E52
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | C1 | sing | 1.41Å | 1.41Å | |
| C1 | C6 | doub | 1.42Å | 1.42Å | Aromatic |
| C1 | C2 | sing | 1.49Å | 1.49Å | Aromatic |
| C2 | C3 | doub | 1.43Å | 1.43Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | C4 | doub | 1.45Å | 1.45Å | Aromatic |
| C4 | N21 | sing | 1.35Å | 1.35Å | Aromatic |
| C6 | C5 | sing | 1.48Å | 1.48Å | Aromatic |
| C5 | C9 | sing | 1.42Å | 1.42Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | N22 | sing | 1.46Å | 1.46Å | |
| C7 | H7 | sing | 1.10Å | 1.10Å | |
| C7 | H7A | sing | 1.10Å | 1.10Å | |
| C7 | H7B | sing | 1.10Å | 1.10Å | |
| C9 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C8 | N21 | sing | 1.36Å | 1.36Å | Aromatic |
| C8 | C10 | sing | 1.34Å | 1.34Å | Aromatic |
| C13 | C9 | sing | 1.48Å | 1.48Å | Aromatic |
| C11 | C10 | doub | 1.52Å | 1.52Å | Aromatic |
| C10 | N20 | sing | 1.43Å | 1.43Å | Aromatic |
| C12 | C11 | sing | 1.41Å | 1.41Å | Aromatic |
| C11 | C17 | sing | 1.41Å | 1.41Å | Aromatic |
| C13 | C12 | doub | 1.35Å | 1.35Å | Aromatic |
| C18 | C12 | sing | 1.49Å | 1.49Å | |
| C14 | C13 | sing | 1.54Å | 1.54Å | |
| O25 | C14 | doub | 1.18Å | 1.18Å | |
| C14 | N22 | sing | 1.34Å | 1.34Å | |
| N20 | C15 | doub | 1.30Å | 1.30Å | Aromatic |
| C16 | C15 | sing | 1.47Å | 1.47Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | F | sing | 1.21Å | 1.21Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| N22 | C18 | sing | 1.36Å | 1.36Å | |
| C18 | O24 | doub | 1.18Å | 1.18Å | |
| N20 | RU | sing | 1.97Å | 1.97Å | |
| N21 | RU | sing | 2.04Å | 2.04Å | |
| O23 | HO23 | sing | 0.95Å | 0.95Å | |
| C27 | RU | sing | 1.94Å | 1.94Å | |
| RU | C33 | sing | 2.03Å | 2.03Å | |
| RU | C31 | sing | 2.04Å | 2.04Å | |
| O28 | C27 | trip | 1.15Å | 1.15Å | |
| C33 | C29 | doub | 1.50Å | 1.50Å | |
| C29 | C30 | sing | 1.36Å | 1.36Å | |
| C29 | RU | sing | 2.04Å | 2.04Å | |
| C30 | C31 | sing | 1.45Å | 1.45Å | |
| C30 | C34 | sing | 1.48Å | 1.48Å | |
| C32 | C31 | doub | 1.44Å | 1.44Å | |
| C33 | C32 | sing | 1.36Å | 1.36Å | |
| C32 | RU | sing | 2.04Å | 2.04Å | |
| N39 | C34 | sing | 1.37Å | 1.37Å | |
| C34 | O40 | doub | 1.22Å | 1.22Å | |
| C38 | C35 | sing | 1.54Å | 1.54Å | |
| N39 | C35 | sing | 1.47Å | 1.47Å | |
| C35 | C37 | sing | 1.54Å | 1.54Å | |
| C35 | C36 | sing | 1.54Å | 1.54Å | |
| C36 | H36 | sing | 1.10Å | 1.10Å | |
| C36 | H36A | sing | 1.10Å | 1.10Å | |
| C36 | H36B | sing | 1.10Å | 1.10Å | |
| O41 | C37 | sing | 1.41Å | 1.41Å | |
| C37 | H37 | sing | 1.10Å | 1.10Å | |
| C37 | H37A | sing | 1.10Å | 1.10Å | |
| O42 | C38 | sing | 1.42Å | 1.42Å | |
| C38 | H38 | sing | 1.10Å | 1.10Å | |
| C38 | H38A | sing | 1.10Å | 1.10Å | |
| N39 | HN39 | sing | 1.00Å | 1.00Å | |
| O41 | HO41 | sing | 0.95Å | 0.95Å | |
| O42 | HO42 | sing | 0.95Å | 0.95Å | |
| C30 | RU | sing | 2.04Å | 2.04Å | |
| C29 | H20 | sing | 1.10Å | 1.10Å | |
| C31 | H21 | sing | 1.10Å | 1.10Å | |
