Y7A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.40Å | 1.42Å | Aromatic |
| C1 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | C10 | sing | 1.48Å | 1.50Å | |
| C2 | C3 | sing | 1.36Å | 1.36Å | Aromatic |
| C3 | C6 | doub | 1.39Å | 1.42Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.43Å | Aromatic |
| C5 | N9 | sing | 1.35Å | 1.40Å | Aromatic |
| C6 | N7 | sing | 1.37Å | 1.41Å | Aromatic |
| N7 | N8 | sing | 1.40Å | 1.35Å | Aromatic |
| N8 | N9 | doub | 1.29Å | 1.31Å | Aromatic |
| C10 | O11 | doub | 1.22Å | 1.22Å | |
| C10 | N12 | sing | 1.35Å | 1.38Å | |
| N12 | C13 | sing | 1.50Å | 1.49Å | |
| N12 | C14 | sing | 1.49Å | 1.51Å | |
| C13 | C16 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | sing | 1.49Å | 1.53Å | |
| C15 | C16 | sing | 1.58Å | 1.56Å | |
| C15 | C19 | sing | 1.49Å | 1.54Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C17 | N18 | sing | 1.50Å | 1.50Å | |
| N18 | C19 | sing | 1.49Å | 1.51Å | |
| N18 | C22 | sing | 1.35Å | 1.37Å | |
| C22 | C23 | sing | 1.48Å | 1.48Å | |
| C22 | O24 | doub | 1.22Å | 1.22Å | |
| C23 | C25 | doub | 1.40Å | 1.39Å | Aromatic |
| C23 | C29 | sing | 1.40Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.42Å | Aromatic |
| C26 | N27 | doub | 1.32Å | 1.38Å | Aromatic |
| C26 | N38 | sing | 1.39Å | 1.43Å | |
| N27 | C28 | sing | 1.32Å | 1.31Å | Aromatic |
| C28 | C29 | doub | 1.39Å | 1.41Å | Aromatic |
| C28 | O30 | sing | 1.36Å | 1.33Å | |
| O30 | C31 | sing | 1.43Å | 1.44Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| C32 | C33 | sing | 1.53Å | 1.56Å | |
| C32 | C37 | sing | 1.53Å | 1.51Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| C34 | O35 | sing | 1.43Å | 1.44Å | |
| O35 | C36 | sing | 1.43Å | 1.43Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| N38 | C39 | sing | 1.46Å | 1.50Å | |
| N38 | C40 | sing | 1.46Å | 1.47Å | |
| C13 | H46 | sing | 1.09Å | 1.10Å | |
| C13 | H45 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H50 | sing | 1.09Å | 1.10Å | |
| C17 | H49 | sing | 1.09Å | 1.10Å | |
| C19 | H51 | sing | 1.09Å | 1.10Å | |
| C19 | H52 | sing | 1.09Å | 1.10Å | |
| C25 | H53 | sing | 1.08Å | 1.08Å | |
| C2 | H41 | sing | 1.08Å | 1.08Å | |
| C3 | H42 | sing | 1.08Å | 1.08Å | |
| C4 | H43 | sing | 1.08Å | 1.08Å | |
