| C7 | C6 | H6 | 119.9° | 120.0° |
| C6 | C5 | C3 | 120.2° | 120.1° |
| C6 | C5 | H5 | 119.9° | 120.0° |
| C5 | C6 | H6 | 119.9° | 120.0° |
| C7 | C8 | C9 | 120.0° | 120.0° |
| C7 | C8 | H8 | 120.0° | 120.0° |
| C14 | C4 | C10 | 119.9° | 120.0° |
| C14 | C4 | N1 | 120.4° | 120.0° |
| C4 | C14 | H14 | 120.0° | 119.9° |
| C5 | C3 | C9 | 119.8° | 120.1° |
| C5 | C3 | N1 | 119.8° | 119.9° |
| C3 | C5 | H5 | 119.9° | 120.0° |
| C11 | C10 | C4 | 120.1° | 120.1° |
| C11 | C10 | H10 | 119.9° | 120.0° |
| C10 | C11 | H11 | 120.0° | 120.0° |
| C10 | C4 | N1 | 119.7° | 120.0° |
| C4 | C10 | H10 | 119.9° | 119.9° |
| C4 | N1 | C3 | 120.1° | 120.0° |
| C4 | N1 | C2 | 119.8° | 120.0° |
| C8 | C9 | C3 | 120.0° | 120.0° |
| C9 | C8 | H8 | 120.0° | 120.1° |
| C8 | C9 | H9 | 120.0° | 119.9° |
| C9 | C3 | N1 | 120.4° | 119.9° |
| C3 | C9 | H9 | 120.0° | 120.0° |
| C3 | N1 | C2 | 120.0° | 120.0° |
| N1 | C2 | C19 | 120.4° | 120.0° |
| N1 | C2 | C15 | 119.8° | 120.0° |
| C19 | C2 | C15 | 119.9° | 120.0° |
| C2 | C19 | C18 | 120.0° | 120.1° |
| C2 | C19 | H19 | 120.0° | 120.0° |
| C2 | C15 | C16 | 120.2° | 120.1° |
| C2 | C15 | H15 | 119.9° | 119.9° |
| C19 | C18 | C17 | 120.0° | 119.9° |
| C19 | C18 | H18 | 120.0° | 120.1° |
| C18 | C19 | H19 | 120.0° | 119.9° |
| C15 | C16 | C17 | 120.1° | 120.0° |
| C15 | C16 | H16 | 119.9° | 120.0° |
| C16 | C15 | H15 | 119.9° | 120.0° |
| C18 | C17 | C16 | 119.9° | 119.9° |
| C18 | C17 | C21 | 120.2° | 120.0° |
| C17 | C18 | H18 | 120.0° | 120.0° |
| C16 | C17 | C21 | 119.8° | 120.1° |
| C17 | C16 | H16 | 120.0° | 120.0° |
| C17 | C21 | C33 | 120.3° | 120.9° |
| C17 | C21 | C37 | 120.2° | 120.9° |
| C33 | C21 | C37 | 119.5° | 118.2° |
| C21 | C33 | C34 | 119.7° | 119.0° |
| C21 | C33 | H33 | 120.2° | 120.5° |
| C21 | C37 | C36 | 119.7° | 119.0° |
| C21 | C37 | H37 | 120.1° | 120.5° |
| C33 | C34 | N35 | 120.2° | 120.9° |
| C33 | C34 | H34 | 119.9° | 119.6° |
| C34 | C33 | H33 | 120.1° | 120.5° |
| C37 | C36 | N35 | 120.3° | 120.9° |
| C37 | C36 | H36 | 119.9° | 119.5° |
| C36 | C37 | H37 | 120.1° | 120.5° |
| C34 | N35 | C36 | 120.6° | 122.0° |
| C34 | N35 | PT2 | 119.6° | 119.0° |
| N35 | C34 | H34 | 119.9° | 119.5° |
| C36 | N35 | PT2 | 119.8° | 119.0° |
| N35 | C36 | H36 | 119.9° | 119.6° |
| N35 | PT2 | N41 | 90.5° | 118.3° |
| N35 | PT2 | N42 | 90.6° | 118.3° |
| N35 | PT2 | N49 | 179.9° | 120.4° |
| PT2 | N41 | C50 | 105.5° | 95.5° |
| N41 | PT2 | N42 | 178.9° | 106.2° |
| N41 | PT2 | N49 | 89.4° | 94.4° |
| PT2 | N41 | H9X | 110.4° | 112.1° |
| PT2 | N41 | H41 | 110.5° | 112.1° |
| N41 | C50 | C51 | 111.0° | 115.3° |
| C50 | N41 | H9X | 110.5° | 112.1° |
| N41 | C50 | H50 | 109.1° | 108.3° |
| N41 | C50 | H9L | 109.1° | 108.3° |
| C50 | N41 | H41 | 110.5° | 112.1° |
| N42 | PT2 | N49 | 89.5° | 94.4° |
| PT2 | N42 | C53 | 105.5° | 95.5° |
| PT2 | N42 | H9Y | 110.4° | 112.1° |
| PT2 | N42 | H42 | 110.4° | 112.2° |
| PT2 | N49 | C51 | 103.9° | 95.8° |
| PT2 | N49 | C52 | 104.0° | 95.8° |
| PT2 | N49 | H49 | 105.9° | 119.8° |
| N42 | C53 | C52 | 111.2° | 115.3° |
| N42 | C53 | H9O | 109.1° | 108.3° |
| N42 | C53 | H53 | 109.0° | 108.3° |
| C53 | N42 | H9Y | 110.5° | 112.1° |
| C53 | N42 | H42 | 110.4° | 112.1° |
| C50 | C51 | N49 | 109.6° | 117.4° |
| C51 | C50 | H50 | 109.1° | 108.3° |
| C51 | C50 | H9L | 109.1° | 108.3° |
| C50 | C51 | H51 | 109.4° | 107.9° |
| C50 | C51 | H9M | 109.5° | 107.9° |
| C53 | C52 | N49 | 110.0° | 117.5° |
| C53 | C52 | H9N | 109.4° | 107.9° |
| C53 | C52 | H52 | 109.3° | 107.8° |
| C52 | C53 | H9O | 109.0° | 108.3° |
| C52 | C53 | H53 | 109.0° | 108.3° |