| C32 | H22 | sing | 1.10Å | 1.10Å | |
| C33 | H23 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | C1 | C6 | 117.9° | 117.9° |
| O23 | C1 | C2 | 121.6° | 121.6° |
| C1 | O23 | HO23 | 109.5° | 109.5° |
| C6 | C1 | C2 | 120.5° | 120.5° |
| C1 | C6 | C5 | 113.9° | 113.9° |
| C1 | C6 | H6 | 123.1° | 123.1° |
| C1 | C2 | C3 | 123.5° | 123.5° |
| C1 | C2 | H2 | 118.2° | 118.2° |
| C3 | C2 | H2 | 118.3° | 118.3° |
| C2 | C3 | C4 | 116.2° | 116.2° |
| C2 | C3 | H3 | 121.9° | 121.9° |
| C4 | C3 | H3 | 121.9° | 121.9° |
| C3 | C4 | C5 | 121.7° | 121.7° |
| C3 | C4 | N21 | 132.4° | 132.4° |
| C5 | C4 | N21 | 105.7° | 105.7° |
| C4 | C5 | C6 | 124.0° | 124.0° |
| C4 | C5 | C9 | 111.8° | 111.8° |
| C4 | N21 | C8 | 107.0° | 107.0° |
| C4 | N21 | RU | 142.5° | 142.5° |
| C6 | C5 | C9 | 124.1° | 124.1° |
| C5 | C6 | H6 | 123.1° | 123.1° |
| C5 | C9 | C8 | 99.4° | 99.4° |
| C5 | C9 | C13 | 145.3° | 145.3° |
| N22 | C7 | H7 | 109.5° | 109.5° |
| N22 | C7 | H7A | 109.5° | 109.5° |
| N22 | C7 | H7B | 109.5° | 109.5° |
| C7 | N22 | C14 | 121.9° | 121.9° |
| C7 | N22 | C18 | 117.9° | 117.9° |
| H7 | C7 | H7A | 109.5° | 109.5° |
| H7 | C7 | H7B | 109.5° | 109.5° |
| H7A | C7 | H7B | 109.5° | 109.5° |
| C9 | C8 | N21 | 115.9° | 115.9° |
| C9 | C8 | C10 | 126.0° | 126.0° |
| C8 | C9 | C13 | 115.3° | 115.3° |
| N21 | C8 | C10 | 117.9° | 117.9° |
| C8 | N21 | RU | 110.3° | 110.3° |
| C8 | C10 | C11 | 116.8° | 116.8° |
| C8 | C10 | N20 | 118.6° | 118.6° |
| C9 | C13 | C12 | 122.5° | 122.5° |
| C9 | C13 | C14 | 127.9° | 127.9° |
| C11 | C10 | N20 | 124.6° | 124.6° |
| C10 | C11 | C12 | 119.3° | 119.3° |
| C10 | C11 | C17 | 114.4° | 114.4° |
| C10 | N20 | C15 | 117.8° | 117.8° |
| C10 | N20 | RU | 109.8° | 109.8° |
| C12 | C11 | C17 | 126.3° | 126.3° |
| C11 | C12 | C13 | 119.9° | 119.9° |
| C11 | C12 | C18 | 131.5° | 131.5° |
| C11 | C17 | C16 | 118.6° | 118.6° |
| C11 | C17 | H17 | 120.7° | 120.7° |
| C13 | C12 | C18 | 108.7° | 108.7° |
| C12 | C13 | C14 | 109.5° | 109.5° |
| C12 | C18 | N22 | 101.9° | 101.9° |
| C12 | C18 | O24 | 130.5° | 130.5° |
| C13 | C14 | O25 | 138.7° | 138.7° |
| C13 | C14 | N22 | 99.7° | 99.7° |
| O25 | C14 | N22 | 121.7° | 121.7° |
| C14 | N22 | C18 | 120.2° | 120.2° |
| N20 | C15 | C16 | 120.3° | 120.3° |
| N20 | C15 | H15 | 119.9° | 119.9° |
| C15 | N20 | RU | 132.4° | 132.4° |
| C16 | C15 | H15 | 119.8° | 119.8° |
| C15 | C16 | C17 | 124.3° | 124.3° |
| C15 | C16 | F | 118.3° | 118.3° |
| C17 | C16 | F | 117.4° | 117.4° |
| C16 | C17 | H17 | 120.7° | 120.7° |
| N22 | C18 | O24 | 127.6° | 127.6° |
| N20 | RU | N21 | 83.3° | 83.3° |
| N20 | RU | C27 | 104.2° | 104.2° |
| N20 | RU | C33 | 142.1° | 142.1° |
| N20 | RU | C31 | 80.3° | 80.3° |
| N20 | RU | C29 | 139.5° | 139.5° |
| N20 | RU | C32 | 103.1° | 103.1° |
| N20 | RU | C30 | 100.5° | 100.5° |
| N21 | RU | C27 | 90.4° | 90.4° |
| N21 | RU | C33 | 97.3° | 97.3° |
| N21 | RU | C31 | 123.6° | 123.6° |