| N7 | H44 | sing | 0.97Å | 1.00Å | |
| C14 | H47 | sing | 1.09Å | 1.10Å | |
| C14 | H48 | sing | 1.09Å | 1.10Å | |
| C29 | H54 | sing | 1.08Å | 1.08Å | |
| C31 | H56 | sing | 1.09Å | 1.10Å | |
| C31 | H55 | sing | 1.09Å | 1.10Å | |
| C32 | H57 | sing | 1.09Å | 1.10Å | |
| C33 | H59 | sing | 1.09Å | 1.10Å | |
| C33 | H58 | sing | 1.09Å | 1.10Å | |
| C34 | H60 | sing | 1.09Å | 1.10Å | |
| C34 | H61 | sing | 1.09Å | 1.10Å | |
| C36 | H63 | sing | 1.09Å | 1.10Å | |
| C36 | H62 | sing | 1.09Å | 1.10Å | |
| C37 | H65 | sing | 1.09Å | 1.10Å | |
| C37 | H64 | sing | 1.09Å | 1.10Å | |
| C39 | H68 | sing | 1.09Å | 1.10Å | |
| C39 | H66 | sing | 1.09Å | 1.10Å | |
| C39 | H67 | sing | 1.09Å | 1.10Å | |
| C40 | H71 | sing | 1.09Å | 1.10Å | |
| C40 | H70 | sing | 1.09Å | 1.10Å | |
| C40 | H69 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C4 | 123.3° | 120.2° |
| C2 | C1 | C10 | 115.3° | 119.9° |
| C1 | C2 | C3 | 121.2° | 120.4° |
| C1 | C2 | H41 | 119.4° | 119.8° |
| C4 | C1 | C10 | 121.4° | 119.9° |
| C1 | C4 | C5 | 116.3° | 119.6° |
| C1 | C4 | H43 | 121.9° | 120.2° |
| C1 | C10 | O11 | 120.4° | 120.0° |
| C1 | C10 | N12 | 121.2° | 120.0° |
| C2 | C3 | C6 | 117.2° | 120.1° |
| C3 | C2 | H41 | 119.4° | 119.8° |
| C2 | C3 | H42 | 121.4° | 119.9° |
| C3 | C6 | C5 | 121.1° | 120.2° |
| C3 | C6 | N7 | 133.6° | 133.7° |
| C6 | C3 | H42 | 121.4° | 120.0° |
| C4 | C5 | C6 | 120.9° | 119.4° |
| C4 | C5 | N9 | 132.3° | 133.0° |
| C5 | C4 | H43 | 121.8° | 120.3° |
| C6 | C5 | N9 | 106.8° | 107.6° |
| C5 | C6 | N7 | 105.2° | 106.1° |
| C5 | N9 | N8 | 108.4° | 110.1° |
| C6 | N7 | N8 | 107.5° | 106.7° |
| C6 | N7 | H44 | 126.3° | 126.7° |
| N7 | N8 | N9 | 112.1° | 109.5° |
| N8 | N7 | H44 | 126.2° | 126.7° |
| O11 | C10 | N12 | 118.4° | 120.1° |
| C10 | N12 | C13 | 123.2° | 126.1° |
| C10 | N12 | C14 | 123.6° | 126.2° |
| C13 | N12 | C14 | 113.1° | 107.7° |
| N12 | C13 | C16 | 98.4° | 102.4° |
| N12 | C13 | H46 | 112.2° | 110.8° |
| N12 | C13 | H45 | 112.2° | 111.0° |
| N12 | C14 | C15 | 96.0° | 104.6° |
| N12 | C14 | H47 | 112.7° | 110.4° |
| N12 | C14 | H48 | 112.7° | 110.4° |
| C13 | C16 | C15 | 98.9° | 97.8° |
| C13 | C16 | C17 | 124.7° | 124.1° |
| C16 | C13 | H46 | 112.2° | 110.8° |
| C16 | C13 | H45 | 112.2° | 110.8° |
| C13 | C16 | H21 | 109.6° | 111.2° |
