76L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C11 | doub | 1.21Å | 1.25Å | |
| C11 | O13 | sing | 1.34Å | 1.26Å | |
| C11 | C9 | sing | 1.51Å | 1.53Å | |
| O3 | C2 | sing | 1.43Å | 1.42Å | |
| C8 | C9 | sing | 1.53Å | 1.50Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C9 | N10 | sing | 1.47Å | 1.49Å | |
| C2 | C4 | sing | 1.53Å | 1.51Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | N5 | sing | 1.47Å | 1.52Å | |
| C6 | C14 | sing | 1.53Å | 1.52Å | |
| N5 | C4 | sing | 1.47Å | 1.48Å | |
| O21 | C20 | sing | 1.43Å | 1.43Å | |
| O19 | C18 | sing | 1.43Å | 1.42Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C15 | O16 | sing | 1.44Å | 1.45Å | |
| C15 | C20 | sing | 1.54Å | 1.53Å | |
| O16 | C17 | sing | 1.44Å | 1.44Å | |
| C20 | C18 | sing | 1.55Å | 1.54Å | |
| C18 | C17 | sing | 1.55Å | 1.55Å | |
| C17 | N22 | sing | 1.47Å | 1.46Å | |
| N22 | C23 | sing | 1.36Å | 1.37Å | Aromatic |
| N22 | C31 | sing | 1.37Å | 1.38Å | Aromatic |
| C23 | N24 | doub | 1.30Å | 1.31Å | Aromatic |
| N30 | C31 | doub | 1.33Å | 1.35Å | Aromatic |
| N30 | C29 | sing | 1.32Å | 1.33Å | Aromatic |
| C31 | C25 | sing | 1.41Å | 1.38Å | Aromatic |
| N24 | C25 | sing | 1.36Å | 1.39Å | Aromatic |
| C29 | N28 | doub | 1.32Å | 1.35Å | Aromatic |
| C25 | C26 | doub | 1.41Å | 1.41Å | Aromatic |
| N28 | C26 | sing | 1.33Å | 1.36Å | Aromatic |
| C26 | N27 | sing | 1.38Å | 1.34Å | |
| C1 | H45 | sing | 1.09Å | 1.10Å | |
| C1 | H46 | sing | 1.09Å | 1.10Å | |
| C1 | H44 | sing | 1.09Å | 1.10Å | |
| C2 | H32 | sing | 1.09Å | 1.10Å | |
| C6 | H35 | sing | 1.09Å | 1.10Å | |
| C7 | H50 | sing | 1.09Å | 1.10Å | |
| C7 | H51 | sing | 1.09Å | 1.10Å | |
| C8 | H52 | sing | 1.09Å | 1.10Å | |
| C8 | H53 | sing | 1.09Å | 1.10Å | |
| C14 | H54 | sing | 1.09Å | 1.10Å | |
| C14 | H55 | sing | 1.09Å | 1.10Å | |
| C15 | H40 | sing | 1.09Å | 1.10Å | |
| C23 | H58 | sing | 1.08Å | 1.08Å | |
| O3 | H47 | sing | 0.97Å | 0.95Å | |
| C4 | H49 | sing | 1.09Å | 1.10Å | |
| C4 | H48 | sing | 1.09Å | 1.10Å | |
| N5 | H33 | sing | 1.01Å | 1.00Å | |
| C9 | H36 | sing | 1.09Å | 1.10Å | |
| N10 | H37 | sing | 1.01Å | 1.00Å | |
| N10 | H39 | sing | 1.01Å | 1.00Å | |
| O13 | H1 | sing | 0.97Å | 0.95Å | |
| C17 | H41 | sing | 1.09Å | 1.10Å | |
| C18 | H42 | sing | 1.09Å | 1.10Å | |
| O19 | H56 | sing | 0.97Å | 0.95Å | |
| C20 | H43 | sing | 1.09Å | 1.10Å | |
| O21 | H57 | sing | 0.97Å | 0.95Å | |
| N27 | H60 | sing | 0.97Å | 1.00Å | |
