76M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C11 | doub | 1.21Å | 1.26Å | |
| C11 | O13 | sing | 1.34Å | 1.26Å | |
| C11 | C9 | sing | 1.51Å | 1.54Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.51Å | |
| C9 | N10 | sing | 1.47Å | 1.49Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | C4 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | N5 | sing | 1.47Å | 1.51Å | |
| C6 | C14 | sing | 1.53Å | 1.53Å | |
| N5 | C4 | sing | 1.47Å | 1.49Å | |
| O19 | C18 | sing | 1.43Å | 1.42Å | |
| O21 | C20 | sing | 1.43Å | 1.42Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C15 | O16 | sing | 1.44Å | 1.44Å | |
| C15 | C20 | sing | 1.54Å | 1.53Å | |
| O16 | C17 | sing | 1.44Å | 1.44Å | |
| C20 | C18 | sing | 1.55Å | 1.55Å | |
| C18 | C17 | sing | 1.55Å | 1.55Å | |
| C17 | N22 | sing | 1.46Å | 1.45Å | |
| N22 | C23 | sing | 1.36Å | 1.38Å | Aromatic |
| N22 | C31 | sing | 1.37Å | 1.37Å | 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 | 1.37Å | Aromatic |
| N24 | C25 | sing | 1.36Å | 1.39Å | Aromatic |
| C29 | N28 | doub | 1.32Å | 1.35Å | Aromatic |
| C25 | C26 | doub | 1.40Å | 1.40Å | Aromatic |
| N28 | C26 | sing | 1.33Å | 1.36Å | Aromatic |
| C26 | N27 | sing | 1.38Å | 1.34Å | |
| C1 | H44 | sing | 1.09Å | 1.10Å | |
| C1 | H43 | sing | 1.09Å | 1.10Å | |
| C1 | H45 | sing | 1.09Å | 1.10Å | |
| C2 | H46 | sing | 1.09Å | 1.10Å | |
| C3 | H49 | sing | 1.09Å | 1.10Å | |
| C3 | H48 | sing | 1.09Å | 1.10Å | |
| C3 | H47 | sing | 1.09Å | 1.10Å | |
| C6 | H34 | sing | 1.09Å | 1.10Å | |
| C7 | H52 | sing | 1.09Å | 1.10Å | |
| C7 | H53 | sing | 1.09Å | 1.10Å | |
| C8 | H55 | sing | 1.09Å | 1.10Å | |
| C8 | H54 | sing | 1.09Å | 1.10Å | |
| C14 | H56 | sing | 1.09Å | 1.10Å | |
| C14 | H57 | sing | 1.09Å | 1.10Å | |
| C15 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | H60 | sing | 1.08Å | 1.08Å | |
| C4 | H51 | sing | 1.09Å | 1.10Å | |
| C4 | H50 | sing | 1.09Å | 1.10Å | |
| N5 | H32 | sing | 1.01Å | 1.00Å | |
| N5 | H33 | sing | 1.01Å | 1.00Å | |
| C9 | H35 | sing | 1.09Å | 1.10Å | |
| N10 | H36 | sing | 1.01Å | 1.00Å | |
| N10 | H38 | sing | 1.01Å | 1.00Å | |
| N10 | H37 | sing | 1.01Å | 1.00Å | |
| O13 | H1 | sing | 0.97Å | 0.95Å | |
| C17 | H40 | sing | 1.09Å | 1.10Å | |
| C18 | H41 | sing | 1.09Å | 1.10Å | |
| O19 | H58 | sing | 0.97Å | 0.95Å | |
| C20 | H42 | sing | 1.09Å | 1.10Å | |
| O21 | H59 | sing | 0.97Å | 0.95Å | |
| N27 | H62 | sing | 0.97Å | 1.00Å | |
| N27 | H61 | sing | 0.97Å | 1.00Å | |
