A8P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.50Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C8 | C7 | sing | 1.53Å | 1.49Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | N9 | sing | 1.46Å | 1.26Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C10 | N9 | sing | 1.38Å | 1.35Å | |
| N11 | C10 | doub | 1.31Å | 1.31Å | Aromatic |
| C10 | N18 | sing | 1.37Å | 1.38Å | Aromatic |
| C12 | N11 | sing | 1.36Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.40Å | 1.42Å | Aromatic |
| C12 | C17 | sing | 1.40Å | 1.38Å | Aromatic |
| N44 | C13 | sing | 1.39Å | 1.35Å | |
| C13 | N14 | sing | 1.33Å | 1.34Å | Aromatic |
| N14 | C15 | doub | 1.32Å | 1.33Å | Aromatic |
| C15 | N16 | sing | 1.32Å | 1.33Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | N16 | doub | 1.33Å | 1.32Å | Aromatic |
| C17 | N18 | sing | 1.38Å | 1.38Å | Aromatic |
| N18 | C19 | sing | 1.47Å | 1.47Å | |
| C20 | C19 | sing | 1.54Å | 1.53Å | |
| C19 | O23 | sing | 1.44Å | 1.41Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| O43 | C20 | sing | 1.43Å | 1.43Å | |
| C20 | C21 | sing | 1.55Å | 1.54Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | O42 | sing | 1.43Å | 1.42Å | |
| C21 | C22 | sing | 1.54Å | 1.51Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| O23 | C22 | sing | 1.44Å | 1.43Å | |
| C22 | C24 | sing | 1.53Å | 1.50Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| O25 | C24 | sing | 1.43Å | 1.43Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| O25 | P26 | sing | 1.61Å | 1.57Å | |
| O28 | P26 | doub | 1.48Å | 1.53Å | |
| O27 | P26 | sing | 1.61Å | 1.48Å | |
| P26 | O29 | sing | 1.61Å | 1.59Å | |
| O27 | HO27 | sing | 0.97Å | 0.95Å | |
| O29 | P30 | sing | 1.61Å | 1.59Å | |
| O32 | P30 | doub | 1.48Å | 1.53Å | |
| P30 | O33 | sing | 1.61Å | 1.58Å | |
| P30 | O31 | sing | 1.61Å | 1.49Å | |
| O31 | HO31 | sing | 0.97Å | 0.95Å | |
| O33 | C34 | sing | 1.43Å | 1.45Å | |
| C35 | C34 | sing | 1.53Å | 1.50Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| N39 | C35 | sing | 1.49Å | 1.47Å | |
| C35 | C36 | sing | 1.54Å | 1.53Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | C36 | sing | 1.54Å | 1.53Å | |
| C36 | O41 | sing | 1.43Å | 1.45Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C38 | C37 | sing | 1.54Å | 1.53Å | |
| C37 | O40 | sing | 1.43Å | 1.43Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| N39 | C38 | sing | 1.49Å | 1.48Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| N39 | H39A | sing | 1.01Å | 1.00Å | |
| O40 | HO40 | sing | 0.97Å | 0.95Å | |
| O41 | HO41 | sing | 0.97Å | 0.95Å | |
| O42 | HO42 | sing | 0.97Å | 0.95Å | |
| O43 | HO43 | sing | 0.97Å | 0.95Å | |
| N44 | HN44 | sing | 0.97Å | 1.00Å | |
| N44 | HN4A | sing | 0.97Å | 1.00Å | |
| N9 | H9 | sing | 0.97Å | 1.00Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| N39 | H39B | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C1 | C2 | C3 | 116.9° | 109.5° |