| N27 | H59 | sing | 0.97Å | 1.00Å | |
| C29 | H61 | sing | 1.08Å | 1.08Å | |
| N5 | H34 | sing | 1.01Å | 1.00Å | |
| N10 | H38 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C11 | O13 | 125.3° | 120.0° |
| O12 | C11 | C9 | 117.1° | 120.0° |
| O13 | C11 | C9 | 117.5° | 120.0° |
| C11 | O13 | H1 | 109.5° | 117.0° |
| C11 | C9 | C8 | 113.9° | 109.4° |
| C11 | C9 | N10 | 110.8° | 109.5° |
| C11 | C9 | H36 | 107.1° | 109.5° |
| O3 | C2 | C4 | 105.0° | 109.5° |
| O3 | C2 | C1 | 110.8° | 109.5° |
| O3 | C2 | H32 | 110.6° | 109.5° |
| C2 | O3 | H47 | 109.5° | 114.0° |
| C9 | C8 | C7 | 112.8° | 109.5° |
| C8 | C9 | N10 | 109.7° | 109.4° |
| C9 | C8 | H52 | 108.6° | 109.5° |
| C9 | C8 | H53 | 108.6° | 109.5° |
| C8 | C9 | H36 | 107.5° | 109.5° |
| C8 | C7 | C6 | 112.9° | 109.5° |
| C8 | C7 | H50 | 108.6° | 109.5° |
| C8 | C7 | H51 | 108.6° | 109.5° |
| C7 | C8 | H52 | 108.7° | 109.5° |
| C7 | C8 | H53 | 108.6° | 109.5° |
| N10 | C9 | H36 | 107.6° | 109.5° |
| C9 | N10 | H37 | 109.5° | 109.5° |
| C9 | N10 | H39 | 109.5° | 109.4° |
| C9 | N10 | H38 | 109.5° | 109.5° |
| C4 | C2 | C1 | 111.6° | 109.4° |
| C2 | C4 | N5 | 110.0° | 109.5° |
| C4 | C2 | H32 | 109.4° | 109.5° |
| C2 | C4 | H49 | 109.3° | 109.5° |
| C2 | C4 | H48 | 109.4° | 109.5° |
| C2 | C1 | H45 | 109.5° | 109.5° |
| C2 | C1 | H46 | 109.5° | 109.5° |
| C2 | C1 | H44 | 109.5° | 109.5° |
| C1 | C2 | H32 | 109.3° | 109.5° |
| C7 | C6 | N5 | 107.6° | 109.5° |
| C7 | C6 | C14 | 111.6° | 109.5° |
| C7 | C6 | H35 | 108.3° | 109.5° |
| C6 | C7 | H50 | 108.6° | 109.5° |
| C6 | C7 | H51 | 108.6° | 109.4° |
| N5 | C6 | C14 | 112.5° | 109.5° |
| C6 | N5 | C4 | 117.6° | 109.5° |
| N5 | C6 | H35 | 108.4° | 109.4° |
| C6 | N5 | H33 | 107.4° | 109.4° |
| C6 | N5 | H34 | 107.4° | 109.5° |
| C6 | C14 | C15 | 115.8° | 109.5° |
| C14 | C6 | H35 | 108.3° | 109.5° |
| C6 | C14 | H54 | 107.9° | 109.5° |
| C6 | C14 | H55 | 107.9° | 109.4° |
| N5 | C4 | H49 | 109.4° | 109.5° |
| N5 | C4 | H48 | 109.3° | 109.5° |
| C4 | N5 | H33 | 107.4° | 109.5° |
| C4 | N5 | H34 | 107.4° | 109.5° |
| O21 | C20 | C15 | 109.6° | 110.4° |
| O21 | C20 | C18 | 112.7° | 110.5° |
| O21 | C20 | H43 | 111.7° | 110.5° |
| C20 | O21 | H57 | 109.5° | 113.9° |
| O19 | C18 | C20 | 112.3° | 111.0° |
| O19 | C18 | C17 | 111.3° | 110.9° |
| O19 | C18 | H42 | 111.7° | 110.8° |
| C18 | O19 | H56 | 109.5° | 114.0° |
| C14 | C15 | O16 | 113.1° | 109.9° |
| C14 | C15 | C20 | 111.5° | 109.9° |