| C14 | C15 | C16 | 97.5° | 100.7° |
| C14 | C15 | C19 | 126.0° | 129.3° |
| C14 | C15 | H20 | 109.0° | 107.9° |
| C15 | C14 | H47 | 112.7° | 110.4° |
| C15 | C14 | H48 | 112.7° | 110.4° |
| C16 | C15 | C19 | 105.3° | 100.7° |
| C15 | C16 | C17 | 103.4° | 97.8° |
| C16 | C15 | H20 | 108.5° | 107.6° |
| C15 | C16 | H21 | 108.9° | 111.8° |
| C15 | C19 | N18 | 99.9° | 104.6° |
| C19 | C15 | H20 | 108.9° | 108.6° |
| C15 | C19 | H51 | 111.8° | 110.5° |
| C15 | C19 | H52 | 111.8° | 110.4° |
| C16 | C17 | N18 | 101.2° | 102.4° |
| C17 | C16 | H21 | 109.7° | 111.7° |
| C16 | C17 | H50 | 111.5° | 110.8° |
| C16 | C17 | H49 | 111.5° | 110.8° |
| C17 | N18 | C19 | 114.9° | 107.8° |
| C17 | N18 | C22 | 121.8° | 126.1° |
| N18 | C17 | H50 | 111.5° | 110.9° |
| N18 | C17 | H49 | 111.5° | 110.8° |
| C19 | N18 | C22 | 123.2° | 126.1° |
| N18 | C19 | H51 | 111.8° | 110.4° |
| N18 | C19 | H52 | 111.8° | 110.5° |
| N18 | C22 | C23 | 119.5° | 120.0° |
| N18 | C22 | O24 | 121.6° | 120.0° |
| C23 | C22 | O24 | 118.8° | 120.0° |
| C22 | C23 | C25 | 115.9° | 120.9° |
| C22 | C23 | C29 | 121.6° | 120.8° |
| C25 | C23 | C29 | 122.4° | 118.3° |
| C23 | C25 | C26 | 117.9° | 119.0° |
| C23 | C25 | H53 | 121.1° | 120.5° |
| C23 | C29 | C28 | 114.2° | 119.1° |
| C23 | C29 | H54 | 122.9° | 120.4° |
| C25 | C26 | N27 | 121.2° | 120.8° |
| C25 | C26 | N38 | 121.6° | 119.6° |
| C26 | C25 | H53 | 121.0° | 120.5° |
| N27 | C26 | N38 | 117.2° | 119.6° |
| C26 | N27 | C28 | 117.0° | 121.9° |
| C26 | N38 | C39 | 115.0° | 120.0° |
| C26 | N38 | C40 | 117.9° | 120.0° |
| N27 | C28 | C29 | 127.3° | 120.8° |
| N27 | C28 | O30 | 115.7° | 119.6° |
| C29 | C28 | O30 | 117.0° | 119.6° |
| C28 | C29 | H54 | 122.9° | 120.5° |
| C28 | O30 | C31 | 116.6° | 117.0° |
| O30 | C31 | C32 | 108.6° | 109.5° |
| O30 | C31 | H56 | 109.7° | 109.5° |
| O30 | C31 | H55 | 109.7° | 109.5° |
| C31 | C32 | C33 | 106.5° | 109.5° |
| C31 | C32 | C37 | 108.9° | 109.5° |
| C32 | C31 | H56 | 109.7° | 109.5° |
| C32 | C31 | H55 | 109.7° | 109.4° |
| C31 | C32 | H57 | 110.8° | 109.5° |
| C33 | C32 | C37 | 108.7° | 109.0° |
| C32 | C33 | C34 | 108.3° | 109.1° |
| C33 | C32 | H57 | 110.6° | 109.5° |
| C32 | C33 | H59 | 109.7° | 109.6° |
| C32 | C33 | H58 | 109.8° | 109.5° |