| C29 | H63 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C11 | O13 | 125.5° | 120.0° |
| O12 | C11 | C9 | 117.3° | 120.0° |
| O13 | C11 | C9 | 117.3° | 120.0° |
| C11 | O13 | H1 | 109.5° | 117.0° |
| C11 | C9 | C8 | 112.5° | 109.5° |
| C11 | C9 | N10 | 110.5° | 109.5° |
| C11 | C9 | H35 | 107.6° | 109.5° |
| C9 | C8 | C7 | 113.3° | 109.5° |
| C8 | C9 | N10 | 110.3° | 109.5° |
| C9 | C8 | H55 | 108.5° | 109.4° |
| C9 | C8 | H54 | 108.5° | 109.4° |
| C8 | C9 | H35 | 107.7° | 109.4° |
| C8 | C7 | C6 | 115.0° | 109.5° |
| C8 | C7 | H52 | 108.1° | 109.5° |
| C8 | C7 | H53 | 108.1° | 109.5° |
| C7 | C8 | H55 | 108.5° | 109.5° |
| C7 | C8 | H54 | 108.5° | 109.5° |
| N10 | C9 | H35 | 108.1° | 109.5° |
| C9 | N10 | H36 | 109.5° | 109.5° |
| C9 | N10 | H38 | 109.4° | 109.4° |
| C9 | N10 | H37 | 109.5° | 109.5° |
| C1 | C2 | C4 | 110.0° | 109.5° |
| C1 | C2 | C3 | 110.8° | 109.5° |
| C2 | C1 | H44 | 109.5° | 109.5° |
| C2 | C1 | H43 | 109.5° | 109.5° |
| C2 | C1 | H45 | 109.5° | 109.5° |
| C1 | C2 | H46 | 108.0° | 109.4° |
| C4 | C2 | C3 | 111.7° | 109.5° |
| C2 | C4 | N5 | 111.8° | 109.5° |
| C4 | C2 | H46 | 108.1° | 109.5° |
| C2 | C4 | H51 | 108.9° | 109.4° |
| C2 | C4 | H50 | 108.9° | 109.5° |
| C3 | C2 | H46 | 108.0° | 109.4° |
| C2 | C3 | H49 | 109.5° | 109.4° |
| C2 | C3 | H48 | 109.4° | 109.5° |
| C2 | C3 | H47 | 109.5° | 109.5° |
| C7 | C6 | N5 | 106.8° | 109.5° |
| C7 | C6 | C14 | 113.0° | 109.5° |
| C7 | C6 | H34 | 108.4° | 109.5° |
| C6 | C7 | H52 | 108.1° | 109.5° |
| C6 | C7 | H53 | 108.1° | 109.5° |
| N5 | C6 | C14 | 111.4° | 109.5° |
| C6 | N5 | C4 | 117.0° | 109.5° |
| N5 | C6 | H34 | 108.7° | 109.4° |
| C6 | N5 | H32 | 107.5° | 109.5° |
| C6 | N5 | H33 | 107.6° | 109.4° |
| C6 | C14 | C15 | 115.4° | 109.5° |
| C14 | C6 | H34 | 108.5° | 109.5° |
| C6 | C14 | H56 | 107.9° | 109.5° |
| C6 | C14 | H57 | 108.0° | 109.5° |
| N5 | C4 | H51 | 108.9° | 109.4° |
| N5 | C4 | H50 | 108.9° | 109.5° |
| C4 | N5 | H32 | 107.6° | 109.5° |
| C4 | N5 | H33 | 107.6° | 109.4° |
| O19 | C18 | C20 | 112.3° | 110.9° |
| O19 | C18 | C17 | 112.5° | 110.8° |
| O19 | C18 | H41 | 111.4° | 110.8° |
| C18 | O19 | H58 | 109.5° | 114.0° |
| O21 | C20 | C15 | 109.1° | 110.5° |
| O21 | C20 | C18 | 113.3° | 110.5° |
| O21 | C20 | H42 | 111.9° | 110.6° |
| C20 | O21 | H59 | 109.5° | 114.0° |
| C14 | C15 | O16 | 111.0° | 109.8° |
| C14 | C15 | C20 | 113.3° | 109.9° |
| C15 | C14 | H56 | 108.0° | 109.4° |
| C15 | C14 | H57 | 108.0° | 109.4° |
| C14 | C15 | H39 | 108.6° | 109.9° |
| O16 | C15 | C20 | 105.7° | 107.3° |