| C1 | C2 | H2 | 107.6° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C1 | C2 | H2A | 107.5° | 109.4° |
| H1 | C1 | H1A | 109.5° | 109.4° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| C3 | C2 | H2 | 107.6° | 109.5° |
| C2 | C3 | C4 | 117.4° | 109.5° |
| C2 | C3 | H3 | 107.5° | 109.5° |
| C2 | C3 | H3A | 107.5° | 109.5° |
| C3 | C2 | H2A | 107.6° | 109.5° |
| H2 | C2 | H2A | 109.5° | 109.5° |
| C4 | C3 | H3 | 107.5° | 109.4° |
| C4 | C3 | H3A | 107.5° | 109.5° |
| C3 | C4 | C5 | 117.3° | 109.5° |
| C3 | C4 | H4 | 107.5° | 109.4° |
| C3 | C4 | H4A | 107.5° | 109.5° |
| H3 | C3 | H3A | 109.5° | 109.4° |
| C5 | C4 | H4 | 107.5° | 109.5° |
| C5 | C4 | H4A | 107.5° | 109.5° |
| C4 | C5 | C6 | 110.6° | 109.5° |
| C4 | C5 | H5 | 109.2° | 109.5° |
| C4 | C5 | H5A | 109.2° | 109.4° |
| H4 | C4 | H4A | 109.5° | 109.4° |
| C6 | C5 | H5 | 109.2° | 109.5° |
| C6 | C5 | H5A | 109.2° | 109.5° |
| C5 | C6 | C7 | 119.8° | 109.5° |
| C5 | C6 | H6 | 106.8° | 109.5° |
| C5 | C6 | H6A | 106.8° | 109.5° |
| H5 | C5 | H5A | 109.5° | 109.4° |
| C7 | C6 | H6 | 106.8° | 109.5° |
| C7 | C6 | H6A | 106.8° | 109.4° |
| C6 | C7 | C8 | 112.4° | 109.5° |
| C6 | C7 | H7 | 108.7° | 109.5° |
| C6 | C7 | H7A | 108.7° | 109.4° |
| H6 | C6 | H6A | 109.5° | 109.5° |
| C8 | C7 | H7 | 108.7° | 109.5° |
| C8 | C7 | H7A | 108.7° | 109.5° |
| C7 | C8 | N9 | 119.7° | 109.5° |
| C7 | C8 | H81 | 106.8° | 109.5° |
| C7 | C8 | H82 | 106.9° | 109.5° |
| H7 | C7 | H7A | 109.5° | 109.5° |
| N9 | C8 | H81 | 106.9° | 109.5° |
| C8 | N9 | C10 | 116.8° | 120.0° |
| C8 | N9 | H9 | 107.6° | 120.0° |
| N9 | C8 | H82 | 106.8° | 109.4° |
| H81 | C8 | H82 | 109.5° | 109.5° |
| N9 | C10 | N11 | 129.0° | 125.1° |
| N9 | C10 | N18 | 118.1° | 125.1° |
| C10 | N9 | H9 | 107.6° | 120.0° |
| N11 | C10 | N18 | 112.9° | 109.8° |
| C10 | N11 | C12 | 104.7° | 109.4° |
| C10 | N18 | C17 | 105.7° | 107.4° |
| C10 | N18 | C19 | 128.8° | 126.3° |
| N11 | C12 | C13 | 131.8° | 134.6° |
| N11 | C12 | C17 | 110.8° | 107.2° |
| C13 | C12 | C17 | 117.5° | 118.2° |
| C12 | C13 | N44 | 124.3° | 120.7° |
| C12 | C13 | N14 | 117.0° | 118.5° |
| C12 | C17 | N16 | 126.5° | 119.0° |
| C12 | C17 | N18 | 105.9° | 106.2° |
| N44 | C13 | N14 | 118.7° | 120.8° |
| C13 | N44 | HN44 | 109.5° | 120.0° |
| C13 | N44 | HN4A | 109.5° | 120.0° |
| C13 | N14 | C15 | 118.0° | 121.1° |
| N14 | C15 | N16 | 130.5° | 122.5° |
| N14 | C15 | H15 | 114.8° | 118.7° |
| N16 | C15 | H15 | 114.7° | 118.8° |
| C15 | N16 | C17 | 110.5° | 120.6° |
| N16 | C17 | N18 | 127.5° | 134.8° |
| C17 | N18 | C19 | 125.5° | 126.3° |
| N18 | C19 | C20 | 118.7° | 110.4° |
| N18 | C19 | O23 | 108.8° | 110.4° |
| N18 | C19 | H19 | 106.6° | 110.4° |
| C20 | C19 | O23 | 108.7° | 104.8° |
| C20 | C19 | H19 | 106.0° | 110.5° |
| C19 | C20 | O43 | 112.6° | 110.5° |