| N21 | RU | C29 | 135.3° | 135.3° |
| N21 | RU | C32 | 92.6° | 92.6° |
| N21 | RU | C30 | 162.0° | 162.0° |
| C27 | RU | C33 | 113.6° | 113.6° |
| C27 | RU | C31 | 146.0° | 146.0° |
| RU | C27 | O28 | 169.0° | 169.0° |
| C27 | RU | C29 | 89.7° | 89.7° |
| C27 | RU | C32 | 152.7° | 152.7° |
| C27 | RU | C30 | 105.4° | 105.4° |
| C33 | RU | C31 | 67.8° | 67.8° |
| RU | C33 | C29 | 68.8° | 68.8° |
| C33 | RU | C29 | 43.2° | 43.2° |
| RU | C33 | C32 | 71.0° | 71.0° |
| C33 | RU | C32 | 39.1° | 39.1° |
| C33 | RU | C30 | 68.8° | 68.8° |
| RU | C33 | H23 | 113.7° | 113.7° |
| C31 | RU | C29 | 68.2° | 68.2° |
| RU | C31 | C30 | 69.4° | 69.4° |
| RU | C31 | C32 | 69.6° | 69.6° |
| C31 | RU | C32 | 41.2° | 41.2° |
| C31 | RU | C30 | 41.6° | 41.6° |
| RU | C31 | H21 | 114.2° | 114.2° |
| C33 | C29 | C30 | 106.9° | 106.9° |
| C33 | C29 | RU | 67.9° | 67.9° |
| C29 | C33 | C32 | 108.4° | 108.4° |
| C33 | C29 | H20 | 123.6° | 123.6° |
| C29 | C33 | H23 | 122.9° | 122.9° |
| C30 | C29 | RU | 70.5° | 70.5° |
| C29 | C30 | C31 | 109.0° | 109.0° |
| C29 | C30 | C34 | 126.7° | 126.7° |
| C29 | C30 | RU | 70.5° | 70.5° |
| C30 | C29 | H20 | 127.5° | 127.5° |
| C29 | RU | C32 | 69.3° | 69.3° |
| C29 | RU | C30 | 39.0° | 39.0° |
| RU | C29 | H20 | 114.0° | 114.0° |
| C31 | C30 | C34 | 124.4° | 124.4° |
| C30 | C31 | C32 | 107.5° | 107.5° |
| C31 | C30 | RU | 69.0° | 69.0° |
| C30 | C31 | H21 | 125.2° | 125.2° |
| C30 | C34 | N39 | 113.3° | 113.3° |
| C30 | C34 | O40 | 122.5° | 122.5° |
| C34 | C30 | RU | 126.7° | 126.7° |
| C31 | C32 | C33 | 108.3° | 108.3° |
| C31 | C32 | RU | 69.2° | 69.2° |
| C32 | C31 | H21 | 125.5° | 125.5° |
| C31 | C32 | H22 | 123.6° | 123.6° |
| C33 | C32 | RU | 70.0° | 70.0° |
| C33 | C32 | H22 | 125.8° | 125.8° |
| C32 | C33 | H23 | 126.8° | 126.8° |
| C32 | RU | C30 | 69.4° | 69.4° |
| RU | C32 | H22 | 112.9° | 112.9° |
| N39 | C34 | O40 | 124.2° | 124.2° |
| C34 | N39 | C35 | 125.8° | 125.8° |
| C34 | N39 | HN39 | 117.1° | 117.1° |
| C38 | C35 | N39 | 105.3° | 105.3° |
| C38 | C35 | C37 | 109.1° | 109.1° |
| C38 | C35 | C36 | 109.9° | 109.9° |
| C35 | C38 | O42 | 109.5° | 109.5° |
| C35 | C38 | H38 | 109.4° | 109.5° |
| C35 | C38 | H38A | 109.5° | 109.5° |
| N39 | C35 | C37 | 115.9° | 115.9° |
| N39 | C35 | C36 | 107.5° | 107.5° |
| C35 | N39 | HN39 | 117.1° | 117.1° |
| C37 | C35 | C36 | 109.1° | 109.1° |
| C35 | C37 | O41 | 110.3° | 110.3° |
| C35 | C37 | H37 | 109.3° | 109.3° |
| C35 | C37 | H37A | 109.3° | 109.3° |
| C35 | C36 | H36 | 109.5° | 109.5° |
| C35 | C36 | H36A | 109.5° | 109.5° |
| C35 | C36 | H36B | 109.5° | 109.5° |
| H36 | C36 | H36A | 109.4° | 109.4° |
| H36 | C36 | H36B | 109.5° | 109.5° |
| H36A | C36 | H36B | 109.5° | 109.5° |
| O41 | C37 | H37 | 109.3° | 109.2° |
| O41 | C37 | H37A | 109.3° | 109.3° |
| C37 | O41 | HO41 | 109.5° | 109.5° |
| H37 | C37 | H37A | 109.4° | 109.5° |
| O42 | C38 | H38 | 109.5° | 109.5° |