| C15 | O16 | C17 | 110.6° | 107.0° |
| O16 | C15 | H39 | 109.6° | 109.9° |
| C15 | C20 | C18 | 101.6° | 104.2° |
| C20 | C15 | H39 | 108.5° | 110.0° |
| C15 | C20 | H42 | 110.4° | 110.5° |
| O16 | C17 | C18 | 105.6° | 103.5° |
| O16 | C17 | N22 | 108.7° | 110.6° |
| O16 | C17 | H40 | 111.1° | 110.6° |
| C20 | C18 | C17 | 101.0° | 102.1° |
| C20 | C18 | H41 | 109.5° | 110.9° |
| C18 | C20 | H42 | 110.0° | 110.5° |
| C18 | C17 | N22 | 110.7° | 110.6° |
| C18 | C17 | H40 | 109.6° | 110.8° |
| C17 | C18 | H41 | 109.6° | 110.9° |
| C17 | N22 | C23 | 126.3° | 126.3° |
| C17 | N22 | C31 | 126.8° | 126.2° |
| N22 | C17 | H40 | 111.0° | 110.6° |
| C23 | N22 | C31 | 106.9° | 107.5° |
| N22 | C23 | N24 | 111.9° | 110.0° |
| N22 | C23 | H60 | 124.0° | 125.0° |
| N22 | C31 | N30 | 127.7° | 134.9° |
| N22 | C31 | C25 | 105.7° | 106.0° |
| C23 | N24 | C25 | 105.0° | 109.4° |
| N24 | C23 | H60 | 124.0° | 125.0° |
| C31 | N30 | C29 | 112.0° | 120.7° |
| N30 | C31 | C25 | 126.6° | 119.1° |
| N30 | C29 | N28 | 127.8° | 122.4° |
| N30 | C29 | H63 | 116.1° | 118.8° |
| C31 | C25 | N24 | 110.5° | 107.1° |
| C31 | C25 | C26 | 116.6° | 118.2° |
| N24 | C25 | C26 | 132.9° | 134.7° |
| C29 | N28 | C26 | 118.0° | 121.2° |
| N28 | C29 | H63 | 116.1° | 118.8° |
| C25 | C26 | N28 | 118.9° | 118.4° |
| C25 | C26 | N27 | 122.4° | 120.8° |
| N28 | C26 | N27 | 118.6° | 120.8° |
| C26 | N27 | H62 | 109.5° | 120.0° |
| C26 | N27 | H61 | 109.5° | 120.0° |
| H44 | C1 | H43 | 109.4° | 109.5° |
| H44 | C1 | H45 | 109.5° | 109.5° |
| H43 | C1 | H45 | 109.4° | 109.5° |
| H49 | C3 | H48 | 109.5° | 109.5° |
| H49 | C3 | H47 | 109.5° | 109.5° |
| H48 | C3 | H47 | 109.5° | 109.5° |
| H52 | C7 | H53 | 109.5° | 109.4° |
| H55 | C8 | H54 | 109.5° | 109.5° |
| H56 | C14 | H57 | 109.5° | 109.5° |
| H51 | C4 | H50 | 109.5° | 109.4° |
| H32 | N5 | H33 | 109.5° | 109.4° |
| H36 | N10 | H38 | 109.5° | 109.4° |
| H36 | N10 | H37 | 109.4° | 109.5° |
| H38 | N10 | H37 | 109.5° | 109.4° |
| H62 | N27 | H61 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C11 | O13 | C9 | 179.9° | 180.0° |
| O12 | C11 | C9 | C8 | 48.8° | 100.0° |
| O12 | C11 | C9 | N10 | 172.6° | 20.0° |
| O12 | C11 | C9 | H35 | 69.7° | 140.0° |
| O12 | C11 | O13 | H1 | 0.0° | 0.0° |
| O13 | C11 | C9 | C8 | 131.3° | 80.0° |
| O13 | C11 | C9 | N10 | 7.6° | 160.0° |
| O13 | C11 | C9 | H35 | 110.2° | 40.0° |
| C11 | C9 | C8 | N10 | 123.9° | 120.0° |
| C11 | C9 | C8 | H35 | 118.4° | 120.0° |
| C11 | C9 | C8 | C7 | 160.3° | 175.0° |
| C11 | C9 | N10 | H35 | 117.4° | 120.0° |