| C19 | C20 | C21 | 100.9° | 104.1° |
| C19 | C20 | H20 | 110.1° | 110.5° |
| O23 | C19 | H19 | 107.4° | 110.4° |
| C19 | O23 | C22 | 109.7° | 105.3° |
| O43 | C20 | C21 | 111.3° | 110.5° |
| O43 | C20 | H20 | 111.5° | 110.6° |
| C20 | O43 | HO43 | 109.5° | 114.0° |
| C21 | C20 | H20 | 109.9° | 110.5° |
| C20 | C21 | O42 | 113.9° | 110.5° |
| C20 | C21 | C22 | 103.6° | 104.1° |
| C20 | C21 | H21 | 109.5° | 110.5° |
| O42 | C21 | C22 | 108.3° | 110.5° |
| O42 | C21 | H21 | 111.3° | 110.4° |
| C21 | O42 | HO42 | 109.5° | 114.0° |
| C22 | C21 | H21 | 109.9° | 110.7° |
| C21 | C22 | O23 | 103.0° | 104.8° |
| C21 | C22 | C24 | 117.0° | 110.4° |
| C21 | C22 | H22 | 109.0° | 110.4° |
| O23 | C22 | C24 | 108.2° | 110.4° |
| O23 | C22 | H22 | 110.2° | 110.5° |
| C24 | C22 | H22 | 109.2° | 110.3° |
| C22 | C24 | O25 | 109.4° | 109.4° |
| C22 | C24 | H24 | 109.5° | 109.5° |
| C22 | C24 | H24A | 109.5° | 109.5° |
| O25 | C24 | H24 | 109.5° | 109.5° |
| O25 | C24 | H24A | 109.5° | 109.5° |
| C24 | O25 | P26 | 120.8° | 123.0° |
| H24 | C24 | H24A | 109.5° | 109.5° |
| O25 | P26 | O28 | 109.5° | 109.5° |
| O25 | P26 | O27 | 112.4° | 109.5° |
| O25 | P26 | O29 | 99.6° | 109.5° |
| O28 | P26 | O27 | 115.0° | 109.5° |
| O28 | P26 | O29 | 105.3° | 109.5° |
| O27 | P26 | O29 | 113.8° | 109.5° |
| P26 | O27 | HO27 | 109.5° | 114.0° |
| P26 | O29 | P30 | 133.9° | 134.0° |
| O29 | P30 | O32 | 108.5° | 109.5° |
| O29 | P30 | O33 | 101.1° | 109.5° |
| O29 | P30 | O31 | 110.6° | 109.5° |
| O32 | P30 | O33 | 109.8° | 109.4° |
| O32 | P30 | O31 | 115.2° | 109.5° |
| O33 | P30 | O31 | 110.7° | 109.5° |
| P30 | O33 | C34 | 120.8° | 123.0° |
| P30 | O31 | HO31 | 109.5° | 114.0° |
| O33 | C34 | C35 | 108.4° | 109.5° |
| O33 | C34 | H34 | 109.7° | 109.5° |
| O33 | C34 | H34A | 109.8° | 109.4° |
| C35 | C34 | H34 | 109.7° | 109.5° |
| C35 | C34 | H34A | 109.7° | 109.5° |
| C34 | C35 | N39 | 111.5° | 110.4° |
| C34 | C35 | C36 | 113.8° | 110.4° |
| C34 | C35 | H35 | 109.1° | 110.4° |
| H34 | C34 | H34A | 109.5° | 109.5° |
| N39 | C35 | C36 | 104.2° | 104.6° |
| N39 | C35 | H35 | 109.4° | 110.5° |
| C35 | N39 | C38 | 109.1° | 104.2° |
| C35 | N39 | H39A | 109.6° | 110.5° |
| C35 | N39 | H39B | 109.6° | 110.5° |
| C36 | C35 | H35 | 108.7° | 110.4° |
| C35 | C36 | C37 | 102.9° | 105.0° |
| C35 | C36 | O41 | 112.6° | 110.3° |
| C35 | C36 | H36 | 110.1° | 110.3° |
| C37 | C36 | O41 | 109.6° | 110.3° |
| C37 | C36 | H36 | 110.1° | 110.4° |
| C36 | C37 | C38 | 99.8° | 105.1° |
| C36 | C37 | O40 | 114.0° | 110.3° |
| C36 | C37 | H37 | 110.1° | 110.3° |
| O41 | C36 | H36 | 111.2° | 110.3° |
| C36 | O41 | HO41 | 109.5° | 114.0° |
| C38 | C37 | O40 | 110.5° | 110.3° |
| C38 | C37 | H37 | 110.2° | 110.4° |
| C37 | C38 | N39 | 102.0° | 104.6° |
| C37 | C38 | H38 | 111.3° | 110.4° |
| C37 | C38 | H38A | 111.3° | 110.4° |
| O40 | C37 | H37 | 111.7° | 110.2° |
| C37 | O40 | HO40 | 109.5° | 114.0° |