| O42 | C38 | H38A | 109.5° | 109.5° |
| C38 | O42 | HO42 | 109.5° | 109.5° |
| H38 | C38 | H38A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | C1 | C6 | C2 | 178.6° | 178.6° |
| O23 | C1 | C2 | C3 | 177.9° | 177.9° |
| O23 | C1 | C2 | H2 | 2.1° | 2.1° |
| O23 | C1 | C6 | C5 | 177.7° | 177.7° |
| O23 | C1 | C6 | H6 | 2.3° | 2.3° |
| C6 | C1 | C2 | C3 | 0.7° | 0.7° |
| C6 | C1 | C2 | H2 | 179.3° | 179.3° |
| C1 | C6 | C5 | C4 | 3.3° | 3.3° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | C9 | 179.3° | 179.3° |
| C6 | C1 | O23 | HO23 | 180.0° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 2.5° | 2.5° |
| C1 | C2 | C3 | H3 | 177.4° | 177.4° |
| C2 | C1 | C6 | C5 | 1.0° | 1.0° |
| C2 | C1 | C6 | H6 | 179.1° | 179.1° |
| C2 | C1 | O23 | HO23 | 1.4° | 1.4° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 4.8° | 4.8° |
| C2 | C3 | C4 | N21 | 178.2° | 178.2° |
| H2 | C2 | C3 | C4 | 177.5° | 177.5° |
| H2 | C2 | C3 | H3 | 2.6° | 2.6° |
| C3 | C4 | C5 | N21 | 175.0° | 175.0° |
| C3 | C4 | C5 | C6 | 5.5° | 5.5° |
| C3 | C4 | C5 | C9 | 178.1° | 178.1° |
| C3 | C4 | N21 | C8 | 178.8° | 178.8° |
| C3 | C4 | N21 | RU | 6.8° | 6.8° |
| H3 | C3 | C4 | C5 | 175.2° | 175.2° |
| H3 | C3 | C4 | N21 | 1.8° | 1.8° |
| C4 | C5 | C6 | C9 | 176.0° | 176.0° |
| C4 | C5 | C6 | H6 | 176.7° | 176.7° |
| C4 | C5 | C9 | C8 | 0.2° | 0.2° |
| C5 | C4 | N21 | C8 | 4.6° | 4.6° |
| C4 | C5 | C9 | C13 | 177.9° | 177.9° |
| C5 | C4 | N21 | RU | 179.0° | 179.0° |
| N21 | C4 | C5 | C6 | 179.5° | 179.5° |
| N21 | C4 | C5 | C9 | 3.1° | 3.1° |
| C4 | N21 | C8 | C9 | 5.0° | 5.0° |
| C4 | N21 | C8 | RU | 176.4° | 176.4° |
| C4 | N21 | C8 | C10 | 179.2° | 179.2° |
| C4 | N21 | RU | N20 | 176.0° | 176.0° |
| C4 | N21 | RU | C27 | 79.7° | 79.7° |
| C4 | N21 | RU | C33 | 34.2° | 34.2° |
| C4 | N21 | RU | C31 | 102.4° | 102.4° |
| C4 | N21 | RU | C29 | 10.3° | 10.3° |
| C4 | N21 | RU | C32 | 73.1° | 73.1° |
| C4 | N21 | RU | C30 | 72.3° | 72.3° |
| C6 | C5 | C9 | C8 | 176.6° | 176.6° |
| C6 | C5 | C9 | C13 | 1.5° | 1.5° |
| C9 | C5 | C6 | H6 | 0.7° | 0.7° |
| C5 | C9 | C8 | C13 | 178.8° | 178.8° |
| C5 | C9 | C8 | N21 | 2.9° | 2.9° |
| C5 | C9 | C8 | C10 | 178.3° | 178.3° |
| C5 | C9 | C13 | C12 | 179.4° | 179.4° |
| C5 | C9 | C13 | C14 | 0.4° | 0.4° |
| N22 | C7 | H7 | H7A | 120.0° | 120.0° |
| N22 | C7 | H7 | H7B | 120.0° | 120.0° |
| N22 | C7 | H7A | H7B | 120.0° | 120.0° |
| C7 | N22 | C18 | C12 | 179.4° | 179.4° |
| C7 | N22 | C14 | C13 | 179.7° | 179.7° |
| C7 | N22 | C14 | O25 | 0.3° | 0.3° |
| C7 | N22 | C14 | C18 | 178.8° | 178.8° |
| C7 | N22 | C18 | O24 | 0.2° | 0.2° |
| H7 | C7 | H7A | H7B | 120.0° | 120.0° |
| H7 | C7 | N22 | C14 | 180.0° | 180.0° |
| H7 | C7 | N22 | C18 | 1.2° | 1.2° |
| H7A | C7 | N22 | C14 | 60.0° | 60.0° |
| H7A | C7 | N22 | C18 | 118.8° | 118.8° |
| H7B | C7 | N22 | C14 | 60.0° | 60.0° |
| H7B | C7 | N22 | C18 | 121.2° | 121.2° |
| C9 | C8 | N21 | C10 | 175.8° | 175.8° |