| C32 | C37 | C36 | 113.1° | 109.1° |
| C37 | C32 | H57 | 111.2° | 109.7° |
| C32 | C37 | H65 | 108.6° | 109.5° |
| C32 | C37 | H64 | 108.6° | 109.5° |
| C33 | C34 | O35 | 110.7° | 109.5° |
| C34 | C33 | H59 | 109.8° | 109.6° |
| C34 | C33 | H58 | 109.8° | 109.5° |
| C33 | C34 | H60 | 109.2° | 109.5° |
| C33 | C34 | H61 | 109.2° | 109.5° |
| C34 | O35 | C36 | 114.3° | 114.1° |
| O35 | C34 | H60 | 109.2° | 109.5° |
| O35 | C34 | H61 | 109.2° | 109.5° |
| O35 | C36 | C37 | 113.9° | 109.4° |
| O35 | C36 | H63 | 108.4° | 109.5° |
| O35 | C36 | H62 | 108.4° | 109.5° |
| C37 | C36 | H63 | 108.3° | 109.5° |
| C37 | C36 | H62 | 108.3° | 109.4° |
| C36 | C37 | H65 | 108.5° | 109.6° |
| C36 | C37 | H64 | 108.5° | 109.5° |
| C39 | N38 | C40 | 113.3° | 120.0° |
| N38 | C39 | H68 | 109.5° | 109.5° |
| N38 | C39 | H66 | 109.5° | 109.5° |
| N38 | C39 | H67 | 109.5° | 109.5° |
| N38 | C40 | H71 | 109.5° | 109.4° |
| N38 | C40 | H70 | 109.4° | 109.5° |
| N38 | C40 | H69 | 109.5° | 109.5° |
| H46 | C13 | H45 | 109.5° | 110.8° |
| H50 | C17 | H49 | 109.5° | 110.9° |
| H51 | C19 | H52 | 109.5° | 110.4° |
| H47 | C14 | H48 | 109.5° | 110.4° |
| H56 | C31 | H55 | 109.5° | 109.5° |
| H59 | C33 | H58 | 109.5° | 109.6° |
| H60 | C34 | H61 | 109.5° | 109.4° |
| H63 | C36 | H62 | 109.5° | 109.5° |
| H65 | C37 | H64 | 109.4° | 109.6° |
| H68 | C39 | H66 | 109.5° | 109.5° |
| H68 | C39 | H67 | 109.5° | 109.5° |
| H66 | C39 | H67 | 109.5° | 109.4° |
| H71 | C40 | H70 | 109.5° | 109.5° |
| H71 | C40 | H69 | 109.5° | 109.5° |
| H70 | C40 | H69 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C4 | C10 | 175.9° | 179.7° |
| C1 | C2 | C3 | H41 | 180.0° | 179.9° |
| C1 | C2 | C3 | C6 | 0.4° | 0.1° |
| C2 | C1 | C4 | C5 | 1.6° | 0.0° |
| C2 | C1 | C10 | O11 | 117.8° | 34.8° |
| C2 | C1 | C10 | N12 | 63.8° | 144.9° |
| C1 | C2 | C3 | H42 | 179.6° | 180.0° |
| C2 | C1 | C4 | H43 | 178.4° | 180.0° |
| C4 | C1 | C2 | C3 | 0.9° | 0.0° |
| C1 | C4 | C5 | H43 | 180.0° | 180.0° |
| C1 | C4 | C5 | C6 | 1.2° | 0.0° |
| C1 | C4 | C5 | N9 | 177.0° | 180.0° |
| C4 | C1 | C10 | O11 | 58.4° | 145.0° |
| C4 | C1 | C10 | N12 | 120.0° | 35.4° |
| C4 | C1 | C2 | H41 | 179.1° | 180.0° |
| C10 | C1 | C2 | C3 | 175.3° | 179.7° |
| C10 | C1 | C4 | C5 | 174.3° | 179.7° |
| C1 | C10 | O11 | N12 | 178.4° | 179.6° |