| N39 | C38 | H38 | 111.3° | 110.3° |
| N39 | C38 | H38A | 111.3° | 110.5° |
| C38 | N39 | H39A | 109.6° | 110.4° |
| C38 | N39 | H39B | 109.6° | 110.5° |
| H38 | C38 | H38A | 109.4° | 110.4° |
| H39A | N39 | H39B | 109.5° | 110.6° |
| HN44 | N44 | HN4A | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C2 | C3 | H2 | 121.1° | 120.0° |
| C1 | C2 | C3 | H2A | 121.1° | 120.0° |
| C1 | C2 | H2 | H2A | 116.6° | 120.0° |
| C1 | C2 | C3 | C4 | 42.9° | 180.0° |
| C1 | C2 | C3 | H3 | 164.0° | 60.0° |
| C1 | C2 | C3 | H3A | 78.3° | 60.0° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H1 | C1 | C2 | C3 | 180.0° | 180.0° |
| H1 | C1 | C2 | H2 | 58.9° | 60.0° |
| H1 | C1 | C2 | H2A | 58.9° | 60.1° |
| H1A | C1 | C2 | C3 | 60.0° | 60.0° |
| H1A | C1 | C2 | H2 | 61.1° | 60.0° |
| H1A | C1 | C2 | H2A | 178.9° | 180.0° |
| C3 | C2 | H2 | H2A | 116.6° | 120.0° |
| C2 | C3 | C4 | H3 | 121.2° | 120.0° |
| C2 | C3 | C4 | H3A | 121.1° | 120.1° |
| C2 | C3 | H3 | H3A | 116.4° | 120.0° |
| C2 | C3 | C4 | C5 | 116.5° | 180.0° |
| C2 | C3 | C4 | H4 | 122.4° | 60.0° |
| C2 | C3 | C4 | H4A | 4.6° | 59.9° |
| C3 | C2 | C1 | H1B | 60.0° | 60.0° |
| H2 | C2 | C3 | C4 | 78.2° | 60.0° |
| H2 | C2 | C3 | H3 | 42.9° | 180.0° |
| H2 | C2 | C3 | H3A | 160.6° | 60.0° |
| H2 | C2 | C1 | H1B | 178.9° | NaN° |
| C4 | C3 | H3 | H3A | 116.4° | 120.0° |
| C3 | C4 | C5 | H4 | 121.1° | 120.0° |
| C3 | C4 | C5 | H4A | 121.1° | 120.0° |
| C3 | C4 | H4 | H4A | 116.5° | 120.0° |
| C3 | C4 | C5 | C6 | 162.9° | 180.0° |
| C3 | C4 | C5 | H5 | 77.0° | 60.0° |
| C3 | C4 | C5 | H5A | 42.7° | 59.9° |
| C4 | C3 | C2 | H2A | 163.9° | 60.0° |
| H3 | C3 | C4 | C5 | 4.6° | 60.0° |
| H3 | C3 | C4 | H4 | 116.5° | 180.0° |
| H3 | C3 | C4 | H4A | 125.7° | 60.1° |
| H3 | C3 | C2 | H2A | 74.9° | 59.9° |
| H3A | C3 | C4 | C5 | 122.3° | 60.0° |
| H3A | C3 | C4 | H4 | 1.2° | 60.1° |
| H3A | C3 | C4 | H4A | 116.6° | 180.0° |
| H3A | C3 | C2 | H2A | 42.8° | 179.9° |
| C5 | C4 | H4 | H4A | 116.4° | 120.0° |
| C4 | C5 | C6 | H5 | 120.2° | 120.0° |
| C4 | C5 | C6 | H5A | 120.2° | 120.0° |
| C4 | C5 | H5 | H5A | 119.5° | 119.9° |
| C4 | C5 | C6 | C7 | 141.1° | 180.0° |
| C4 | C5 | C6 | H6 | 97.4° | 60.0° |
| C4 | C5 | C6 | H6A | 19.7° | 60.0° |
| H4 | C4 | C5 | C6 | 41.7° | 60.0° |
| H4 | C4 | C5 | H5 | 161.9° | 180.0° |
| H4 | C4 | C5 | H5A | 78.4° | 60.0° |
| H4A | C4 | C5 | C6 | 76.0° | 60.0° |
| H4A | C4 | C5 | H5 | 44.1° | 60.0° |
| H4A | C4 | C5 | H5A | 163.8° | 180.0° |
| C6 | C5 | H5 | H5A | 119.5° | 120.0° |
| C5 | C6 | C7 | H6 | 121.5° | 120.0° |
| C5 | C6 | C7 | H6A | 121.4° | 120.0° |
| C5 | C6 | H6 | H6A | 115.3° | 120.0° |
| C5 | C6 | C7 | C8 | 109.1° | 180.0° |
| C5 | C6 | C7 | H7 | 11.4° | 60.0° |
| C5 | C6 | C7 | H7A | 130.5° | 60.0° |
| H5 | C5 | C6 | C7 | 20.9° | 60.0° |
| H5 | C5 | C6 | H6 | 142.4° | NaN° |
| H5 | C5 | C6 | H6A | 100.5° | 60.0° |