| C9 | C8 | C10 | C11 | 2.8° | 2.8° |
| C9 | C8 | C10 | N20 | 178.0° | 178.0° |
| C8 | C9 | C13 | C12 | 1.4° | 1.4° |
| C8 | C9 | C13 | C14 | 178.4° | 178.4° |
| C9 | C8 | N21 | RU | 178.6° | 178.6° |
| N21 | C8 | C9 | C13 | 178.3° | 178.3° |
| N21 | C8 | C10 | C11 | 178.1° | 178.1° |
| N21 | C8 | C10 | N20 | 2.7° | 2.7° |
| C8 | N21 | RU | N20 | 1.7° | 1.7° |
| C8 | N21 | RU | C27 | 106.0° | 106.0° |
| C8 | N21 | RU | C33 | 140.1° | 140.1° |
| C8 | N21 | RU | C31 | 72.0° | 72.0° |
| C8 | N21 | RU | C29 | 164.0° | 164.0° |
| C8 | N21 | RU | C32 | 101.2° | 101.2° |
| C8 | N21 | RU | C30 | 102.0° | 102.0° |
| C10 | C8 | C9 | C13 | 2.9° | 2.9° |
| C8 | C10 | C11 | N20 | 179.1° | 179.1° |
| C8 | C10 | C11 | C12 | 1.3° | 1.3° |
| C8 | C10 | C11 | C17 | 178.9° | 178.9° |
| C8 | C10 | N20 | C15 | 179.9° | 179.9° |
| C8 | C10 | N20 | RU | 1.0° | 1.0° |
| C10 | C8 | N21 | RU | 2.8° | 2.8° |
| C9 | C13 | C12 | C11 | 0.2° | 0.2° |
| C9 | C13 | C12 | C14 | 179.8° | 179.8° |
| C9 | C13 | C12 | C18 | 178.7° | 178.7° |
| C9 | C13 | C14 | O25 | 0.2° | 0.2° |
| C9 | C13 | C14 | N22 | 179.7° | 179.7° |
| C10 | C11 | C12 | C17 | 179.8° | 179.8° |
| C10 | C11 | C12 | C13 | 0.1° | 0.1° |
| C10 | C11 | C12 | C18 | 178.4° | 178.4° |
| C11 | C10 | N20 | C15 | 0.8° | 0.8° |
| C10 | C11 | C17 | C16 | 1.2° | 1.2° |
| C10 | C11 | C17 | H17 | 178.8° | 178.8° |
| C11 | C10 | N20 | RU | 179.8° | 179.8° |
| N20 | C10 | C11 | C12 | 179.5° | 179.5° |
| N20 | C10 | C11 | C17 | 0.3° | 0.3° |
| C10 | N20 | C15 | RU | 178.8° | 178.8° |
| C10 | N20 | C15 | C16 | 0.9° | 0.9° |
| C10 | N20 | C15 | H15 | 179.1° | 179.1° |
| C10 | N20 | RU | N21 | 0.4° | 0.4° |
| C10 | N20 | RU | C27 | 89.1° | 89.1° |
| C10 | N20 | RU | C33 | 93.0° | 93.0° |
| C10 | N20 | RU | C31 | 125.4° | 125.4° |
| C10 | N20 | RU | C29 | 164.1° | 164.1° |
| C10 | N20 | RU | C32 | 90.8° | 90.8° |
| C10 | N20 | RU | C30 | 161.9° | 161.9° |
| C11 | C12 | C13 | C18 | 178.9° | 178.9° |
| C11 | C12 | C13 | C14 | 179.6° | 179.6° |
| C12 | C11 | C17 | C16 | 178.6° | 178.6° |
| C12 | C11 | C17 | H17 | 1.4° | 1.4° |
| C11 | C12 | C18 | N22 | 179.4° | 179.4° |
| C11 | C12 | C18 | O24 | 0.2° | 0.2° |
| C17 | C11 | C12 | C13 | 179.9° | 179.9° |
| C17 | C11 | C12 | C18 | 1.4° | 1.4° |
| C11 | C17 | C16 | C15 | 1.2° | 1.2° |
| C11 | C17 | C16 | H17 | 180.0° | 180.0° |
| C11 | C17 | C16 | F | 179.1° | 179.1° |
| C12 | C13 | C14 | O25 | 179.6° | 179.6° |
| C12 | C13 | C14 | N22 | 0.5° | 0.5° |
| C13 | C12 | C18 | N22 | 1.9° | 1.9° |
| C13 | C12 | C18 | O24 | 178.5° | 178.5° |
| C18 | C12 | C13 | C14 | 1.5° | 1.5° |
| C12 | C18 | N22 | C14 | 1.8° | 1.8° |
| C12 | C18 | N22 | O24 | 179.6° | 179.6° |
| C13 | C14 | O25 | N22 | 179.9° | 179.9° |
| C13 | C14 | N22 | C18 | 0.9° | 0.9° |
| O25 | C14 | N22 | C18 | 179.0° | 179.0° |
| C14 | N22 | C18 | O24 | 178.6° | 178.6° |
| N20 | C15 | C16 | H15 | 180.0° | 180.0° |
| N20 | C15 | C16 | C17 | 0.0° | 0.0° |