| C1 | C10 | N12 | C13 | 5.4° | 174.4° |
| C1 | C10 | N12 | C14 | 169.3° | 5.6° |
| C10 | C1 | C2 | H41 | 4.7° | 0.2° |
| C10 | C1 | C4 | H43 | 5.7° | 0.3° |
| C2 | C3 | C6 | H42 | 180.0° | 179.9° |
| C2 | C3 | C6 | C5 | 0.8° | 0.1° |
| C2 | C3 | C6 | N7 | 177.4° | 180.0° |
| C3 | C6 | C5 | C4 | 0.0° | 0.1° |
| C3 | C6 | C5 | N7 | 178.7° | 180.0° |
| C3 | C6 | C5 | N9 | 178.6° | 180.0° |
| C3 | C6 | N7 | N8 | 178.7° | 180.0° |
| C6 | C3 | C2 | H41 | 179.6° | 180.0° |
| C3 | C6 | N7 | H44 | 1.4° | 0.0° |
| C4 | C5 | C6 | N9 | 178.6° | 180.0° |
| C4 | C5 | C6 | N7 | 178.7° | 180.0° |
| C4 | C5 | N9 | N8 | 178.8° | 179.9° |
| C5 | C6 | N7 | N8 | 0.2° | 0.0° |
| C6 | C5 | N9 | N8 | 0.4° | 0.0° |
| C5 | C6 | C3 | H42 | 179.2° | 180.0° |
| C6 | C5 | C4 | H43 | 178.8° | 180.0° |
| C5 | C6 | N7 | H44 | 179.8° | 180.0° |
| N9 | C5 | C6 | N7 | 0.1° | 0.0° |
| C5 | N9 | N8 | N7 | 0.6° | 0.1° |
| N9 | C5 | C4 | H43 | 3.0° | 0.0° |
| C6 | N7 | N8 | H44 | 180.0° | 180.0° |
| C6 | N7 | N8 | N9 | 0.5° | 0.0° |
| N7 | C6 | C3 | H42 | 2.6° | 0.0° |
| N9 | N8 | N7 | H44 | 179.5° | 179.9° |
| O11 | C10 | N12 | C13 | 173.0° | 5.9° |
| O11 | C10 | N12 | C14 | 12.3° | 174.1° |
| C10 | N12 | C13 | C14 | 175.2° | 180.0° |
| C10 | N12 | C13 | C16 | 172.2° | 154.2° |
| C10 | N12 | C14 | C15 | 151.4° | 173.2° |
| C10 | N12 | C13 | H46 | 54.0° | 87.6° |
| C10 | N12 | C13 | H45 | 69.6° | 35.8° |
| C10 | N12 | C14 | H47 | 33.6° | 68.0° |
| C10 | N12 | C14 | H48 | 90.9° | 54.5° |
| N12 | C13 | C16 | H46 | 118.1° | 118.2° |
| N12 | C13 | C16 | H45 | 118.2° | 118.4° |
| C13 | N12 | C14 | C15 | 23.8° | 6.8° |
| N12 | C13 | C16 | C15 | 42.9° | 45.6° |
| N12 | C13 | C16 | C17 | 156.1° | 150.6° |
| N12 | C13 | H46 | H45 | 125.2° | 123.6° |
| N12 | C13 | C16 | H21 | 70.9° | 71.5° |
| C13 | N12 | C14 | H47 | 141.6° | 112.0° |
| C13 | N12 | C14 | H48 | 93.9° | 125.6° |
| C14 | N12 | C13 | C16 | 12.6° | 25.8° |
| N12 | C14 | C15 | H47 | 117.7° | 118.8° |
| N12 | C14 | C15 | H48 | 117.7° | 118.8° |
| N12 | C14 | C15 | C16 | 48.6° | 35.0° |
| N12 | C14 | C15 | C19 | 163.7° | 148.4° |
| C14 | N12 | C13 | H46 | 130.7° | 92.4° |
| C14 | N12 | C13 | H45 | 105.6° | 144.1° |
| N12 | C14 | C15 | H20 | 64.0° | 77.5° |
| N12 | C14 | H47 | H48 | 126.3° | 122.4° |