| C15 | C14 | H54 | 107.9° | 109.5° |
| C15 | C14 | H55 | 107.9° | 109.5° |
| C14 | C15 | H40 | 108.6° | 109.9° |
| O16 | C15 | C20 | 105.3° | 107.3° |
| C15 | O16 | C17 | 110.4° | 107.0° |
| O16 | C15 | H40 | 109.6° | 109.8° |
| C15 | C20 | C18 | 102.2° | 104.2° |
| C20 | C15 | H40 | 108.5° | 110.1° |
| C15 | C20 | H43 | 110.2° | 110.5° |
| O16 | C17 | C18 | 105.9° | 103.5° |
| O16 | C17 | N22 | 108.3° | 110.6° |
| O16 | C17 | H41 | 110.6° | 110.6° |
| C20 | C18 | C17 | 101.2° | 102.1° |
| C20 | C18 | H42 | 109.9° | 110.9° |
| C18 | C20 | H43 | 110.0° | 110.5° |
| C18 | C17 | N22 | 112.5° | 110.6° |
| C18 | C17 | H41 | 109.1° | 110.8° |
| C17 | C18 | H42 | 109.9° | 110.9° |
| C17 | N22 | C23 | 126.1° | 126.3° |
| C17 | N22 | C31 | 127.1° | 126.3° |
| N22 | C17 | H41 | 110.3° | 110.6° |
| C23 | N22 | C31 | 106.6° | 107.4° |
| N22 | C23 | N24 | 112.4° | 110.0° |
| N22 | C23 | H58 | 123.8° | 125.0° |
| N22 | C31 | N30 | 127.7° | 134.9° |
| N22 | C31 | C25 | 105.9° | 106.1° |
| C23 | N24 | C25 | 105.0° | 109.4° |
| N24 | C23 | H58 | 123.8° | 125.0° |
| C31 | N30 | C29 | 111.9° | 120.6° |
| N30 | C31 | C25 | 126.3° | 119.0° |
| N30 | C29 | N28 | 127.9° | 122.5° |
| N30 | C29 | H61 | 116.1° | 118.7° |
| C31 | C25 | N24 | 110.0° | 107.1° |
| C31 | C25 | C26 | 117.5° | 118.2° |
| N24 | C25 | C26 | 132.5° | 134.7° |
| C29 | N28 | C26 | 118.9° | 121.2° |
| N28 | C29 | H61 | 116.1° | 118.8° |
| C25 | C26 | N28 | 117.5° | 118.4° |
| C25 | C26 | N27 | 122.6° | 120.8° |
| N28 | C26 | N27 | 119.9° | 120.8° |
| C26 | N27 | H60 | 109.5° | 120.0° |
| C26 | N27 | H59 | 109.4° | 120.0° |
| H45 | C1 | H46 | 109.5° | 109.5° |
| H45 | C1 | H44 | 109.4° | 109.4° |
| H46 | C1 | H44 | 109.5° | 109.5° |
| H50 | C7 | H51 | 109.5° | 109.5° |
| H52 | C8 | H53 | 109.5° | 109.5° |
| H54 | C14 | H55 | 109.5° | 109.4° |
| H49 | C4 | H48 | 109.5° | 109.4° |
| H33 | N5 | H34 | 109.5° | 109.4° |
| H37 | N10 | H39 | 109.5° | 109.5° |
| H37 | N10 | H38 | 109.5° | 109.5° |
| H39 | N10 | H38 | 109.4° | 109.4° |
| H60 | N27 | H59 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C11 | O13 | C9 | 178.8° | 179.9° |
| O12 | C11 | C9 | C8 | 51.5° | 100.1° |
| O12 | C11 | C9 | N10 | 175.7° | 19.9° |
| O12 | C11 | C9 | H36 | 67.2° | 139.9° |
| O12 | C11 | O13 | H1 | 0.0° | 0.1° |
| O13 | C11 | C9 | C8 | 129.6° | 80.1° |
| O13 | C11 | C9 | N10 | 5.4° | 160.0° |
| O13 | C11 | C9 | H36 | 111.7° | 40.0° |
| C11 | C9 | C8 | N10 | 124.8° | 120.0° |