| N20 | C15 | C16 | F | 179.7° | 179.7° |
| C15 | N20 | RU | N21 | 178.4° | 178.4° |
| C15 | N20 | RU | C27 | 89.7° | 89.7° |
| C15 | N20 | RU | C33 | 88.2° | 88.2° |
| C15 | N20 | RU | C31 | 55.8° | 55.8° |
| C15 | N20 | RU | C29 | 17.0° | 17.0° |
| C15 | N20 | RU | C32 | 90.4° | 90.4° |
| C15 | N20 | RU | C30 | 19.3° | 19.3° |
| C15 | C16 | C17 | F | 179.7° | 179.7° |
| C15 | C16 | C17 | H17 | 178.8° | 178.8° |
| C16 | C15 | N20 | RU | 179.7° | 179.7° |
| H15 | C15 | C16 | C17 | 179.9° | 179.9° |
| H15 | C15 | C16 | F | 0.2° | 0.2° |
| H15 | C15 | N20 | RU | 0.3° | 0.3° |
| F | C16 | C17 | H17 | 0.9° | 0.9° |
| N20 | RU | N21 | C27 | 104.3° | 104.3° |
| N20 | RU | N21 | C33 | 141.8° | 141.8° |
| N20 | RU | N21 | C31 | 73.6° | 73.6° |
| N20 | RU | N21 | C29 | 165.7° | 165.7° |
| N20 | RU | N21 | C32 | 102.9° | 102.9° |
| N20 | RU | N21 | C30 | 103.7° | 103.7° |
| N20 | RU | C27 | C33 | 178.6° | 178.6° |
| N20 | RU | C27 | C31 | 93.7° | 93.7° |
| N20 | RU | C27 | C29 | 141.5° | 141.5° |
| N20 | RU | C27 | C32 | 179.7° | 179.7° |
| N20 | RU | C27 | C30 | 105.4° | 105.4° |
| N20 | RU | C33 | C31 | 34.8° | 34.8° |
| N20 | RU | C33 | C29 | 116.1° | 116.1° |
| N20 | RU | C33 | C32 | 3.4° | 3.4° |
| N20 | RU | C33 | C30 | 79.7° | 79.7° |
| N20 | RU | C31 | C29 | 154.0° | 154.0° |
| N20 | RU | C31 | C32 | 122.9° | 122.9° |
| N20 | RU | C31 | C30 | 118.2° | 118.2° |
| N20 | RU | C27 | O28 | 41.1° | 41.1° |
| N20 | RU | C30 | C29 | 177.6° | 177.6° |
| N20 | RU | C29 | C32 | 86.0° | 86.0° |
| N20 | RU | C30 | C34 | 55.9° | 55.9° |
| N20 | RU | C32 | C30 | 96.5° | 96.5° |
| N20 | RU | C29 | H20 | 119.8° | 119.8° |
| N20 | RU | C31 | H21 | 2.2° | 2.2° |
| N20 | RU | C32 | H22 | 60.7° | 60.7° |
| N20 | RU | C33 | H23 | 126.1° | 126.1° |
| N21 | RU | C27 | C33 | 98.2° | 98.2° |
| N21 | RU | C27 | C31 | 176.9° | 176.9° |
| N21 | RU | C27 | C29 | 135.3° | 135.3° |
| N21 | RU | C27 | C32 | 96.5° | 96.5° |
| N21 | RU | C27 | C30 | 171.4° | 171.4° |
| N21 | RU | C33 | C31 | 123.3° | 123.3° |
| N21 | RU | C33 | C29 | 155.4° | 155.4° |
| N21 | RU | C33 | C32 | 85.1° | 85.1° |
| N21 | RU | C33 | C30 | 168.2° | 168.2° |
| N21 | RU | C31 | C29 | 130.8° | 130.8° |
| N21 | RU | C31 | C32 | 47.7° | 47.7° |
| N21 | RU | C31 | C30 | 166.5° | 166.5° |
| N21 | RU | C27 | O28 | 124.3° | 124.3° |
| N21 | RU | C30 | C29 | 81.4° | 81.4° |
| N21 | RU | C29 | C32 | 71.9° | 71.9° |
| N21 | RU | C30 | C34 | 156.9° | 156.9° |
| N21 | RU | C32 | C30 | 179.7° | 179.7° |
| N21 | RU | C29 | H20 | 82.3° | 82.3° |
| N21 | RU | C31 | H21 | 73.0° | 73.0° |
| N21 | RU | C32 | H22 | 23.1° | 23.1° |
| N21 | RU | C33 | H23 | 37.6° | 37.6° |
| C27 | RU | C33 | C31 | 143.0° | 143.0° |
| C27 | RU | C33 | C29 | 61.8° | 61.8° |
| C27 | RU | C33 | C32 | 178.8° | 178.8° |
| C27 | RU | C33 | C30 | 98.1° | 98.1° |
| C27 | RU | C31 | C29 | 52.9° | 52.9° |
| C27 | RU | C31 | C32 | 136.0° | 136.0° |