| C13 | C16 | C15 | C14 | 60.1° | 50.1° |
| C13 | C16 | C15 | C17 | 129.1° | 126.2° |
| C13 | C16 | C15 | H21 | 114.4° | 116.7° |
| C13 | C16 | C15 | C19 | 169.3° | 176.2° |
| C13 | C16 | C17 | H21 | 133.0° | 137.8° |
| C13 | C16 | C17 | N18 | 144.7° | 150.6° |
| C16 | C13 | H46 | H45 | 125.2° | 123.4° |
| C13 | C16 | C15 | H20 | 52.8° | 62.7° |
| C13 | C16 | C17 | H50 | 96.6° | 91.2° |
| C13 | C16 | C17 | H49 | 26.1° | 32.4° |
| C14 | C15 | C16 | C19 | 130.6° | 133.7° |
| C14 | C15 | C16 | H20 | 112.9° | 112.8° |
| C14 | C15 | C19 | H20 | 132.3° | 133.8° |
| C14 | C15 | C16 | C17 | 170.8° | 176.3° |
| C14 | C15 | C19 | N18 | 139.2° | 148.4° |
| C14 | C15 | C16 | H21 | 54.2° | 66.6° |
| C14 | C15 | C19 | H51 | 102.4° | 92.8° |
| C14 | C15 | C19 | H52 | 20.7° | 29.5° |
| C15 | C14 | H47 | H48 | 126.3° | 122.4° |
| C16 | C15 | C19 | H20 | 116.2° | 112.8° |
| C15 | C16 | C17 | H21 | 116.0° | 117.3° |
| C15 | C16 | C17 | N18 | 33.7° | 45.6° |
| C16 | C15 | C19 | N18 | 27.6° | 35.0° |
| C15 | C16 | C13 | H46 | 161.0° | 72.5° |
| C15 | C16 | C13 | H45 | 75.3° | 164.1° |
| C15 | C16 | C17 | H50 | 152.4° | 163.9° |
| C15 | C16 | C17 | H49 | 84.9° | 72.6° |
| C16 | C15 | C19 | H51 | 146.1° | 153.8° |
| C16 | C15 | C19 | H52 | 90.8° | 83.9° |
| C16 | C15 | C14 | H47 | 166.3° | 83.8° |
| C16 | C15 | C14 | H48 | 69.2° | 153.8° |
| C19 | C15 | C16 | C17 | 40.2° | 50.1° |
| C15 | C19 | N18 | C17 | 6.6° | 6.8° |
| C15 | C19 | N18 | H51 | 118.4° | 118.8° |
| C15 | C19 | N18 | H52 | 118.4° | 118.8° |
| C15 | C19 | N18 | C22 | 170.3° | 173.3° |
| C19 | C15 | C16 | H21 | 76.4° | 67.1° |
| C15 | C19 | H51 | H52 | 124.4° | 122.4° |
| C19 | C15 | C14 | H47 | 78.5° | 29.6° |
| C19 | C15 | C14 | H48 | 46.0° | 92.7° |
| C16 | C17 | N18 | H50 | 118.7° | 118.2° |
| C16 | C17 | N18 | H49 | 118.6° | 118.2° |
| C16 | C17 | N18 | C19 | 17.7° | 25.8° |
| C16 | C17 | N18 | C22 | 165.4° | 154.1° |
| C17 | C16 | C13 | H46 | 85.8° | 32.4° |
| C17 | C16 | C13 | H45 | 37.9° | 91.0° |
| C17 | C16 | C15 | H20 | 76.3° | 63.5° |
| C16 | C17 | H50 | H49 | 123.8° | 123.5° |
| C17 | N18 | C19 | C22 | 176.9° | 180.0° |
| C17 | N18 | C22 | C23 | 5.2° | 174.4° |
| C17 | N18 | C22 | O24 | 175.5° | 5.6° |
| N18 | C17 | C16 | H21 | 82.3° | 71.7° |
| N18 | C17 | H50 | H49 | 123.9° | 123.5° |