| C51 | N49 | C52 | 118.8° | 106.0° |
| N49 | C51 | H51 | 109.4° | 107.8° |
| N49 | C51 | H9M | 109.4° | 107.8° |
| C51 | N49 | H49 | 111.4° | 117.8° |
| N49 | C52 | H9N | 109.4° | 107.9° |
| N49 | C52 | H52 | 109.4° | 107.9° |
| C52 | N49 | H49 | 111.4° | 117.6° |
| H9X | N41 | H41 | 109.4° | 111.9° |
| H50 | C50 | H9L | 109.5° | 108.2° |
| H51 | C51 | H9M | 109.5° | 107.7° |
| H9N | C52 | H52 | 109.5° | 107.6° |
| H9O | C53 | H53 | 109.5° | 108.2° |
| H9Y | N42 | H42 | 109.5° | 111.8° |
| H91 | N47 | H47 | 109.5° | 111.9° |
| H9V | C60 | H60 | 109.5° | 108.1° |
| H9W | C61 | H61 | 109.5° | 107.3° |
| H59 | C59 | H9U | 109.5° | 107.3° |
| H58 | C58 | H9T | 109.5° | 107.9° |
| H48 | N48 | H92 | 109.4° | 112.0° |
| H43 | N43 | H9Z | 109.5° | 111.9° |
| H9S | C57 | H57 | 109.5° | 108.1° |
| H9R | C56 | H56 | 109.5° | 107.4° |
| H9Q | C55 | H55 | 109.5° | 107.3° |
| H54 | C54 | H9P | 109.5° | 108.1° |
| H44 | N44 | H90 | 109.5° | 111.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N46 | C59 | C58 | H59 | 120.0° | 122.3° |
| N46 | C59 | C58 | H9U | 120.1° | 122.3° |
| C59 | N46 | C61 | PT1 | 114.8° | 97.5° |
| C59 | N46 | C61 | H46 | 131.6° | 133.9° |
| C59 | N46 | C61 | C60 | 161.3° | 125.4° |
| C59 | N46 | PT1 | H46 | 117.6° | 128.8° |
| N46 | C59 | C58 | N48 | 46.3° | 54.4° |
| C59 | N46 | PT1 | N48 | 27.5° | 2.4° |
| C59 | N46 | PT1 | N47 | 152.2° | 105.5° |
| C59 | N46 | PT1 | N30 | 49.0° | 128.8° |
| C59 | N46 | C61 | H9W | 41.2° | 112.3° |
| C59 | N46 | C61 | H61 | 78.8° | 3.1° |
| N46 | C59 | H59 | H9U | 119.8° | 115.6° |
| N46 | C59 | C58 | H58 | 73.9° | 66.9° |
| N46 | C59 | C58 | H9T | 166.6° | 176.4° |
| C58 | C59 | N46 | C61 | 160.8° | 125.4° |
| C58 | C59 | N46 | PT1 | 46.0° | 27.9° |
| C59 | C58 | N48 | H58 | 120.3° | 121.5° |
| C59 | C58 | N48 | H9T | 120.2° | 122.0° |
| C59 | C58 | N48 | PT1 | 21.3° | 41.2° |
| C58 | C59 | H59 | H9U | 119.8° | 115.6° |
| C59 | C58 | H58 | H9T | 119.2° | 116.9° |
| C59 | C58 | N48 | H48 | 140.7° | 74.9° |
| C58 | C59 | N46 | H46 | 67.6° | 101.0° |
| C59 | C58 | N48 | H92 | 98.1° | 158.1° |
| N46 | C61 | C60 | H9W | 120.0° | 122.2° |
| N46 | C61 | C60 | H61 | 120.0° | 122.3° |
| C61 | N46 | PT1 | H46 | 117.5° | 128.1° |
| N46 | C61 | C60 | N47 | 47.6° | 54.8° |
| C61 | N46 | PT1 | N48 | 152.4° | 105.5° |
| C61 | N46 | PT1 | N47 | 27.3° | 2.4° |
| C61 | N46 | PT1 | N30 | 76.0° | 128.2° |
| N46 | C61 | C60 | H9V | 167.8° | 66.9° |
| N46 | C61 | C60 | H60 | 72.6° | 176.3° |
| N46 | C61 | H9W | H61 | 120.0° | 115.6° |
| C61 | N46 | C59 | H59 | 79.1° | 112.3° |
| C61 | N46 | C59 | H9U | 40.7° | 3.1° |
| C60 | C61 | N46 | PT1 | 46.5° | 27.9° |
| C61 | C60 | N47 | H9V | 120.2° | 121.6° |
| C61 | C60 | N47 | H60 | 120.2° | 121.5° |
| C61 | C60 | N47 | PT1 | 22.7° | 41.7° |
| C61 | C60 | N47 | H91 | 96.7° | 158.2° |
| C61 | C60 | H9V | H60 | 119.4° | 116.9° |
| C60 | C61 | H9W | H61 | 119.9° | 115.6° |
| C60 | C61 | N46 | H46 | 67.2° | 100.7° |
| C61 | C60 | N47 | H47 | 142.1° | 74.9° |
| N46 | PT1 | N48 | C58 | 3.6° | 20.0° |
| N46 | PT1 | N47 | C60 | 2.7° | 20.5° |
| N46 | PT1 | N48 | N47 | 17.7° | 96.6° |
| N46 | PT1 | N48 | N30 | 179.9° | 127.5° |
| N46 | PT1 | N47 | N30 | 179.9° | 127.0° |
| N46 | PT1 | N30 | C31 | 5.0° | 155.5° |
| N46 | PT1 | N30 | C29 | 175.0° | 23.9° |
| N46 | PT1 | N47 | H91 | 122.0° | 137.0° |
| PT1 | N46 | C61 | H9W | 73.6° | 150.2° |
| PT1 | N46 | C61 | H61 | 166.4° | 94.5° |
| PT1 | N46 | C59 | H59 | 166.1° | 150.2° |
| PT1 | N46 | C59 | H9U | 74.1° | 94.4° |
| N46 | PT1 | N48 | H48 | 115.8° | 96.1° |