| C27 | RU | C31 | C30 | 17.2° | 17.2° |
| C27 | RU | C30 | C29 | 69.5° | 69.5° |
| C27 | RU | C29 | C32 | 162.1° | 162.1° |
| C27 | RU | C30 | C34 | 52.2° | 52.2° |
| C27 | RU | C32 | C30 | 83.8° | 83.8° |
| C27 | RU | C29 | H20 | 7.9° | 7.9° |
| C27 | RU | C31 | H21 | 103.2° | 103.2° |
| C27 | RU | C32 | H22 | 119.0° | 119.0° |
| C27 | RU | C33 | H23 | 56.1° | 56.1° |
| C33 | RU | C31 | C29 | 46.8° | 46.8° |
| C33 | RU | C31 | C32 | 36.2° | 36.2° |
| C33 | RU | C31 | C30 | 82.6° | 82.6° |
| C33 | RU | C27 | O28 | 137.5° | 137.5° |
| RU | C33 | C29 | C32 | 60.2° | 60.2° |
| RU | C33 | C29 | H23 | 105.2° | 105.2° |
| C33 | RU | C29 | C30 | 118.4° | 118.4° |
| C33 | RU | C30 | C34 | 162.0° | 162.0° |
| RU | C33 | C32 | H23 | 105.8° | 105.8° |
| C33 | RU | C32 | C30 | 81.3° | 81.3° |
| C33 | RU | C29 | H20 | 118.3° | 118.3° |
| C33 | RU | C31 | H21 | 157.0° | 157.0° |
| C33 | RU | C32 | H22 | 121.4° | 121.4° |
| C31 | RU | C27 | O28 | 52.6° | 52.6° |
| C31 | RU | C29 | C30 | 38.1° | 38.1° |
| C31 | RU | C29 | C32 | 44.4° | 44.4° |
| RU | C31 | C30 | C32 | 59.4° | 59.4° |
| RU | C31 | C30 | H21 | 105.7° | 105.7° |
| C31 | RU | C30 | C34 | 117.9° | 117.9° |
| RU | C31 | C32 | H21 | 105.7° | 105.7° |
| C31 | RU | C29 | H20 | 161.4° | 161.4° |
| C31 | RU | C32 | H22 | 118.8° | 118.8° |
| C31 | RU | C33 | H23 | 160.9° | 160.9° |
| O28 | C27 | RU | C29 | 100.4° | 100.4° |
| O28 | C27 | RU | C32 | 139.2° | 139.2° |
| O28 | C27 | RU | C30 | 64.3° | 64.3° |
| C33 | C29 | C30 | H20 | 164.2° | 164.2° |
| C33 | C29 | C30 | C31 | 0.1° | 0.1° |
| C33 | C29 | C30 | C34 | 179.8° | 179.8° |
| C29 | C33 | C32 | C31 | 0.1° | 0.1° |
| C29 | C33 | C32 | H23 | 164.7° | 164.7° |
| C29 | C33 | C32 | H22 | 163.2° | 163.2° |
| C30 | C29 | RU | H20 | 123.4° | 123.4° |
| C29 | C30 | C31 | C34 | 179.8° | 179.8° |
| C29 | C30 | C34 | RU | 92.1° | 92.1° |
| C29 | C30 | C31 | C32 | 0.0° | 0.0° |
| C30 | C29 | C33 | C32 | 0.1° | 0.1° |
| C29 | C30 | RU | C32 | 82.2° | 82.2° |
| C29 | C30 | C34 | N39 | 1.1° | 1.1° |
| C29 | C30 | C34 | O40 | 178.7° | 178.7° |
| C29 | C30 | C31 | H21 | 165.0° | 165.0° |
| C30 | C29 | C33 | H23 | 165.3° | 165.3° |
| C29 | RU | C31 | H21 | 156.2° | 156.2° |
| C29 | RU | C32 | H22 | 161.0° | 161.0° |
| C30 | C31 | C32 | H21 | 165.0° | 165.0° |
| C30 | C31 | C32 | C33 | 0.0° | 0.0° |
| C31 | C30 | C34 | N39 | 178.7° | 178.7° |
| C31 | C30 | C34 | O40 | 1.6° | 1.6° |
| C31 | C30 | C29 | H20 | 164.2° | 164.2° |
| C30 | C31 | C32 | H22 | 163.7° | 163.7° |
| C34 | C30 | C31 | C32 | 179.8° | 179.8° |
| C34 | C30 | RU | C32 | 156.0° | 156.0° |
| C30 | C34 | N39 | O40 | 179.8° | 179.8° |
| C30 | C34 | N39 | C35 | 177.1° | 177.1° |
| C30 | C34 | N39 | HN39 | 3.0° | 3.0° |
| C34 | C30 | C29 | H20 | 16.0° | 16.0° |
| C34 | C30 | C31 | H21 | 15.2° | 15.2° |
| C31 | C32 | C33 | H22 | 163.2° | 163.2° |
| C31 | C32 | C33 | H23 | 164.6° | 164.6° |
| C32 | C33 | C29 | H20 | 165.1° | 165.1° |