| H5A | C5 | C6 | C7 | 98.7° | 60.0° |
| H5A | C5 | C6 | H6 | 22.8° | 60.0° |
| H5A | C5 | C6 | H6A | 139.9° | 180.0° |
| C7 | C6 | H6 | H6A | 115.3° | 120.0° |
| C6 | C7 | C8 | H7 | 120.4° | 120.0° |
| C6 | C7 | C8 | H7A | 120.4° | 120.0° |
| C6 | C7 | H7 | H7A | 118.6° | 120.0° |
| C6 | C7 | C8 | N9 | 75.8° | 180.0° |
| C6 | C7 | C8 | H81 | 162.8° | 60.0° |
| C6 | C7 | C8 | H82 | 45.7° | 60.0° |
| H6 | C6 | C7 | C8 | 129.5° | 60.0° |
| H6 | C6 | C7 | H7 | 110.1° | NaN° |
| H6 | C6 | C7 | H7A | 9.0° | 60.0° |
| H6A | C6 | C7 | C8 | 12.4° | 60.0° |
| H6A | C6 | C7 | H7 | 132.9° | 60.0° |
| H6A | C6 | C7 | H7A | 108.0° | 180.0° |
| C8 | C7 | H7 | H7A | 118.7° | 120.0° |
| C7 | C8 | N9 | H81 | 121.4° | 120.0° |
| C7 | C8 | N9 | H82 | 121.5° | 120.0° |
| C7 | C8 | H81 | H82 | 115.4° | 120.0° |
| C7 | C8 | N9 | C10 | 167.7° | 180.0° |
| C7 | C8 | N9 | H9 | 46.7° | 0.0° |
| H7 | C7 | C8 | N9 | 44.7° | 60.0° |
| H7 | C7 | C8 | H81 | 76.8° | NaN° |
| H7 | C7 | C8 | H82 | 166.1° | 60.0° |
| H7A | C7 | C8 | N9 | 163.8° | 60.0° |
| H7A | C7 | C8 | H81 | 42.4° | 60.0° |
| H7A | C7 | C8 | H82 | 74.7° | 180.0° |
| N9 | C8 | H81 | H82 | 115.3° | 120.0° |
| C8 | N9 | C10 | H9 | 121.0° | 180.0° |
| C8 | N9 | C10 | N11 | 11.3° | 0.3° |
| C8 | N9 | C10 | N18 | 167.0° | 180.0° |
| H81 | C8 | N9 | C10 | 70.9° | 60.0° |
| H81 | C8 | N9 | H9 | 168.1° | 120.0° |
| N9 | C10 | N11 | N18 | 178.4° | 179.7° |
| N9 | C10 | N11 | C12 | 179.3° | 180.0° |
| N9 | C10 | N18 | C17 | 179.7° | 179.9° |
| N9 | C10 | N18 | C19 | 2.8° | 0.0° |
| C10 | N9 | C8 | H82 | 46.2° | 60.0° |
| C10 | N11 | C12 | C13 | 178.6° | 180.0° |
| C10 | N11 | C12 | C17 | 0.3° | 0.0° |
| N11 | C10 | N18 | C17 | 1.1° | 0.4° |
| N11 | C10 | N18 | C19 | 178.7° | 179.7° |
| N11 | C10 | N9 | H9 | 132.3° | 179.7° |
| N18 | C10 | N11 | C12 | 0.9° | 0.3° |
| C10 | N18 | C17 | C12 | 0.9° | 0.4° |
| C10 | N18 | C17 | N16 | 178.6° | 179.9° |
| C10 | N18 | C17 | C19 | 177.6° | 179.9° |
| C10 | N18 | C19 | C20 | 54.1° | 108.2° |
| C10 | N18 | C19 | O23 | 70.9° | 136.5° |
| C10 | N18 | C19 | H19 | 173.5° | 14.2° |
| N18 | C10 | N9 | H9 | 46.0° | 0.0° |
| N11 | C12 | C13 | C17 | 178.8° | 180.0° |
| N11 | C12 | C13 | N44 | 1.5° | 0.0° |
| N11 | C12 | C13 | N14 | 178.7° | 180.0° |
| N11 | C12 | C17 | N16 | 179.1° | 180.0° |
| N11 | C12 | C17 | N18 | 0.4° | 0.2° |
| C12 | C13 | N44 | N14 | 179.8° | 180.0° |
| C12 | C13 | N14 | C15 | 0.4° | 0.1° |
| C13 | C12 | C17 | N16 | 0.0° | 0.0° |
| C13 | C12 | C17 | N18 | 179.4° | 179.8° |
| C12 | C13 | N44 | HN44 | 179.8° | 0.0° |
| C12 | C13 | N44 | HN4A | 60.2° | 180.0° |
| C17 | C12 | C13 | N44 | 179.7° | 180.0° |
| C17 | C12 | C13 | N14 | 0.1° | 0.0° |
| C12 | C17 | N16 | C15 | 0.1° | 0.1° |
| C12 | C17 | N16 | N18 | 179.3° | 179.7° |
| C12 | C17 | N18 | C19 | 178.5° | 179.7° |
| N44 | C13 | N14 | C15 | 179.4° | 180.0° |