| N46 | PT1 | N47 | H47 | 116.7° | 96.1° |
| N46 | PT1 | N48 | H92 | 123.0° | 136.4° |
| C58 | N48 | PT1 | H48 | 119.4° | 116.1° |
| C58 | N48 | PT1 | H92 | 119.4° | 116.4° |
| C58 | N48 | PT1 | N47 | 14.1° | 116.6° |
| C58 | N48 | PT1 | N30 | 176.4° | 107.5° |
| N48 | C58 | C59 | H59 | 166.4° | 176.7° |
| N48 | C58 | C59 | H9U | 73.8° | 67.9° |
| N48 | C58 | H58 | H9T | 119.3° | 116.8° |
| C58 | N48 | H48 | H92 | 121.8° | 127.0° |
| C60 | N47 | PT1 | N48 | 15.0° | 117.5° |
| C60 | N47 | PT1 | H91 | 119.4° | 116.5° |
| C60 | N47 | PT1 | H47 | 119.3° | 116.6° |
| C60 | N47 | PT1 | N30 | 177.3° | 106.5° |
| C60 | N47 | H91 | H47 | 121.8° | 127.1° |
| N47 | C60 | H9V | H60 | 119.3° | 117.0° |
| N47 | C60 | C61 | H9W | 72.4° | 177.0° |
| N47 | C60 | C61 | H61 | 167.6° | 67.6° |
| C55 | C54 | N44 | H54 | 120.2° | 121.5° |
| C55 | C54 | N44 | H9P | 120.2° | 121.8° |
| C54 | C55 | N45 | H9Q | 119.2° | 122.3° |
| C54 | C55 | N45 | H55 | 119.3° | 122.3° |
| C55 | C54 | N44 | PT3 | 31.2° | 41.2° |
| C54 | C55 | N45 | PT3 | 49.8° | 27.9° |
| C54 | C55 | N45 | C56 | 164.7° | 125.5° |
| C54 | C55 | H9Q | H55 | 122.1° | 115.6° |
| C55 | C54 | H54 | H9P | 119.5° | 116.9° |
| C55 | C54 | N44 | H44 | 150.4° | 74.9° |
| C55 | C54 | N44 | H90 | 87.9° | 158.2° |
| C54 | C55 | N45 | H45 | 64.0° | 101.0° |
| N44 | C54 | C55 | N45 | 55.4° | 54.5° |
| C54 | N44 | PT3 | H44 | 119.2° | 116.2° |
| C54 | N44 | PT3 | H90 | 119.1° | 116.4° |
| C54 | N44 | PT3 | N45 | 1.8° | 20.0° |
| C54 | N44 | PT3 | N43 | 12.3° | 116.6° |
| C54 | N44 | PT3 | N25 | 178.2° | 107.4° |
| N44 | C54 | C55 | H9Q | 63.8° | 176.8° |
| N44 | C54 | C55 | H55 | 174.7° | 67.8° |
| N44 | C54 | H54 | H9P | 119.4° | 116.8° |
| C54 | N44 | H44 | H90 | 122.4° | 127.0° |
| N48 | PT1 | N47 | N30 | 162.2° | 135.9° |
| N48 | PT1 | N30 | C31 | 81.5° | 40.7° |
| N48 | PT1 | N30 | C29 | 98.6° | 138.7° |
| N48 | PT1 | N47 | H91 | 104.3° | 126.0° |
| PT1 | N48 | C58 | H58 | 98.9° | 80.3° |
| PT1 | N48 | C58 | H9T | 141.6° | 163.1° |
| PT1 | N48 | H48 | H92 | 121.8° | 128.0° |
| N48 | PT1 | N46 | H46 | 90.1° | 126.3° |
| N48 | PT1 | N47 | H47 | 134.4° | 0.9° |
| N47 | PT1 | N30 | C31 | 98.2° | 90.6° |
| N47 | PT1 | N30 | C29 | 81.8° | 90.0° |
| PT1 | N47 | H91 | H47 | 121.9° | 127.0° |
| PT1 | N47 | C60 | H9V | 143.0° | 79.9° |
| PT1 | N47 | C60 | H60 | 97.5° | 163.2° |
| N47 | PT1 | N48 | H48 | 133.5° | 0.5° |
| N47 | PT1 | N46 | H46 | 90.2° | 125.8° |
| N47 | PT1 | N48 | H92 | 105.3° | 127.1° |
| PT1 | N30 | C31 | C29 | 180.0° | 179.4° |
| PT1 | N30 | C31 | C32 | 180.0° | 179.7° |
| PT1 | N30 | C29 | C28 | 180.0° | 180.0° |
| PT1 | N30 | C31 | H31 | 0.0° | 0.6° |
| PT1 | N30 | C29 | H29 | 0.0° | 0.5° |
| N30 | PT1 | N47 | H91 | 57.9° | 10.0° |
| N30 | PT1 | N48 | H48 | 64.3° | 136.4° |
| N30 | PT1 | N46 | H46 | 166.5° | 0.0° |
| N30 | PT1 | N47 | H47 | 63.4° | 136.9° |
| N30 | PT1 | N48 | H92 | 57.0° | 8.9° |
| C55 | N45 | PT3 | N44 | 27.6° | 2.5° |
| C55 | N45 | PT3 | C56 | 125.1° | 103.1° |
| C55 | N45 | PT3 | H45 | 117.5° | 128.7° |
| C55 | N45 | C56 | H45 | 131.2° | 133.9° |
| C55 | N45 | PT3 | N43 | 152.1° | 105.5° |
| C55 | N45 | PT3 | N25 | 9.2° | 128.8° |
| C55 | N45 | C56 | C57 | 161.6° | 125.4° |
| C55 | N45 | C56 | H9R | 41.6° | 112.3° |
| C55 | N45 | C56 | H56 | 78.4° | 3.1° |
| N45 | C55 | H9Q | H55 | 122.2° | 115.6° |
| N45 | C55 | C54 | H54 | 64.7° | 66.8° |
| N45 | C55 | C54 | H9P | 175.6° | 176.3° |
| N44 | PT3 | N45 | N43 | 179.7° | 107.9° |
| N44 | PT3 | N45 | N25 | 18.4° | 126.3° |
| N44 | PT3 | N45 | C56 | 152.6° | 105.6° |