| C11 | C9 | C8 | H55 | 39.8° | 65.0° |
| C11 | C9 | C8 | H54 | 79.1° | 55.0° |
| C11 | C9 | N10 | H36 | 180.0° | 59.9° |
| C11 | C9 | N10 | H38 | 60.0° | 60.0° |
| C11 | C9 | N10 | H37 | 60.0° | 180.0° |
| C9 | C11 | O13 | H1 | 179.9° | 180.0° |
| C9 | C8 | C7 | H55 | 120.6° | 119.9° |
| C9 | C8 | C7 | H54 | 120.6° | 120.0° |
| C8 | C9 | N10 | H35 | 117.5° | 119.9° |
| C9 | C8 | C7 | C6 | 177.2° | 177.7° |
| C9 | C8 | C7 | H52 | 62.0° | 57.6° |
| C9 | C8 | C7 | H53 | 56.4° | 62.3° |
| C9 | C8 | H55 | H54 | 118.2° | 120.0° |
| C8 | C9 | N10 | H36 | 54.9° | 60.1° |
| C8 | C9 | N10 | H38 | 65.1° | 179.9° |
| C8 | C9 | N10 | H37 | 174.9° | 60.0° |
| C7 | C8 | C9 | N10 | 75.8° | 65.0° |
| C8 | C7 | C6 | H52 | 120.8° | 120.0° |
| C8 | C7 | C6 | H53 | 120.8° | 120.0° |
| C8 | C7 | C6 | N5 | 142.6° | 174.7° |
| C8 | C7 | C6 | C14 | 94.5° | 65.2° |
| C8 | C7 | C6 | H34 | 25.7° | 54.8° |
| C8 | C7 | H52 | H53 | 117.5° | 120.0° |
| C7 | C8 | H55 | H54 | 118.2° | 120.1° |
| C7 | C8 | C9 | H35 | 41.9° | 55.0° |
| N10 | C9 | C8 | H55 | 163.7° | 55.0° |
| N10 | C9 | C8 | H54 | 44.8° | 175.0° |
| C9 | N10 | H36 | H38 | 120.0° | 119.9° |
| C9 | N10 | H36 | H37 | 120.0° | 120.1° |
| C9 | N10 | H38 | H37 | 120.0° | 120.0° |
| C1 | C2 | C4 | C3 | 123.5° | 120.1° |
| C1 | C2 | C4 | H46 | 117.7° | 119.9° |
| C1 | C2 | C3 | H46 | 118.2° | 119.9° |
| C1 | C2 | C4 | N5 | 178.3° | 175.0° |
| C2 | C1 | H44 | H43 | 120.0° | 120.0° |
| C2 | C1 | H44 | H45 | 120.0° | 120.0° |
| C2 | C1 | H43 | H45 | 120.0° | 120.0° |
| C1 | C2 | C3 | H49 | 180.0° | 60.0° |
| C1 | C2 | C3 | H48 | 60.0° | 180.0° |
| C1 | C2 | C3 | H47 | 60.0° | 59.9° |
| C1 | C2 | C4 | H51 | 61.4° | 65.0° |
| C1 | C2 | C4 | H50 | 57.9° | 54.9° |
| C4 | C2 | C3 | H46 | 118.8° | 120.0° |
| C2 | C4 | N5 | C6 | 153.8° | 174.2° |
| C2 | C4 | N5 | H51 | 120.4° | 120.0° |
| C2 | C4 | N5 | H50 | 120.4° | 120.1° |
| C4 | C2 | C1 | H44 | 180.0° | 60.0° |
| C4 | C2 | C1 | H43 | 60.0° | 179.9° |
| C4 | C2 | C1 | H45 | 60.0° | 59.9° |
| C4 | C2 | C3 | H49 | 56.9° | 60.1° |
| C4 | C2 | C3 | H48 | 176.9° | 59.9° |
| C4 | C2 | C3 | H47 | 63.1° | 180.0° |
| C2 | C4 | H51 | H50 | 118.9° | 120.0° |
| C2 | C4 | N5 | H32 | 85.1° | 54.1° |
| C2 | C4 | N5 | H33 | 32.7° | 65.8° |
| C3 | C2 | C4 | N5 | 58.1° | 64.9° |
| C3 | C2 | C1 | H44 | 56.0° | 60.0° |
| C3 | C2 | C1 | H43 | 176.0° | 60.0° |
| C3 | C2 | C1 | H45 | 64.1° | 180.0° |
| C2 | C3 | H49 | H48 | 120.0° | 120.0° |
| C2 | C3 | H49 | H47 | 120.0° | 120.0° |