| C33 | C32 | C31 | H21 | 164.9° | 164.9° |
| C32 | RU | C29 | H20 | 154.2° | 154.2° |
| C34 | N39 | C35 | C38 | 141.8° | 141.8° |
| C34 | N39 | C35 | HN39 | 180.0° | 180.0° |
| C34 | N39 | C35 | C37 | 21.1° | 21.1° |
| C34 | N39 | C35 | C36 | 101.1° | 101.1° |
| N39 | C34 | C30 | RU | 93.1° | 93.1° |
| O40 | C34 | N39 | C35 | 3.2° | 3.2° |
| O40 | C34 | N39 | HN39 | 176.8° | 176.8° |
| O40 | C34 | C30 | RU | 86.6° | 86.6° |
| C38 | C35 | N39 | C37 | 120.6° | 120.6° |
| C38 | C35 | N39 | C36 | 117.1° | 117.1° |
| C38 | C35 | C37 | C36 | 120.0° | 120.0° |
| C38 | C35 | C36 | H36 | 180.0° | 180.0° |
| C38 | C35 | C36 | H36A | 60.0° | 60.0° |
| C38 | C35 | C36 | H36B | 60.0° | 60.0° |
| C38 | C35 | C37 | O41 | 72.1° | 72.1° |
| C38 | C35 | C37 | H37 | 167.7° | 167.7° |
| C38 | C35 | C37 | H37A | 48.0° | 48.0° |
| C35 | C38 | O42 | H38 | 120.0° | 120.0° |
| C35 | C38 | O42 | H38A | 120.0° | 120.0° |
| C35 | C38 | H38 | H38A | 120.0° | 120.0° |
| C38 | C35 | N39 | HN39 | 38.2° | 38.2° |
| C35 | C38 | O42 | HO42 | 180.0° | 180.0° |
| N39 | C35 | C37 | C36 | 121.4° | 121.4° |
| N39 | C35 | C36 | H36 | 66.0° | 66.0° |
| N39 | C35 | C36 | H36A | 54.0° | 54.0° |
| N39 | C35 | C36 | H36B | 174.0° | 174.0° |
| N39 | C35 | C37 | O41 | 46.4° | 46.4° |
| N39 | C35 | C37 | H37 | 73.7° | 73.7° |
| N39 | C35 | C37 | H37A | 166.5° | 166.5° |
| N39 | C35 | C38 | O42 | 47.9° | 47.9° |
| N39 | C35 | C38 | H38 | 72.2° | 72.1° |
| N39 | C35 | C38 | H38A | 167.9° | 167.9° |
| C37 | C35 | C36 | H36 | 60.4° | 60.4° |
| C37 | C35 | C36 | H36A | 179.6° | 179.6° |
| C37 | C35 | C36 | H36B | 59.6° | 59.6° |
| C35 | C37 | O41 | H37 | 120.2° | 120.1° |
| C35 | C37 | O41 | H37A | 120.1° | 120.1° |
| C35 | C37 | H37 | H37A | 119.6° | 119.6° |
| C37 | C35 | C38 | O42 | 172.9° | 172.9° |
| C37 | C35 | C38 | H38 | 52.9° | 52.9° |
| C37 | C35 | C38 | H38A | 67.1° | 67.1° |
| C37 | C35 | N39 | HN39 | 158.9° | 158.9° |
| C35 | C37 | O41 | HO41 | 70.7° | 70.7° |
| C35 | C36 | H36 | H36A | 120.0° | 120.0° |
| C35 | C36 | H36 | H36B | 120.0° | 120.0° |
| C35 | C36 | H36A | H36B | 120.0° | 120.0° |
| C36 | C35 | C37 | O41 | 167.8° | 167.8° |
| C36 | C35 | C37 | H37 | 47.7° | 47.7° |
| C36 | C35 | C37 | H37A | 72.1° | 72.1° |
| C36 | C35 | C38 | O42 | 67.6° | 67.6° |
| C36 | C35 | C38 | H38 | 172.4° | 172.4° |
| C36 | C35 | C38 | H38A | 52.4° | 52.4° |
| C36 | C35 | N39 | HN39 | 78.9° | 78.9° |
| H36 | C36 | H36A | H36B | 120.0° | 120.0° |
| O41 | C37 | H37 | H37A | 119.6° | 119.6° |
| H37 | C37 | O41 | HO41 | 49.5° | 49.5° |
| H37A | C37 | O41 | HO41 | 169.2° | 169.2° |
| O42 | C38 | H38 | H38A | 120.1° | 120.0° |
| H38 | C38 | O42 | HO42 | 60.0° | 60.0° |
| H38A | C38 | O42 | HO42 | 60.0° | 60.0° |
| C30 | RU | C32 | H22 | 157.2° | 157.2° |
| C30 | RU | C33 | H23 | 154.2° | 154.2° |
| H20 | C29 | C33 | H23 | 0.3° | 0.3° |
| H21 | C31 | C32 | H22 | 1.3° | 1.3° |
| H22 | C32 | C33 | H23 | 1.4° | 1.4° |