| N44 | PT3 | N43 | N25 | 169.6° | 136.0° |
| N44 | PT3 | N25 | C26 | 77.9° | 138.6° |
| N44 | PT3 | N43 | C57 | 8.0° | 117.5° |
| N44 | PT3 | N25 | C24 | 102.3° | 41.7° |
| N44 | PT3 | N43 | H43 | 127.4° | 126.0° |
| PT3 | N44 | C54 | H54 | 88.9° | 80.3° |
| PT3 | N44 | C54 | H9P | 151.4° | 163.0° |
| PT3 | N44 | H44 | H90 | 122.5° | 127.9° |
| N44 | PT3 | N43 | H9Z | 111.3° | 0.9° |
| N44 | PT3 | N45 | H45 | 89.9° | 126.3° |
| PT3 | N45 | C56 | H45 | 113.6° | 128.7° |
| N45 | PT3 | N43 | N25 | 180.0° | 127.0° |
| PT3 | N45 | C56 | C57 | 46.4° | 27.9° |
| N45 | PT3 | N25 | C26 | 96.3° | 23.9° |
| N45 | PT3 | N43 | C57 | 2.4° | 20.4° |
| N45 | PT3 | N25 | C24 | 83.9° | 156.5° |
| N45 | PT3 | N43 | H43 | 117.0° | 136.9° |
| PT3 | N45 | C56 | H9R | 73.6° | 150.2° |
| PT3 | N45 | C56 | H56 | 166.4° | 94.4° |
| PT3 | N45 | C55 | H9Q | 69.5° | 150.2° |
| PT3 | N45 | C55 | H55 | 169.0° | 94.4° |
| N45 | PT3 | N44 | H44 | 121.0° | 96.2° |
| N45 | PT3 | N43 | H9Z | 121.7° | 96.1° |
| N45 | PT3 | N44 | H90 | 117.3° | 136.4° |
| C56 | N45 | PT3 | N43 | 27.1° | 2.4° |
| C56 | N45 | PT3 | N25 | 134.2° | 128.1° |
| N45 | C56 | C57 | H9R | 120.0° | 122.3° |
| N45 | C56 | C57 | H56 | 120.0° | 122.2° |
| N45 | C56 | C57 | N43 | 47.8° | 54.7° |
| N45 | C56 | C57 | H9S | 168.0° | 67.0° |
| N45 | C56 | C57 | H57 | 72.4° | 176.3° |
| N45 | C56 | H9R | H56 | 120.0° | 115.6° |
| C56 | N45 | C55 | H9Q | 45.5° | 112.3° |
| C56 | N45 | C55 | H55 | 76.0° | 3.1° |
| N30 | C31 | C32 | H31 | 180.0° | 179.7° |
| N30 | C31 | C32 | C22 | 0.0° | 0.0° |
| C31 | N30 | C29 | C28 | 0.0° | 0.6° |
| N30 | C31 | C32 | H32 | 180.0° | 179.9° |
| C31 | N30 | C29 | H29 | 180.0° | 179.9° |
| C32 | C31 | N30 | C29 | 0.0° | 0.3° |
| C31 | C32 | C22 | H32 | 180.0° | 179.9° |
| C31 | C32 | C22 | C28 | 0.1° | 0.0° |
| C31 | C32 | C22 | C12 | 179.9° | 179.7° |
| N30 | C29 | C28 | H29 | 180.0° | 179.5° |
| N30 | C29 | C28 | C22 | 0.0° | 0.5° |
| N30 | C29 | C28 | H28 | 180.0° | 179.4° |
| C29 | N30 | C31 | H31 | 180.0° | 180.0° |
| C32 | C22 | C28 | C29 | 0.1° | 0.2° |
| C32 | C22 | C28 | C12 | 179.8° | 179.8° |
| C32 | C22 | C12 | C13 | 47.2° | 179.3° |
| C32 | C22 | C12 | C11 | 132.8° | 0.3° |
| C32 | C22 | C28 | H28 | 179.9° | 179.7° |
| C22 | C32 | C31 | H31 | 180.0° | 179.7° |
| PT3 | N43 | C57 | C56 | 23.0° | 41.7° |
| N43 | PT3 | N25 | C26 | 102.4° | 90.0° |
| PT3 | N43 | C57 | H43 | 119.4° | 116.6° |
| PT3 | N43 | C57 | H9Z | 119.3° | 116.6° |
| N43 | PT3 | N25 | C24 | 77.4° | 89.7° |
| PT3 | N43 | H43 | H9Z | 121.9° | 127.1° |
| PT3 | N43 | C57 | H9S | 143.2° | 79.9° |
| PT3 | N43 | C57 | H57 | 97.2° | 163.2° |
| N43 | PT3 | N44 | H44 | 131.4° | 0.3° |
| N43 | PT3 | N44 | H90 | 106.9° | 127.0° |
| N43 | PT3 | N45 | H45 | 90.4° | 125.8° |
| PT3 | N25 | C26 | C27 | 179.7° | 180.0° |
| PT3 | N25 | C26 | C24 | 179.8° | 179.7° |
| N25 | PT3 | N43 | C57 | 177.6° | 106.5° |
| PT3 | N25 | C24 | C23 | 179.7° | 179.8° |
| PT3 | N25 | C24 | H24 | 0.3° | 0.3° |
| PT3 | N25 | C26 | H26 | 0.2° | 0.3° |
| N25 | PT3 | N43 | H43 | 63.1° | 10.0° |
| N25 | PT3 | N44 | H44 | 59.0° | 136.3° |
| N25 | PT3 | N43 | H9Z | 58.3° | 136.9° |
| N25 | PT3 | N44 | H90 | 62.7° | 9.0° |
| N25 | PT3 | N45 | H45 | 108.3° | 0.0° |
| C56 | C57 | N43 | H9S | 120.2° | 121.6° |
| C56 | C57 | N43 | H57 | 120.2° | 121.5° |
| C56 | C57 | N43 | H43 | 142.4° | 158.2° |
| C56 | C57 | H9S | H57 | 119.4° | 116.8° |
| C57 | C56 | H9R | H56 | 119.9° | 115.6° |
| C56 | C57 | N43 | H9Z | 96.3° | 74.9° |
| C57 | C56 | N45 | H45 | 67.2° | 100.8° |
| C27 | C26 | N25 | H26 | 180.0° | 179.7° |