| C2 | C3 | H48 | H47 | 120.0° | 120.0° |
| C3 | C2 | C4 | H51 | 62.2° | 55.1° |
| C3 | C2 | C4 | H50 | 178.5° | 175.0° |
| C7 | C6 | N5 | C14 | 123.8° | 120.1° |
| C7 | C6 | N5 | H34 | 116.7° | 120.0° |
| C7 | C6 | C14 | H34 | 120.2° | 120.0° |
| C7 | C6 | N5 | C4 | 172.1° | 65.6° |
| C7 | C6 | C14 | C15 | 61.3° | 175.0° |
| C6 | C7 | H52 | H53 | 117.5° | 120.0° |
| C6 | C7 | C8 | H55 | 56.6° | 62.4° |
| C6 | C7 | C8 | H54 | 62.2° | 57.7° |
| C7 | C6 | C14 | H56 | 59.6° | 55.0° |
| C7 | C6 | C14 | H57 | 177.9° | 65.0° |
| C7 | C6 | N5 | H32 | 51.0° | 174.3° |
| C7 | C6 | N5 | H33 | 66.9° | 54.4° |
| N5 | C6 | C14 | H34 | 119.6° | 119.9° |
| C6 | N5 | C4 | H32 | 121.1° | 120.1° |
| C6 | N5 | C4 | H33 | 121.1° | 120.0° |
| N5 | C6 | C14 | C15 | 178.5° | 64.9° |
| N5 | C6 | C7 | H52 | 96.6° | 54.7° |
| N5 | C6 | C7 | H53 | 21.8° | 65.3° |
| N5 | C6 | C14 | H56 | 60.6° | 175.1° |
| N5 | C6 | C14 | H57 | 57.6° | 55.0° |
| C6 | N5 | C4 | H51 | 85.9° | 54.2° |
| C6 | N5 | C4 | H50 | 33.4° | 65.7° |
| C6 | N5 | H32 | H33 | 116.6° | 119.9° |
| C14 | C6 | N5 | C4 | 48.3° | 174.4° |
| C6 | C14 | C15 | H56 | 120.8° | 120.1° |
| C6 | C14 | C15 | H57 | 120.9° | 120.0° |
| C6 | C14 | C15 | O16 | 76.6° | 66.5° |
| C6 | C14 | C15 | C20 | 164.6° | 175.7° |
| C14 | C6 | C7 | H52 | 26.3° | 174.7° |
| C14 | C6 | C7 | H53 | 144.7° | 54.8° |
| C6 | C14 | H56 | H57 | 117.3° | 120.0° |
| C6 | C14 | C15 | H39 | 43.9° | 54.5° |
| C14 | C6 | N5 | H32 | 72.8° | 54.3° |
| C14 | C6 | N5 | H33 | 169.3° | 65.7° |
| N5 | C4 | C2 | H46 | 60.6° | 55.1° |
| C4 | N5 | C6 | H34 | 71.2° | 54.4° |
| N5 | C4 | H51 | H50 | 118.9° | 120.0° |
| C4 | N5 | H32 | H33 | 116.6° | 120.0° |
| O19 | C18 | C20 | O21 | 35.3° | 20.4° |
| O19 | C18 | C20 | C15 | 81.6° | 139.0° |
| O19 | C18 | C17 | O16 | 88.6° | 155.2° |
| O19 | C18 | C20 | C17 | 120.1° | 118.1° |
| O19 | C18 | C20 | H41 | 124.4° | 123.6° |
| O19 | C18 | C17 | H41 | 124.5° | 123.6° |
| O19 | C18 | C17 | N22 | 154.0° | 86.3° |
| O19 | C18 | C17 | H40 | 31.2° | 36.7° |
| O19 | C18 | C20 | H42 | 161.4° | 102.3° |
| O21 | C20 | C15 | C14 | 85.5° | 119.9° |
| O21 | C20 | C15 | O16 | 152.8° | 120.7° |
| O21 | C20 | C15 | C18 | 119.9° | 118.7° |
| O21 | C20 | C15 | H42 | 123.4° | 122.6° |
| O21 | C20 | C18 | H42 | 126.1° | 122.7° |
| O21 | C20 | C18 | C17 | 155.3° | 97.8° |
| O21 | C20 | C15 | H39 | 35.3° | 1.2° |
| O21 | C20 | C18 | H41 | 89.1° | 144.0° |
| C14 | C15 | O16 | C20 | 123.3° | 119.4° |
| C14 | C15 | O16 | H39 | 120.0° | 121.0° |
| C14 | C15 | C20 | H39 | 120.7° | 121.1° |