| C11 | C9 | C8 | H36 | 118.5° | 120.0° |
| C11 | C9 | C8 | C7 | 158.8° | 175.0° |
| C11 | C9 | N10 | H36 | 116.7° | 120.1° |
| C11 | C9 | C8 | H52 | 38.2° | 65.0° |
| C11 | C9 | C8 | H53 | 80.7° | 55.0° |
| C11 | C9 | N10 | H37 | 180.0° | 59.9° |
| C11 | C9 | N10 | H39 | 60.0° | 60.1° |
| C9 | C11 | O13 | H1 | 178.8° | 180.0° |
| C11 | C9 | N10 | H38 | 60.0° | 180.0° |
| O3 | C2 | C4 | C1 | 120.2° | 120.0° |
| O3 | C2 | C4 | H32 | 118.8° | 120.0° |
| O3 | C2 | C1 | H32 | 122.2° | 120.0° |
| O3 | C2 | C4 | N5 | 61.0° | 60.0° |
| O3 | C2 | C1 | H45 | 180.0° | 60.0° |
| O3 | C2 | C1 | H46 | 60.0° | 60.1° |
| O3 | C2 | C1 | H44 | 60.0° | 179.9° |
| O3 | C2 | C4 | H49 | 178.9° | 60.0° |
| O3 | C2 | C4 | H48 | 59.1° | 180.0° |
| C9 | C8 | C7 | H52 | 120.5° | 120.0° |
| C9 | C8 | C7 | H53 | 120.5° | 120.0° |
| C8 | C9 | N10 | H36 | 116.6° | 120.0° |
| C9 | C8 | C7 | C6 | 173.9° | 177.1° |
| C9 | C8 | C7 | H50 | 65.6° | 62.9° |
| C9 | C8 | C7 | H51 | 53.4° | 57.2° |
| C9 | C8 | H52 | H53 | 118.5° | 120.0° |
| C8 | C9 | N10 | H37 | 53.4° | 60.0° |
| C8 | C9 | N10 | H39 | 66.6° | 180.0° |
| C8 | C9 | N10 | H38 | 173.4° | 60.0° |
| C7 | C8 | C9 | N10 | 76.4° | 65.0° |
| C8 | C7 | C6 | H50 | 120.5° | 120.0° |
| C8 | C7 | C6 | H51 | 120.5° | 120.0° |
| C8 | C7 | C6 | N5 | 143.7° | 174.1° |
| C8 | C7 | C6 | C14 | 92.4° | 65.9° |
| C8 | C7 | C6 | H35 | 26.8° | 54.1° |
| C8 | C7 | H50 | H51 | 118.4° | 120.1° |
| C7 | C8 | H52 | H53 | 118.5° | 120.0° |
| C7 | C8 | C9 | H36 | 40.3° | 55.0° |
| N10 | C9 | C8 | H52 | 163.1° | 55.0° |
| N10 | C9 | C8 | H53 | 44.1° | 175.0° |
| C9 | N10 | H37 | H39 | 120.0° | 120.0° |
| C9 | N10 | H37 | H38 | 120.1° | 120.0° |
| C9 | N10 | H39 | H38 | 120.0° | 120.0° |
| C4 | C2 | C1 | H32 | 121.1° | 120.0° |
| C2 | C4 | N5 | C6 | 151.9° | 174.8° |
| C2 | C4 | N5 | H49 | 120.1° | 120.0° |
| C2 | C4 | N5 | H48 | 120.1° | 120.0° |
| C4 | C2 | C1 | H45 | 63.3° | 60.0° |
| C4 | C2 | C1 | H46 | 56.7° | 180.0° |
| C4 | C2 | C1 | H44 | 176.7° | 60.0° |
| C4 | C2 | O3 | H47 | 180.0° | 60.0° |
| C2 | C4 | H49 | H48 | 119.8° | 120.0° |
| C2 | C4 | N5 | H33 | 86.9° | 54.8° |
| C2 | C4 | N5 | H34 | 30.8° | 65.1° |
| C1 | C2 | C4 | N5 | 59.2° | 180.0° |
| C2 | C1 | H45 | H46 | 120.0° | 120.0° |
| C2 | C1 | H45 | H44 | 120.0° | 120.0° |
| C2 | C1 | H46 | H44 | 120.0° | 120.0° |
| C1 | C2 | O3 | H47 | 59.3° | 59.9° |
| C1 | C2 | C4 | H49 | 60.9° | 60.0° |
| C1 | C2 | C4 | H48 | 179.2° | 60.0° |