| C26 | C27 | C20 | H27 | 180.0° | 180.0° |
| C27 | C26 | N25 | C24 | 0.1° | 0.3° |
| C26 | C27 | C20 | C7 | 179.7° | 180.0° |
| C26 | C27 | C20 | C23 | 0.0° | 0.0° |
| N25 | C26 | C27 | C20 | 0.0° | 0.3° |
| C26 | N25 | C24 | C23 | 0.1° | 0.1° |
| C26 | N25 | C24 | H24 | 179.9° | 180.0° |
| N25 | C26 | C27 | H27 | 180.0° | 179.7° |
| C57 | N43 | H43 | H9Z | 121.9° | 127.0° |
| N43 | C57 | H9S | H57 | 119.3° | 117.0° |
| N43 | C57 | C56 | H9R | 72.2° | 177.0° |
| N43 | C57 | C56 | H56 | 167.8° | 67.5° |
| C27 | C20 | C7 | C23 | 179.7° | 179.9° |
| C27 | C20 | C23 | C24 | 0.0° | 0.2° |
| C27 | C20 | C7 | C6 | 29.3° | 0.6° |
| C27 | C20 | C7 | C8 | 151.0° | 180.0° |
| C27 | C20 | C23 | H23 | 180.0° | 180.0° |
| C20 | C27 | C26 | H26 | 180.0° | 180.0° |
| N25 | C24 | C23 | C20 | 0.1° | 0.2° |
| N25 | C24 | C23 | H24 | 180.0° | 179.9° |
| N25 | C24 | C23 | H23 | 179.9° | 180.0° |
| C24 | N25 | C26 | H26 | 180.0° | 180.0° |
| C29 | C28 | C22 | H28 | 180.0° | 179.9° |
| C29 | C28 | C22 | C12 | 180.0° | 180.0° |
| C28 | C22 | C12 | C13 | 132.9° | 0.5° |
| C28 | C22 | C12 | C11 | 47.1° | 180.0° |
| C28 | C22 | C32 | H32 | 179.9° | 180.0° |
| C22 | C28 | C29 | H29 | 180.0° | 180.0° |
| C22 | C12 | C13 | C11 | 180.0° | 179.5° |
| C22 | C12 | C13 | C14 | 179.9° | 179.8° |
| C22 | C12 | C11 | C10 | 179.8° | 180.0° |
| C12 | C22 | C28 | H28 | 0.1° | 0.0° |
| C12 | C22 | C32 | H32 | 0.1° | 0.2° |
| C22 | C12 | C13 | H13 | 0.1° | 0.4° |
| C22 | C12 | C11 | H11 | 0.1° | 0.5° |
| C12 | C13 | C14 | H13 | 180.0° | 179.8° |
| C12 | C13 | C14 | C4 | 0.1° | 0.0° |
| C13 | C12 | C11 | C10 | 0.1° | 0.5° |
| C12 | C13 | C14 | H14 | 179.9° | 180.0° |
| C13 | C12 | C11 | H11 | 179.9° | 180.0° |
| C14 | C13 | C12 | C11 | 0.0° | 0.3° |
| C13 | C14 | C4 | H14 | 180.0° | 180.0° |
| C13 | C14 | C4 | C10 | 0.1° | 0.0° |
| C13 | C14 | C4 | N1 | 179.8° | 179.7° |
| C7 | C20 | C23 | C24 | 179.7° | 179.7° |
| C20 | C7 | C6 | C8 | 179.7° | 179.5° |
| C20 | C7 | C6 | C5 | 179.6° | 179.7° |
| C20 | C7 | C8 | C9 | 179.6° | 180.0° |
| C20 | C7 | C8 | H8 | 0.4° | 0.5° |
| C7 | C20 | C23 | H23 | 0.3° | 0.1° |
| C7 | C20 | C27 | H27 | 0.3° | 0.0° |
| C20 | C7 | C6 | H6 | 0.4° | 0.5° |
| C20 | C23 | C24 | H23 | 180.0° | 179.8° |
| C23 | C20 | C7 | C6 | 150.4° | 179.5° |
| C23 | C20 | C7 | C8 | 29.3° | 0.0° |
| C20 | C23 | C24 | H24 | 179.9° | 179.7° |
| C23 | C20 | C27 | H27 | 180.0° | 180.0° |
| C12 | C11 | C10 | H11 | 180.0° | 179.5° |
| C12 | C11 | C10 | C4 | 0.1° | 0.5° |
| C12 | C11 | C10 | H10 | 179.9° | 179.5° |
| C11 | C12 | C13 | H13 | 180.0° | 180.0° |
| C7 | C6 | C5 | H6 | 180.0° | 179.7° |
| C7 | C6 | C5 | C3 | 0.0° | 0.0° |
| C6 | C7 | C8 | C9 | 0.1° | 0.5° |
| C7 | C6 | C5 | H5 | 179.9° | 180.0° |
| C6 | C7 | C8 | H8 | 179.9° | 180.0° |
| C5 | C6 | C7 | C8 | 0.1° | 0.2° |
| C6 | C5 | C3 | H5 | 180.0° | 180.0° |
| C6 | C5 | C3 | C9 | 0.1° | 0.0° |
| C6 | C5 | C3 | N1 | 179.5° | 179.7° |
| C7 | C8 | C9 | H8 | 180.0° | 179.5° |
| C7 | C8 | C9 | C3 | 0.0° | 0.5° |
| C7 | C8 | C9 | H9 | 180.0° | 179.5° |
| C8 | C7 | C6 | H6 | 179.9° | 180.0° |
| C14 | C4 | C10 | C11 | 0.0° | 0.3° |
| C14 | C4 | C10 | N1 | 179.9° | 179.7° |
| C14 | C4 | N1 | C3 | 54.8° | 71.4° |
| C14 | C4 | N1 | C2 | 127.8° | 108.6° |
| C14 | C4 | C10 | H10 | 180.0° | 179.8° |
| C4 | C14 | C13 | H13 | 179.9° | 179.8° |
| C5 | C3 | N1 | C4 | 43.8° | 174.1° |
| C5 | C3 | C9 | C8 | 0.1° | 0.2° |
| C5 | C3 | C9 | N1 | 179.6° | 179.7° |
| C5 | C3 | N1 | C2 | 133.6° | 6.0° |
| C5 | C3 | C9 | H9 | 179.9° | 179.7° |
| C3 | C5 | C6 | H6 | 180.0° | 179.7° |