| C13 | N44 | HN44 | HN4A | 120.0° | 180.0° |
| C13 | N14 | C15 | N16 | 0.7° | 0.0° |
| C13 | N14 | C15 | H15 | 179.3° | 180.0° |
| N14 | C13 | N44 | HN44 | 0.0° | 180.0° |
| N14 | C13 | N44 | HN4A | 120.0° | 0.0° |
| N14 | C15 | N16 | H15 | 180.0° | 180.0° |
| N14 | C15 | N16 | C17 | 0.5° | 0.0° |
| C15 | N16 | C17 | N18 | 179.5° | 179.6° |
| H15 | C15 | N16 | C17 | 179.4° | 180.0° |
| N16 | C17 | N18 | C19 | 0.9° | 0.0° |
| C17 | N18 | C19 | C20 | 128.9° | 71.7° |
| C17 | N18 | C19 | O23 | 106.2° | 43.7° |
| C17 | N18 | C19 | H19 | 9.4° | 165.9° |
| N18 | C19 | C20 | O23 | 125.0° | 118.8° |
| N18 | C19 | C20 | H19 | 119.8° | 122.3° |
| N18 | C19 | O23 | H19 | 115.1° | 122.3° |
| N18 | C19 | C20 | O43 | 128.7° | 98.6° |
| N18 | C19 | C20 | C21 | 112.5° | 142.8° |
| N18 | C19 | C20 | H20 | 3.6° | 24.1° |
| N18 | C19 | O23 | C22 | 142.1° | 159.3° |
| C20 | C19 | O23 | H19 | 114.3° | 118.9° |
| C19 | C20 | O43 | C21 | 112.5° | 114.7° |
| C19 | C20 | O43 | H20 | 124.3° | 122.7° |
| C19 | C20 | C21 | H20 | 116.2° | 118.6° |
| C19 | C20 | C21 | O42 | 147.6° | 118.6° |
| C19 | C20 | C21 | C22 | 30.2° | 0.0° |
| C19 | C20 | C21 | H21 | 87.0° | 118.8° |
| C20 | C19 | O23 | C22 | 11.5° | 40.5° |
| C19 | C20 | O43 | HO43 | 180.0° | 180.0° |
| O23 | C19 | C20 | O43 | 106.3° | 142.6° |
| O23 | C19 | C20 | C21 | 12.5° | 24.0° |
| O23 | C19 | C20 | H20 | 128.6° | 94.7° |
| C19 | O23 | C22 | C21 | 31.0° | 40.5° |
| C19 | O23 | C22 | C24 | 155.4° | 159.4° |
| C19 | O23 | C22 | H22 | 85.2° | 78.3° |
| H19 | C19 | C20 | O43 | 8.9° | 23.7° |
| H19 | C19 | C20 | C21 | 127.7° | 94.9° |
| H19 | C19 | C20 | H20 | 116.2° | 146.4° |
| H19 | C19 | O23 | C22 | 102.8° | 78.4° |
| O43 | C20 | C21 | H20 | 124.1° | 122.7° |
| O43 | C20 | C21 | O42 | 27.8° | 0.0° |
| O43 | C20 | C21 | C22 | 89.5° | 118.6° |
| O43 | C20 | C21 | H21 | 153.3° | 122.5° |
| C20 | C21 | O42 | C22 | 114.7° | 114.6° |
| C20 | C21 | O42 | H21 | 124.4° | 122.6° |
| C20 | C21 | C22 | H21 | 117.0° | 118.7° |
| C20 | C21 | C22 | O23 | 37.9° | 24.0° |
| C20 | C21 | C22 | C24 | 156.4° | 142.8° |
| C20 | C21 | C22 | H22 | 79.1° | 95.0° |
| C20 | C21 | O42 | HO42 | 180.0° | 61.4° |
| C21 | C20 | O43 | HO43 | 67.5° | 65.4° |
| H20 | C20 | C21 | O42 | 96.2° | 122.7° |
| H20 | C20 | C21 | C22 | 146.4° | 118.7° |
| H20 | C20 | C21 | H21 | 29.2° | 0.2° |
| H20 | C20 | O43 | HO43 | 55.7° | 57.3° |
| O42 | C21 | C22 | H21 | 121.8° | 122.6° |
| O42 | C21 | C22 | O23 | 159.1° | 142.6° |
| O42 | C21 | C22 | C24 | 82.4° | 98.6° |
| O42 | C21 | C22 | H22 | 42.1° | 23.7° |
| C21 | C22 | O23 | C24 | 124.4° | 118.8° |
| C21 | C22 | O23 | H22 | 116.2° | 118.9° |
| C21 | C22 | C24 | H22 | 124.4° | 122.3° |
| C21 | C22 | C24 | O25 | 55.5° | 175.0° |
| C21 | C22 | C24 | H24 | 175.5° | 55.0° |
| C21 | C22 | C24 | H24A | 64.5° | 65.0° |
| C22 | C21 | O42 | HO42 | 65.3° | 176.1° |
| H21 | C21 | C22 | O23 | 79.1° | 94.7° |