| C14 | C15 | O16 | C17 | 136.9° | 145.9° |
| C14 | C15 | C20 | C18 | 154.7° | 121.4° |
| C15 | C14 | C6 | H34 | 58.9° | 55.0° |
| C15 | C14 | H56 | H57 | 117.3° | 119.9° |
| C14 | C15 | C20 | H42 | 37.9° | 2.8° |
| O16 | C15 | C20 | H39 | 117.5° | 119.5° |
| O16 | C15 | C20 | C18 | 32.9° | 2.0° |
| C15 | O16 | C17 | C18 | 11.7° | 40.1° |
| C15 | O16 | C17 | N22 | 107.1° | 158.6° |
| O16 | C15 | C14 | H56 | 44.2° | 53.6° |
| O16 | C15 | C14 | H57 | 162.5° | 173.5° |
| C15 | O16 | C17 | H40 | 130.5° | 78.6° |
| O16 | C15 | C20 | H42 | 83.9° | 116.6° |
| C20 | C15 | O16 | C17 | 13.7° | 26.5° |
| C15 | C20 | C18 | H42 | 117.0° | 118.7° |
| C15 | C20 | C18 | C17 | 38.5° | 20.9° |
| C20 | C15 | C14 | H56 | 74.5° | 64.2° |
| C20 | C15 | C14 | H57 | 43.7° | 55.7° |
| C15 | C20 | C18 | H41 | 154.0° | 97.3° |
| C15 | C20 | O21 | H59 | 180.0° | 180.0° |
| O16 | C17 | C18 | C20 | 31.4° | 37.0° |
| O16 | C17 | C18 | N22 | 117.5° | 118.5° |
| O16 | C17 | C18 | H40 | 119.8° | 118.5° |
| O16 | C17 | N22 | H40 | 122.5° | 122.8° |
| O16 | C17 | N22 | C23 | 4.1° | 23.5° |
| O16 | C17 | N22 | C31 | 176.1° | 156.4° |
| C17 | O16 | C15 | H39 | 103.1° | 93.1° |
| O16 | C17 | C18 | H41 | 146.9° | 81.2° |
| C20 | C18 | C17 | H41 | 115.5° | 118.2° |
| C20 | C18 | C17 | N22 | 86.1° | 155.5° |
| C18 | C20 | C15 | H39 | 84.6° | 117.5° |
| C20 | C18 | C17 | H40 | 151.2° | 81.5° |
| C20 | C18 | O19 | H58 | 180.0° | 67.3° |
| C18 | C20 | O21 | H59 | 67.6° | 65.2° |
| C18 | C17 | N22 | H40 | 122.0° | 123.2° |
| C18 | C17 | N22 | C23 | 111.4° | 90.5° |
| C18 | C17 | N22 | C31 | 68.4° | 89.5° |
| C17 | C18 | O19 | H58 | 66.8° | 180.0° |
| C17 | C18 | C20 | H42 | 78.5° | 139.6° |
| C17 | N22 | C23 | C31 | 179.8° | 180.0° |
| C17 | N22 | C23 | N24 | 179.9° | 180.0° |
| C17 | N22 | C31 | N30 | 0.1° | 0.2° |
| C17 | N22 | C31 | C25 | 179.9° | 179.7° |
| C17 | N22 | C23 | H60 | 0.1° | 0.2° |
| N22 | C17 | C18 | H41 | 29.4° | 37.3° |
| N22 | C23 | N24 | H60 | 180.0° | 179.8° |
| C23 | N22 | C31 | N30 | 179.9° | 179.8° |
| C23 | N22 | C31 | C25 | 0.1° | 0.3° |
| N22 | C23 | N24 | C25 | 0.1° | 0.2° |
| C23 | N22 | C17 | H40 | 126.6° | 146.3° |
| C31 | N22 | C23 | N24 | 0.1° | 0.1° |
| N22 | C31 | N30 | C25 | 180.0° | 179.9° |
| N22 | C31 | N30 | C29 | 180.0° | 180.0° |
| N22 | C31 | C25 | N24 | 0.0° | 0.5° |
| N22 | C31 | C25 | C26 | 180.0° | 180.0° |
| C31 | N22 | C23 | H60 | 179.9° | 179.7° |
| C31 | N22 | C17 | H40 | 53.6° | 33.6° |
| C23 | N24 | C25 | C31 | 0.0° | 0.4° |