| C11 | C10 | C4 | H10 | 180.0° | 180.0° |
| C11 | C10 | C4 | N1 | 179.9° | 180.0° |
| C10 | C4 | N1 | C3 | 125.1° | 108.9° |
| C10 | C4 | N1 | C2 | 52.3° | 71.1° |
| C10 | C4 | C14 | H14 | 179.9° | 180.0° |
| C4 | C10 | C11 | H11 | 179.9° | 180.0° |
| C4 | N1 | C3 | C9 | 136.6° | 5.6° |
| C4 | N1 | C3 | C2 | 177.4° | 180.0° |
| C4 | N1 | C2 | C19 | 38.0° | 70.7° |
| C4 | N1 | C2 | C15 | 141.7° | 109.1° |
| N1 | C4 | C10 | H10 | 0.1° | 0.1° |
| N1 | C4 | C14 | H14 | 0.2° | 0.3° |
| C8 | C9 | C3 | H9 | 180.0° | 180.0° |
| C8 | C9 | C3 | N1 | 179.5° | 179.9° |
| C9 | C3 | N1 | C2 | 46.0° | 174.3° |
| C9 | C3 | C5 | H5 | 179.9° | 180.0° |
| C3 | C9 | C8 | H8 | 180.0° | 180.0° |
| C3 | N1 | C2 | C19 | 144.6° | 109.4° |
| C3 | N1 | C2 | C15 | 35.7° | 70.9° |
| N1 | C3 | C5 | H5 | 0.5° | 0.3° |
| N1 | C3 | C9 | H9 | 0.5° | 0.0° |
| N1 | C2 | C19 | C15 | 179.8° | 179.7° |
| N1 | C2 | C19 | C18 | 179.7° | 179.7° |
| N1 | C2 | C15 | C16 | 179.7° | 179.7° |
| N1 | C2 | C19 | H19 | 0.3° | 0.2° |
| N1 | C2 | C15 | H15 | 0.3° | 0.2° |
| C2 | C19 | C18 | H19 | 180.0° | 180.0° |
| C19 | C2 | C15 | C16 | 0.0° | 0.0° |
| C2 | C19 | C18 | C17 | 0.0° | 0.0° |
| C2 | C19 | C18 | H18 | 180.0° | 180.0° |
| C19 | C2 | C15 | H15 | 179.9° | 180.0° |
| C15 | C2 | C19 | C18 | 0.1° | 0.0° |
| C2 | C15 | C16 | H15 | 180.0° | 180.0° |
| C2 | C15 | C16 | C17 | 0.1° | 0.1° |
| C15 | C2 | C19 | H19 | 179.9° | 180.0° |
| C2 | C15 | C16 | H16 | 179.9° | 180.0° |
| C19 | C18 | C17 | H18 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 0.1° | 0.1° |
| C19 | C18 | C17 | C21 | 179.7° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.1° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C21 | 179.7° | 180.0° |
| C18 | C17 | C16 | C21 | 179.8° | 179.9° |
| C18 | C17 | C21 | C33 | 36.5° | 180.0° |
| C18 | C17 | C21 | C37 | 143.7° | 0.3° |
| C17 | C18 | C19 | H19 | 180.0° | 180.0° |
| C18 | C17 | C16 | H16 | 179.9° | 180.0° |
| C16 | C17 | C21 | C33 | 143.3° | 0.0° |
| C16 | C17 | C21 | C37 | 36.5° | 179.7° |
| C16 | C17 | C18 | H18 | 179.9° | 180.0° |
| C17 | C16 | C15 | H15 | 180.0° | 180.0° |
| C17 | C21 | C33 | C37 | 179.8° | 179.7° |
| C17 | C21 | C33 | C34 | 179.9° | 179.7° |
| C17 | C21 | C37 | C36 | 179.8° | 179.7° |
| C17 | C21 | C37 | H37 | 0.2° | 0.3° |
| C17 | C21 | C33 | H33 | 0.2° | 0.2° |
| C21 | C17 | C18 | H18 | 0.3° | 0.0° |
| C21 | C17 | C16 | H16 | 0.3° | 0.1° |
| C21 | C33 | C34 | H33 | 180.0° | 179.9° |
| C33 | C21 | C37 | C36 | 0.0° | 0.0° |
| C21 | C33 | C34 | N35 | 0.2° | 0.1° |
| C21 | C33 | C34 | H34 | 179.8° | 180.0° |
| C33 | C21 | C37 | H37 | 180.0° | 180.0° |
| C37 | C21 | C33 | C34 | 0.1° | 0.0° |
| C21 | C37 | C36 | H37 | 180.0° | 179.9° |
| C21 | C37 | C36 | N35 | 0.0° | 0.0° |
| C21 | C37 | C36 | H36 | 180.0° | 179.9° |
| C37 | C21 | C33 | H33 | 179.9° | 179.9° |
| C33 | C34 | N35 | H34 | 180.0° | 179.9° |
| C33 | C34 | N35 | C36 | 0.1° | 0.1° |
| C33 | C34 | N35 | PT2 | 179.9° | 179.9° |
| C37 | C36 | N35 | C34 | 0.1° | 0.1° |
| C37 | C36 | N35 | H36 | 180.0° | 179.9° |
| C37 | C36 | N35 | PT2 | 180.0° | 179.9° |
| C34 | N35 | C36 | PT2 | 180.0° | 180.0° |
| C34 | N35 | PT2 | N41 | 77.6° | 90.0° |
| C34 | N35 | PT2 | N42 | 102.0° | 40.6° |
| C34 | N35 | PT2 | N49 | 22.3° | 155.3° |
| C34 | N35 | C36 | H36 | 179.9° | 180.0° |
| N35 | C34 | C33 | H33 | 179.9° | 180.0° |
| C36 | N35 | PT2 | N41 | 102.4° | 90.0° |
| C36 | N35 | PT2 | N42 | 78.0° | 139.4° |
| C36 | N35 | PT2 | N49 | 157.8° | 24.7° |
| C36 | N35 | C34 | H34 | 179.9° | 180.0° |
| N35 | C36 | C37 | H37 | 180.0° | 179.9° |