| C7 | C6 | N5 | C14 | 123.4° | 120.1° |
| C7 | C6 | N5 | H35 | 116.9° | 120.0° |
| C7 | C6 | C14 | H35 | 119.1° | 120.0° |
| C7 | C6 | N5 | C4 | 164.8° | 65.7° |
| C7 | C6 | C14 | C15 | 58.3° | 175.0° |
| C6 | C7 | H50 | H51 | 118.4° | 119.9° |
| C6 | C7 | C8 | H52 | 53.4° | 57.1° |
| C6 | C7 | C8 | H53 | 65.5° | 62.9° |
| C7 | C6 | C14 | H54 | 62.7° | 55.0° |
| C7 | C6 | C14 | H55 | 179.2° | 65.0° |
| C7 | C6 | N5 | H33 | 43.6° | 174.3° |
| C7 | C6 | N5 | H34 | 74.0° | 54.4° |
| N5 | C6 | C14 | H35 | 119.7° | 119.9° |
| C6 | N5 | C4 | H33 | 121.2° | 120.0° |
| C6 | N5 | C4 | H34 | 121.1° | 120.1° |
| N5 | C6 | C14 | C15 | 179.4° | 65.0° |
| N5 | C6 | C7 | H50 | 95.8° | 54.0° |
| N5 | C6 | C7 | H51 | 23.2° | 65.9° |
| N5 | C6 | C14 | H54 | 58.5° | 175.0° |
| N5 | C6 | C14 | H55 | 59.7° | 55.0° |
| C6 | N5 | C4 | H49 | 88.0° | 54.8° |
| C6 | N5 | C4 | H48 | 31.8° | 65.1° |
| C6 | N5 | H33 | H34 | 116.3° | 120.0° |
| C14 | C6 | N5 | C4 | 41.4° | 174.3° |
| C6 | C14 | C15 | H54 | 120.9° | 120.0° |
| C6 | C14 | C15 | H55 | 120.9° | 120.0° |
| C6 | C14 | C15 | O16 | 76.7° | 66.4° |
| C6 | C14 | C15 | C20 | 164.8° | 175.7° |
| C14 | C6 | C7 | H50 | 28.1° | 174.0° |
| C14 | C6 | C7 | H51 | 147.1° | 54.1° |
| C6 | C14 | H54 | H55 | 117.1° | 119.9° |
| C6 | C14 | C15 | H40 | 45.2° | 54.5° |
| C14 | C6 | N5 | H33 | 79.8° | 54.3° |
| C14 | C6 | N5 | H34 | 162.6° | 65.7° |
| N5 | C4 | C2 | H32 | 179.8° | 60.0° |
| C4 | N5 | C6 | H35 | 78.3° | 54.3° |
| N5 | C4 | H49 | H48 | 119.8° | 120.0° |
| C4 | N5 | H33 | H34 | 116.3° | 120.0° |
| O21 | C20 | C18 | O19 | 36.5° | 20.4° |
| O21 | C20 | C15 | C14 | 84.3° | 119.9° |
| O21 | C20 | C15 | O16 | 152.6° | 120.7° |
| O21 | C20 | C15 | C18 | 119.7° | 118.7° |
| O21 | C20 | C15 | H43 | 123.3° | 122.6° |
| O21 | C20 | C18 | H43 | 125.4° | 122.7° |
| O21 | C20 | C18 | C17 | 155.3° | 97.8° |
| O21 | C20 | C15 | H40 | 35.3° | 1.3° |
| O21 | C20 | C18 | H42 | 88.6° | 144.0° |
| O19 | C18 | C20 | C15 | 81.1° | 139.1° |
| O19 | C18 | C17 | O16 | 89.4° | 155.3° |
| O19 | C18 | C20 | C17 | 118.8° | 118.2° |
| O19 | C18 | C20 | H42 | 125.0° | 123.6° |
| O19 | C18 | C17 | H42 | 124.3° | 123.6° |
| O19 | C18 | C17 | N22 | 152.5° | 86.2° |
| O19 | C18 | C17 | H41 | 29.7° | 36.7° |
| O19 | C18 | C20 | H43 | 161.8° | 102.2° |
| C14 | C15 | O16 | C20 | 122.1° | 119.4° |
| C14 | C15 | O16 | H40 | 121.4° | 121.0° |
| C14 | C15 | C20 | H40 | 119.6° | 121.1° |