| H21 | C21 | C22 | C24 | 39.4° | 24.1° |
| H21 | C21 | C22 | H22 | 163.9° | 146.3° |
| H21 | C21 | O42 | HO42 | 55.6° | 61.1° |
| O23 | C22 | C24 | H22 | 120.0° | 122.4° |
| O23 | C22 | C24 | O25 | 60.1° | 69.6° |
| O23 | C22 | C24 | H24 | 59.9° | 170.4° |
| O23 | C22 | C24 | H24A | 179.9° | 50.4° |
| C22 | C24 | O25 | H24 | 120.0° | 120.0° |
| C22 | C24 | O25 | H24A | 120.0° | 120.0° |
| C22 | C24 | H24 | H24A | 120.0° | 120.0° |
| C22 | C24 | O25 | P26 | 164.1° | 180.0° |
| H22 | C22 | C24 | O25 | 179.9° | 52.8° |
| H22 | C22 | C24 | H24 | 60.1° | 67.2° |
| H22 | C22 | C24 | H24A | 59.9° | 172.8° |
| O25 | C24 | H24 | H24A | 120.0° | 120.1° |
| C24 | O25 | P26 | O28 | 159.7° | 55.0° |
| C24 | O25 | P26 | O27 | 71.2° | 65.0° |
| C24 | O25 | P26 | O29 | 49.6° | 175.0° |
| H24 | C24 | O25 | P26 | 75.9° | 60.0° |
| H24A | C24 | O25 | P26 | 44.1° | 60.0° |
| O25 | P26 | O28 | O27 | 127.6° | 120.0° |
| O25 | P26 | O28 | O29 | 106.3° | 120.0° |
| O25 | P26 | O27 | O29 | 112.2° | 120.0° |
| O25 | P26 | O27 | HO27 | 126.1° | 60.0° |
| O25 | P26 | O29 | P30 | 131.9° | 160.0° |
| O28 | P26 | O27 | O29 | 121.6° | 120.0° |
| O28 | P26 | O27 | HO27 | 0.0° | 180.0° |
| O28 | P26 | O29 | P30 | 114.7° | 40.0° |
| O27 | P26 | O29 | P30 | 12.2° | 80.0° |
| O29 | P26 | O27 | HO27 | 121.6° | 60.0° |
| P26 | O29 | P30 | O32 | 56.5° | 45.0° |
| P26 | O29 | P30 | O33 | 59.0° | 165.0° |
| P26 | O29 | P30 | O31 | 176.3° | 75.0° |
| O29 | P30 | O32 | O33 | 109.7° | 120.0° |
| O29 | P30 | O32 | O31 | 124.5° | 120.0° |
| O29 | P30 | O33 | O31 | 117.2° | 120.0° |
| O29 | P30 | O31 | HO31 | 123.4° | 60.0° |
| O29 | P30 | O33 | C34 | 108.0° | 175.0° |
| O32 | P30 | O33 | O31 | 128.3° | 120.0° |
| O32 | P30 | O31 | HO31 | 0.0° | 180.0° |
| O32 | P30 | O33 | C34 | 137.5° | 55.0° |
| O33 | P30 | O31 | HO31 | 125.3° | 60.0° |
| P30 | O33 | C34 | C35 | 171.0° | 180.0° |
| P30 | O33 | C34 | H34 | 51.2° | 60.0° |
| P30 | O33 | C34 | H34A | 69.2° | 60.0° |
| O31 | P30 | O33 | C34 | 9.2° | 65.0° |
| O33 | C34 | C35 | H34 | 119.8° | 120.0° |
| O33 | C34 | C35 | H34A | 119.8° | 120.0° |
| O33 | C34 | H34 | H34A | 120.5° | 120.0° |
| O33 | C34 | C35 | N39 | 55.7° | 69.9° |
| O33 | C34 | C35 | C36 | 173.2° | 175.0° |
| O33 | C34 | C35 | H35 | 65.3° | 52.6° |
| C35 | C34 | H34 | H34A | 120.5° | 120.0° |
| C34 | C35 | N39 | C36 | 123.2° | 118.7° |
| C34 | C35 | N39 | H35 | 120.8° | 122.4° |
| C34 | C35 | C36 | H35 | 121.7° | 122.3° |
| C34 | C35 | C36 | C37 | 94.5° | 142.6° |
| C34 | C35 | C36 | O41 | 147.6° | 98.5° |
| C34 | C35 | C36 | H36 | 22.9° | 23.7° |
| C34 | C35 | N39 | C38 | 124.1° | 158.3° |
| C34 | C35 | N39 | H39A | 116.0° | 83.1° |
| C34 | C35 | N39 | H39B | 4.2° | 39.6° |
| H34 | C34 | C35 | N39 | 64.1° | 50.2° |
| H34 | C34 | C35 | C36 | 53.4° | 65.0° |
| H34 | C34 | C35 | H35 | 174.9° | 172.6° |
| H34A | C34 | C35 | N39 | 175.6° | 170.2° |