| N35 | PT2 | N41 | N42 | 161.8° | 135.9° |
| N35 | PT2 | N41 | N49 | 179.9° | 128.2° |
| N35 | PT2 | N41 | C50 | 176.9° | 146.1° |
| N35 | PT2 | N42 | N49 | 179.9° | 128.2° |
| N35 | PT2 | N42 | C53 | 176.5° | 110.3° |
| N35 | PT2 | N49 | C51 | 27.9° | 120.0° |
| N35 | PT2 | N49 | C52 | 97.0° | 133.1° |
| PT2 | N35 | C34 | H34 | 0.1° | 0.0° |
| N35 | PT2 | N41 | H9X | 63.7° | 97.4° |
| N35 | PT2 | N42 | H9Y | 57.1° | 6.2° |
| PT2 | N35 | C36 | H36 | 0.0° | 0.0° |
| N35 | PT2 | N41 | H41 | 57.6° | 29.5° |
| N35 | PT2 | N42 | H42 | 64.1° | 133.1° |
| N35 | PT2 | N49 | H49 | 145.5° | 6.6° |
| PT2 | N41 | C50 | H9X | 119.4° | 116.6° |
| PT2 | N41 | C50 | H41 | 119.4° | 116.6° |
| N41 | PT2 | N42 | N49 | 18.1° | 95.9° |
| N41 | PT2 | N42 | C53 | 14.8° | 113.8° |
| PT2 | N41 | C50 | C51 | 22.3° | 41.2° |
| N41 | PT2 | N49 | C51 | 27.4° | 6.6° |
| N41 | PT2 | N49 | C52 | 152.4° | 100.2° |
| PT2 | N41 | H9X | H41 | 121.8° | 127.0° |
| PT2 | N41 | C50 | H50 | 97.9° | 162.7° |
| PT2 | N41 | C50 | H9L | 142.5° | 80.2° |
| N41 | PT2 | N42 | H9Y | 104.6° | 129.6° |
| N41 | PT2 | N42 | H42 | 134.1° | 2.8° |
| N41 | PT2 | N49 | H49 | 90.1° | 133.3° |
| C50 | N41 | PT2 | N42 | 15.2° | 78.0° |
| C50 | N41 | PT2 | N49 | 3.0° | 17.9° |
| N41 | C50 | C51 | H50 | 120.2° | 121.4° |
| N41 | C50 | C51 | H9L | 120.2° | 121.5° |
| N41 | C50 | C51 | N49 | 47.3° | 58.4° |
| C50 | N41 | H9X | H41 | 121.8° | 126.9° |
| N41 | C50 | H50 | H9L | 119.3° | 117.2° |
| N41 | C50 | C51 | H51 | 167.3° | 63.6° |
| N41 | C50 | C51 | H9M | 72.7° | 179.7° |
| PT2 | N42 | C53 | H9Y | 119.4° | 116.6° |
| PT2 | N42 | C53 | H42 | 119.4° | 116.7° |
| PT2 | N42 | C53 | C52 | 21.5° | 41.2° |
| N42 | PT2 | N49 | C51 | 152.2° | 113.3° |
| N42 | PT2 | N49 | C52 | 27.3° | 6.5° |
| N42 | PT2 | N41 | H9X | 134.6° | 38.5° |
| PT2 | N42 | C53 | H9O | 141.7° | 80.2° |
| PT2 | N42 | C53 | H53 | 98.8° | 162.7° |
| PT2 | N42 | H9Y | H42 | 121.8° | 127.1° |
| N42 | PT2 | N41 | H41 | 104.2° | 165.4° |
| N42 | PT2 | N49 | H49 | 90.2° | 120.0° |
| N49 | PT2 | N42 | C53 | 3.4° | 17.9° |
| PT2 | N49 | C51 | C50 | 46.4° | 32.8° |
| PT2 | N49 | C52 | C53 | 45.9° | 32.7° |
| PT2 | N49 | C51 | C52 | 114.8° | 97.7° |
| PT2 | N49 | C51 | H49 | 113.6° | 128.1° |
| PT2 | N49 | C52 | H49 | 113.6° | 128.1° |
| N49 | PT2 | N41 | H9X | 116.4° | 134.4° |
| PT2 | N49 | C51 | H51 | 166.4° | 89.2° |
| PT2 | N49 | C51 | H9M | 73.6° | 154.8° |
| PT2 | N49 | C52 | H9N | 74.2° | 154.7° |
| PT2 | N49 | C52 | H52 | 165.9° | 89.3° |
| N49 | PT2 | N42 | H9Y | 122.8° | 134.5° |
| N49 | PT2 | N41 | H41 | 122.4° | 98.7° |
| N49 | PT2 | N42 | H42 | 116.0° | 98.7° |
| N42 | C53 | C52 | H9O | 120.3° | 121.4° |
| N42 | C53 | C52 | H53 | 120.3° | 121.5° |
| N42 | C53 | C52 | N49 | 46.3° | 58.2° |
| N42 | C53 | C52 | H9N | 73.7° | 179.8° |
| N42 | C53 | C52 | H52 | 166.4° | 63.8° |
| N42 | C53 | H9O | H53 | 119.2° | 117.2° |
| C53 | N42 | H9Y | H42 | 121.8° | 126.9° |
| C50 | C51 | N49 | H51 | 120.0° | 122.0° |
| C50 | C51 | N49 | H9M | 120.0° | 122.0° |
| C50 | C51 | N49 | C52 | 161.3° | 64.9° |
| C51 | C50 | N41 | H9X | 141.7° | 157.8° |
| C51 | C50 | H50 | H9L | 119.3° | 117.2° |
| C50 | C51 | H51 | H9M | 120.0° | 116.3° |
| C51 | C50 | N41 | H41 | 97.1° | 75.4° |
| C50 | C51 | N49 | H49 | 67.2° | 161.0° |
| C53 | C52 | N49 | C51 | 160.7° | 130.4° |
| C53 | C52 | N49 | H9N | 120.1° | 122.1° |
| C53 | C52 | N49 | H52 | 120.1° | 122.0° |
| C53 | C52 | H9N | H52 | 119.7° | 116.1° |
| C52 | C53 | H9O | H53 | 119.2° | 117.2° |
| C52 | C53 | N42 | H9Y | 97.9° | 157.8° |
| C52 | C53 | N42 | H42 | 140.8° | 75.5° |