| C14 | C15 | O16 | C17 | 136.4° | 146.0° |
| C14 | C15 | C20 | C18 | 155.9° | 121.5° |
| C15 | C14 | C6 | H35 | 60.9° | 55.0° |
| C15 | C14 | H54 | H55 | 117.1° | 120.0° |
| C14 | C15 | C20 | H43 | 39.0° | 2.7° |
| O16 | C15 | C20 | H40 | 117.3° | 119.5° |
| O16 | C15 | C20 | C18 | 32.8° | 2.0° |
| C15 | O16 | C17 | C18 | 10.3° | 40.1° |
| C15 | O16 | C17 | N22 | 110.6° | 158.5° |
| O16 | C15 | C14 | H54 | 44.3° | 53.6° |
| O16 | C15 | C14 | H55 | 162.4° | 173.6° |
| C15 | O16 | C17 | H41 | 128.4° | 78.6° |
| O16 | C15 | C20 | H43 | 84.1° | 116.7° |
| C20 | C15 | O16 | C17 | 14.3° | 26.5° |
| C15 | C20 | C18 | H43 | 117.1° | 118.7° |
| C15 | C20 | C18 | C17 | 37.7° | 20.9° |
| C20 | C15 | C14 | H54 | 74.2° | 64.2° |
| C20 | C15 | C14 | H55 | 43.9° | 55.7° |
| C15 | C20 | C18 | H42 | 153.9° | 97.3° |
| C15 | C20 | O21 | H57 | 180.0° | 180.0° |
| O16 | C17 | C18 | C20 | 30.1° | 37.0° |
| O16 | C17 | C18 | N22 | 118.1° | 118.5° |
| O16 | C17 | C18 | H41 | 119.1° | 118.6° |
| O16 | C17 | N22 | H41 | 121.2° | 122.9° |
| O16 | C17 | N22 | C23 | 9.0° | 23.5° |
| O16 | C17 | N22 | C31 | 177.7° | 156.5° |
| C17 | O16 | C15 | H40 | 102.3° | 93.1° |
| O16 | C17 | C18 | H42 | 146.3° | 81.1° |
| C20 | C18 | C17 | H42 | 116.2° | 118.1° |
| C20 | C18 | C17 | N22 | 88.0° | 155.5° |
| C18 | C20 | C15 | H40 | 84.4° | 117.4° |
| C20 | C18 | C17 | H41 | 149.2° | 81.5° |
| C20 | C18 | O19 | H56 | 180.0° | 67.2° |
| C18 | C20 | O21 | H57 | 66.9° | 65.2° |
| C18 | C17 | N22 | H41 | 122.1° | 123.1° |
| C18 | C17 | N22 | C23 | 107.7° | 90.5° |
| C18 | C17 | N22 | C31 | 65.6° | 89.5° |
| C17 | C18 | O19 | H56 | 67.3° | 180.0° |
| C17 | C18 | C20 | H43 | 79.3° | 139.5° |
| C17 | N22 | C23 | C31 | 174.4° | 180.0° |
| C17 | N22 | C23 | N24 | 177.6° | 180.0° |
| C17 | N22 | C31 | N30 | 6.9° | 0.2° |
| C17 | N22 | C31 | C25 | 177.1° | 179.7° |
| C17 | N22 | C23 | H58 | 2.4° | 0.2° |
| N22 | C17 | C18 | H42 | 28.2° | 37.4° |
| N22 | C23 | N24 | H58 | 180.0° | 179.8° |
| C23 | N22 | C31 | N30 | 178.8° | 179.8° |
| C23 | N22 | C31 | C25 | 2.7° | 0.3° |
| N22 | C23 | N24 | C25 | 2.2° | 0.3° |
| C23 | N22 | C17 | H41 | 130.2° | 146.4° |
| C31 | N22 | C23 | N24 | 3.2° | 0.0° |
| N22 | C31 | N30 | C25 | 175.2° | 179.9° |
| N22 | C31 | N30 | C29 | 179.3° | 180.0° |
| N22 | C31 | C25 | N24 | 1.5° | 0.5° |
| N22 | C31 | C25 | C26 | 179.1° | 180.0° |
| C31 | N22 | C23 | H58 | 176.8° | 179.7° |
| C31 | N22 | C17 | H41 | 56.6° | 33.6° |