| H34A | C34 | C35 | C36 | 66.9° | 55.0° |
| H34A | C34 | C35 | H35 | 54.6° | 67.4° |
| N39 | C35 | C36 | H35 | 116.6° | 118.9° |
| N39 | C35 | C36 | C37 | 27.2° | 23.9° |
| N39 | C35 | C36 | O41 | 90.7° | 142.8° |
| N39 | C35 | C36 | H36 | 144.6° | 95.1° |
| C35 | N39 | C38 | C37 | 28.6° | 39.5° |
| C35 | N39 | C38 | H39A | 119.9° | 118.6° |
| C35 | N39 | C38 | H39B | 119.9° | 118.7° |
| C35 | N39 | C38 | H38 | 147.4° | 158.3° |
| C35 | N39 | C38 | H38A | 90.2° | 79.3° |
| C35 | N39 | H39A | H39B | 120.2° | 122.7° |
| C35 | C36 | C37 | O41 | 120.0° | 118.9° |
| C35 | C36 | C37 | H36 | 117.3° | 118.9° |
| C35 | C36 | O41 | H36 | 124.1° | 122.2° |
| C35 | C36 | C37 | C38 | 44.0° | 0.0° |
| C35 | C36 | C37 | O40 | 161.8° | 118.9° |
| C35 | C36 | C37 | H37 | 71.8° | 119.1° |
| C36 | C35 | N39 | C38 | 0.9° | 39.5° |
| C36 | C35 | N39 | H39A | 120.9° | 158.1° |
| C35 | C36 | O41 | HO41 | 180.0° | 180.0° |
| C36 | C35 | N39 | H39B | 119.0° | 79.1° |
| H35 | C35 | C36 | C37 | 143.8° | 95.0° |
| H35 | C35 | C36 | O41 | 25.8° | 23.8° |
| H35 | C35 | C36 | H36 | 98.8° | 146.0° |
| H35 | C35 | N39 | C38 | 115.1° | 79.3° |
| H35 | C35 | N39 | H39A | 4.8° | 39.3° |
| H35 | C35 | N39 | H39B | 125.0° | 162.0° |
| C37 | C36 | O41 | H36 | 122.0° | 122.2° |
| C36 | C37 | C38 | O40 | 120.3° | 118.9° |
| C36 | C37 | C38 | H37 | 115.8° | 119.0° |
| C36 | C37 | O40 | H37 | 125.6° | 122.1° |
| C36 | C37 | C38 | N39 | 44.2° | 23.9° |
| C36 | C37 | C38 | H38 | 163.0° | 142.6° |
| C36 | C37 | C38 | H38A | 74.6° | 95.0° |
| C36 | C37 | O40 | HO40 | 180.0° | 180.0° |
| C37 | C36 | O41 | HO41 | 66.1° | 64.4° |
| O41 | C36 | C37 | C38 | 76.0° | 118.9° |
| O41 | C36 | C37 | O40 | 41.8° | 0.0° |
| O41 | C36 | C37 | H37 | 168.2° | 122.1° |
| H36 | C36 | C37 | C38 | 161.4° | 118.9° |
| H36 | C36 | C37 | O40 | 80.8° | 122.2° |
| H36 | C36 | C37 | H37 | 45.6° | 0.1° |
| H36 | C36 | O41 | HO41 | 55.9° | 57.8° |
| C38 | C37 | O40 | H37 | 123.0° | 122.2° |
| C37 | C38 | N39 | H38 | 118.8° | 118.8° |
| C37 | C38 | N39 | H38A | 118.8° | 118.9° |
| C37 | C38 | H38 | H38A | 123.5° | 122.4° |
| C37 | C38 | N39 | H39A | 148.6° | 158.2° |
| C38 | C37 | O40 | HO40 | 68.6° | 64.4° |
| C37 | C38 | N39 | H39B | 91.3° | 79.2° |
| O40 | C37 | C38 | N39 | 164.5° | 142.8° |
| O40 | C37 | C38 | H38 | 76.7° | 98.5° |
| O40 | C37 | C38 | H38A | 45.7° | 23.9° |
| H37 | C37 | C38 | N39 | 71.6° | 95.1° |
| H37 | C37 | C38 | H38 | 47.2° | 23.6° |
| H37 | C37 | C38 | H38A | 169.6° | 146.0° |
| H37 | C37 | O40 | HO40 | 54.4° | 57.9° |
| N39 | C38 | H38 | H38A | 123.5° | 122.5° |
| C38 | N39 | H39A | H39B | 120.2° | 122.6° |
| H38 | C38 | N39 | H39A | 92.6° | 83.1° |
| H38 | C38 | N39 | H39B | 27.5° | 39.6° |
| H38A | C38 | N39 | H39A | 29.8° | 39.3° |
| H38A | C38 | N39 | H39B | 149.9° | 162.0° |
| H9 | N9 | C8 | H82 | 74.8° | 120.0° |
| H1B | C1 | C2 | H2A | 61.1° | 60.0° |