| C53 | C52 | N49 | H49 | 67.8° | 95.4° |
| C51 | N49 | C52 | H49 | 131.5° | 134.3° |
| N49 | C51 | C50 | H50 | 73.0° | 179.8° |
| N49 | C51 | C50 | H9L | 167.5° | 63.1° |
| N49 | C51 | H51 | H9M | 119.9° | 116.0° |
| C51 | N49 | C52 | H9N | 40.6° | 107.6° |
| C51 | N49 | C52 | H52 | 79.3° | 8.4° |
| C52 | N49 | C51 | H51 | 78.7° | 173.1° |
| C52 | N49 | C51 | H9M | 41.2° | 57.1° |
| N49 | C52 | H9N | H52 | 119.8° | 116.1° |
| N49 | C52 | C53 | H9O | 166.6° | 63.2° |
| N49 | C52 | C53 | H53 | 73.9° | 179.7° |
| H5 | C5 | C6 | H6 | 0.1° | 0.2° |
| H8 | C8 | C9 | H9 | 0.0° | 0.1° |
| H10 | C10 | C11 | H11 | 0.1° | 0.0° |
| H14 | C14 | C13 | H13 | 0.1° | 0.2° |
| H23 | C23 | C24 | H24 | 0.1° | 0.1° |
| H27 | C27 | C26 | H26 | 0.0° | 0.0° |
| H28 | C28 | C29 | H29 | 0.0° | 0.1° |
| H32 | C32 | C31 | H31 | 0.0° | 0.3° |
| H34 | C34 | C33 | H33 | 0.1° | 0.1° |
| H9X | N41 | C50 | H50 | 21.5° | 80.7° |
| H9X | N41 | C50 | H9L | 98.1° | 36.3° |
| H50 | C50 | C51 | H51 | 47.1° | 57.8° |
| H50 | C50 | C51 | H9M | 167.0° | 58.3° |
| H50 | C50 | N41 | H41 | 142.7° | 46.1° |
| H9L | C50 | C51 | H51 | 72.5° | 174.9° |
| H9L | C50 | C51 | H9M | 47.5° | 58.8° |
| H9L | C50 | N41 | H41 | 23.2° | 163.2° |
| H51 | C51 | N49 | H49 | 52.8° | 38.9° |
| H9M | C51 | N49 | H49 | 172.7° | 77.1° |
| H9N | C52 | C53 | H9O | 46.5° | 58.8° |
| H9N | C52 | C53 | H53 | 166.0° | 58.3° |
| H9N | C52 | N49 | H49 | 172.1° | 26.7° |
| H52 | C52 | C53 | H9O | 73.3° | 174.8° |
| H52 | C52 | C53 | H53 | 46.2° | 57.7° |
| H52 | C52 | N49 | H49 | 52.3° | 142.7° |
| H9O | C53 | N42 | H9Y | 22.4° | 36.4° |
| H9O | C53 | N42 | H42 | 98.9° | 163.1° |
| H53 | C53 | N42 | H9Y | 141.9° | 80.7° |
| H53 | C53 | N42 | H42 | 20.6° | 46.0° |
| H36 | C36 | C37 | H37 | 0.0° | 0.0° |
| H18 | C18 | C19 | H19 | 0.0° | 0.0° |
| H16 | C16 | C15 | H15 | 0.1° | 0.1° |
| H91 | N47 | C60 | H9V | 23.6° | 36.6° |
| H91 | N47 | C60 | H60 | 143.1° | 80.3° |
| H9V | C60 | C61 | H9W | 47.8° | 55.4° |
| H9V | C60 | C61 | H61 | 72.2° | 170.8° |
| H9V | C60 | N47 | H47 | 97.7° | 163.5° |
| H60 | C60 | C61 | H9W | 167.4° | 61.4° |
| H60 | C60 | C61 | H61 | 47.4° | 54.0° |
| H60 | C60 | N47 | H47 | 21.9° | 46.7° |
| H9W | C61 | N46 | H46 | 172.8° | 21.6° |
| H61 | C61 | N46 | H46 | 52.8° | 136.9° |
| H59 | C59 | C58 | H58 | 46.1° | 55.4° |
| H59 | C59 | C58 | H9T | 73.4° | 61.3° |
| H59 | C59 | N46 | H46 | 52.4° | 21.3° |
| H9U | C59 | C58 | H58 | 166.0° | 170.8° |
| H9U | C59 | C58 | H9T | 46.5° | 54.1° |
| H9U | C59 | N46 | H46 | 172.3° | 136.7° |
| H58 | C58 | N48 | H48 | 20.5° | 163.6° |
| H58 | C58 | N48 | H92 | 141.7° | 36.6° |
| H9T | C58 | N48 | H48 | 99.0° | 47.0° |
| H9T | C58 | N48 | H92 | 22.2° | 79.9° |
| H43 | N43 | C57 | H9S | 97.4° | 36.6° |
| H43 | N43 | C57 | H57 | 22.1° | 80.3° |
| H9S | C57 | C56 | H9R | 48.0° | 55.4° |
| H9S | C57 | C56 | H56 | 72.0° | 170.8° |
| H9S | C57 | N43 | H9Z | 23.9° | 163.5° |
| H57 | C57 | C56 | H9R | 167.6° | 61.4° |
| H57 | C57 | C56 | H56 | 47.6° | 54.0° |
| H57 | C57 | N43 | H9Z | 143.4° | 46.6° |
| H9R | C56 | N45 | H45 | 172.8° | 21.6° |
| H56 | C56 | N45 | H45 | 52.8° | 137.0° |
| H9Q | C55 | C54 | H54 | 176.0° | 55.4° |
| H9Q | C55 | C54 | H9P | 56.3° | 61.4° |
| H9Q | C55 | N45 | H45 | 176.7° | 21.3° |
| H55 | C55 | C54 | H54 | 54.6° | 170.8° |
| H55 | C55 | C54 | H9P | 65.1° | 54.0° |
| H55 | C55 | N45 | H45 | 55.2° | 136.7° |
| H54 | C54 | N44 | H44 | 30.2° | 163.6° |
| H54 | C54 | N44 | H90 | 151.9° | 36.7° |
| H9P | C54 | N44 | H44 | 89.4° | 46.9° |
| H9P | C54 | N44 | H90 | 32.3° | 80.0° |