| C23 | N24 | C25 | C26 | 180.0° | 179.9° |
| N30 | C31 | C25 | N24 | 180.0° | 179.6° |
| C31 | N30 | C29 | N28 | 0.0° | 0.1° |
| N30 | C31 | C25 | C26 | 0.0° | 0.0° |
| C31 | N30 | C29 | H63 | 180.0° | 180.0° |
| C29 | N30 | C31 | C25 | 0.0° | 0.1° |
| N30 | C29 | N28 | H63 | 180.0° | 179.9° |
| N30 | C29 | N28 | C26 | 0.0° | 0.1° |
| C31 | C25 | N24 | C26 | 180.0° | 179.4° |
| C31 | C25 | C26 | N28 | 0.0° | 0.0° |
| C31 | C25 | C26 | N27 | 180.0° | 180.0° |
| N24 | C25 | C26 | N28 | 180.0° | 179.4° |
| N24 | C25 | C26 | N27 | 0.0° | 0.6° |
| C25 | N24 | C23 | H60 | 179.9° | 180.0° |
| C29 | N28 | C26 | C25 | 0.0° | 0.0° |
| C29 | N28 | C26 | N27 | 180.0° | 180.0° |
| C25 | C26 | N28 | N27 | 180.0° | 180.0° |
| C25 | C26 | N27 | H62 | 180.0° | 0.0° |
| C25 | C26 | N27 | H61 | 60.0° | 180.0° |
| N28 | C26 | N27 | H62 | 0.0° | 180.0° |
| N28 | C26 | N27 | H61 | 120.0° | 0.0° |
| C26 | N28 | C29 | H63 | 180.0° | 180.0° |
| C26 | N27 | H62 | H61 | 120.0° | 180.0° |
| H44 | C1 | H43 | H45 | 120.0° | 120.0° |
| H44 | C1 | C2 | H46 | 62.2° | 180.0° |
| H43 | C1 | C2 | H46 | 57.8° | 59.9° |
| H45 | C1 | C2 | H46 | 177.7° | 60.1° |
| H46 | C2 | C3 | H49 | 61.8° | 179.9° |
| H46 | C2 | C3 | H48 | 58.1° | 60.1° |
| H46 | C2 | C3 | H47 | 178.2° | 60.0° |
| H46 | C2 | C4 | H51 | 179.1° | 175.0° |
| H46 | C2 | C4 | H50 | 59.8° | 65.0° |
| H49 | C3 | H48 | H47 | 120.0° | 120.0° |
| H34 | C6 | C7 | H52 | 146.5° | 65.3° |
| H34 | C6 | C7 | H53 | 95.1° | 174.8° |
| H34 | C6 | C14 | H56 | 179.8° | 65.0° |
| H34 | C6 | C14 | H57 | 62.0° | 175.0° |
| H34 | C6 | N5 | H32 | 167.7° | 65.7° |
| H34 | C6 | N5 | H33 | 49.8° | 174.4° |
| H52 | C7 | C8 | H55 | 177.4° | 177.5° |
| H52 | C7 | C8 | H54 | 58.6° | 62.4° |
| H53 | C7 | C8 | H55 | 64.2° | 57.6° |
| H53 | C7 | C8 | H54 | 177.0° | 177.7° |
| H55 | C8 | C9 | H35 | 78.6° | 175.0° |
| H54 | C8 | C9 | H35 | 162.5° | 65.0° |
| H56 | C14 | C15 | H39 | 164.8° | 174.6° |
| H57 | C14 | C15 | H39 | 76.9° | 65.5° |
| H39 | C15 | C20 | H42 | 158.7° | 123.9° |
| H51 | C4 | N5 | H32 | 35.2° | 65.9° |
| H51 | C4 | N5 | H33 | 153.1° | 174.2° |
| H50 | C4 | N5 | H32 | 154.5° | 174.2° |
| H50 | C4 | N5 | H33 | 87.6° | 54.2° |
| H35 | C9 | N10 | H36 | 62.6° | 180.0° |
| H35 | C9 | N10 | H38 | 177.4° | 60.0° |
| H35 | C9 | N10 | H37 | 57.4° | 59.9° |
| H36 | N10 | H38 | H37 | 120.0° | 120.0° |
| H40 | C17 | C18 | H41 | 93.3° | 160.3° |
| H41 | C18 | O19 | H58 | 56.7° | 56.4° |
| H41 | C18 | C20 | H42 | 37.1° | 21.3° |
| H42 | C20 | O21 | H59 | 57.6° | 57.4° |