| C23 | N24 | C25 | C31 | 0.4° | 0.5° |
| C23 | N24 | C25 | C26 | 178.9° | 179.9° |
| N30 | C31 | C25 | N24 | 177.6° | 179.6° |
| C31 | N30 | C29 | N28 | 2.5° | 0.1° |
| N30 | C31 | C25 | C26 | 3.0° | 0.1° |
| C31 | N30 | C29 | H61 | 177.5° | 179.9° |
| C29 | N30 | C31 | C25 | 4.1° | 0.1° |
| N30 | C29 | N28 | H61 | 180.0° | 180.0° |
| N30 | C29 | N28 | C26 | 0.0° | 0.1° |
| C31 | C25 | N24 | C26 | 179.3° | 179.4° |
| C31 | C25 | C26 | N28 | 0.1° | 0.0° |
| C31 | C25 | C26 | N27 | 178.4° | 180.0° |
| N24 | C25 | C26 | N28 | 179.3° | 179.4° |
| N24 | C25 | C26 | N27 | 0.8° | 0.6° |
| C25 | N24 | C23 | H58 | 177.8° | 180.0° |
| C29 | N28 | C26 | C25 | 1.3° | 0.0° |
| C29 | N28 | C26 | N27 | 179.8° | 180.0° |
| C25 | C26 | N28 | N27 | 178.5° | 180.0° |
| C25 | C26 | N27 | H60 | 178.4° | 0.0° |
| C25 | C26 | N27 | H59 | 61.5° | 180.0° |
| N28 | C26 | N27 | H60 | 0.0° | 180.0° |
| N28 | C26 | N27 | H59 | 120.0° | 0.0° |
| C26 | N28 | C29 | H61 | 180.0° | 180.0° |
| C26 | N27 | H60 | H59 | 120.0° | 180.0° |
| H45 | C1 | H46 | H44 | 120.0° | 120.0° |
| H45 | C1 | C2 | H32 | 57.8° | 180.0° |
| H46 | C1 | C2 | H32 | 177.8° | 60.0° |
| H44 | C1 | C2 | H32 | 62.2° | 60.0° |
| H32 | C2 | O3 | H47 | 62.0° | 179.9° |
| H32 | C2 | C4 | H49 | 60.2° | 180.0° |
| H32 | C2 | C4 | H48 | 59.7° | 60.0° |
| H35 | C6 | C7 | H50 | 147.3° | 65.9° |
| H35 | C6 | C7 | H51 | 93.8° | 174.1° |
| H35 | C6 | C14 | H54 | 178.2° | 65.1° |
| H35 | C6 | C14 | H55 | 60.0° | 175.0° |
| H35 | C6 | N5 | H33 | 160.5° | 65.7° |
| H35 | C6 | N5 | H34 | 42.9° | 174.3° |
| H50 | C7 | C8 | H52 | 173.9° | 177.1° |
| H50 | C7 | C8 | H53 | 55.0° | 57.1° |
| H51 | C7 | C8 | H52 | 67.1° | 62.8° |
| H51 | C7 | C8 | H53 | 173.9° | 177.2° |
| H52 | C8 | C9 | H36 | 80.2° | 175.0° |
| H53 | C8 | C9 | H36 | 160.8° | 65.0° |
| H54 | C14 | C15 | H40 | 166.2° | 174.5° |
| H55 | C14 | C15 | H40 | 75.7° | 65.5° |
| H40 | C15 | C20 | H43 | 158.6° | 123.9° |
| H49 | C4 | N5 | H33 | 33.2° | 65.1° |
| H49 | C4 | N5 | H34 | 150.8° | 174.9° |
| H48 | C4 | N5 | H33 | 153.0° | 174.9° |
| H48 | C4 | N5 | H34 | 89.3° | 54.9° |
| H36 | C9 | N10 | H37 | 63.3° | 180.0° |
| H36 | C9 | N10 | H39 | 176.7° | 60.0° |
| H36 | C9 | N10 | H38 | 56.8° | 59.9° |
| H37 | N10 | H39 | H38 | 120.0° | 120.0° |
| H41 | C17 | C18 | H42 | 94.6° | 160.3° |
| H42 | C18 | O19 | H56 | 55.9° | 56.4° |
| H42 | C18 | C20 | H43 | 36.8° | 21.4° |
| H43 | C20 | O21 | H57 | 57.6° | 57.4° |