| C17 | N18 | C19 | H51 | 125.0° | 125.6° |
| C17 | N18 | C19 | H52 | 111.8° | 112.0° |
| C19 | N18 | C22 | C23 | 178.2° | 5.7° |
| C19 | N18 | C22 | O24 | 1.1° | 174.3° |
| N18 | C19 | C15 | H20 | 88.5° | 77.7° |
| C19 | N18 | C17 | H50 | 136.3° | 144.0° |
| C19 | N18 | C17 | H49 | 100.9° | 92.4° |
| N18 | C19 | H51 | H52 | 124.5° | 122.5° |
| N18 | C22 | C23 | O24 | 179.3° | 180.0° |
| N18 | C22 | C23 | C25 | 67.4° | 150.1° |
| N18 | C22 | C23 | C29 | 117.4° | 29.6° |
| C22 | N18 | C17 | H50 | 46.7° | 35.9° |
| C22 | N18 | C17 | H49 | 76.0° | 87.6° |
| C22 | N18 | C19 | H51 | 51.9° | 54.5° |
| C22 | N18 | C19 | H52 | 71.3° | 67.9° |
| C22 | C23 | C25 | C29 | 175.1° | 179.7° |
| C22 | C23 | C25 | C26 | 173.7° | 180.0° |
| C22 | C23 | C29 | C28 | 172.7° | 179.8° |
| C22 | C23 | C25 | H53 | 6.3° | 0.1° |
| C22 | C23 | C29 | H54 | 7.3° | 0.0° |
| O24 | C22 | C23 | C25 | 111.9° | 29.9° |
| O24 | C22 | C23 | C29 | 63.2° | 150.4° |
| C23 | C25 | C26 | H53 | 180.0° | 179.9° |
| C23 | C25 | C26 | N27 | 0.7° | 0.0° |
| C23 | C25 | C26 | N38 | 178.0° | 180.0° |
| C25 | C23 | C29 | C28 | 2.1° | 0.5° |
| C25 | C23 | C29 | H54 | 177.9° | 179.7° |
| C29 | C23 | C25 | C26 | 1.4° | 0.3° |
| C23 | C29 | C28 | N27 | 0.8° | 0.5° |
| C23 | C29 | C28 | H54 | 180.0° | 179.7° |
| C23 | C29 | C28 | O30 | 179.0° | 180.0° |
| C29 | C23 | C25 | H53 | 178.6° | 179.8° |
| C25 | C26 | N27 | N38 | 178.8° | 179.9° |
| C25 | C26 | N27 | C28 | 1.9° | 0.0° |
| C25 | C26 | N38 | C39 | 35.7° | 4.9° |
| C25 | C26 | N38 | C40 | 173.5° | 175.0° |
| C26 | N27 | C28 | C29 | 1.1° | 0.2° |
| C26 | N27 | C28 | O30 | 177.0° | 179.8° |
| N27 | C26 | N38 | C39 | 145.5° | 175.0° |
| N27 | C26 | N38 | C40 | 7.7° | 5.0° |
| N27 | C26 | C25 | H53 | 179.3° | 180.0° |
| N38 | C26 | N27 | C28 | 176.9° | 179.9° |
| C26 | N38 | C39 | C40 | 139.7° | 180.0° |
| N38 | C26 | C25 | H53 | 2.0° | 0.1° |
| C26 | N38 | C39 | H68 | 180.0° | 90.0° |
| C26 | N38 | C39 | H66 | 60.0° | 149.9° |
| C26 | N38 | C39 | H67 | 60.0° | 30.0° |
| C26 | N38 | C40 | H71 | 180.0° | 90.0° |
| C26 | N38 | C40 | H70 | 60.0° | 150.0° |
| C26 | N38 | C40 | H69 | 60.0° | 30.0° |
| N27 | C28 | C29 | O30 | 178.1° | 179.5° |
| N27 | C28 | O30 | C31 | 4.0° | 0.5° |
| N27 | C28 | C29 | H54 | 179.2° | 179.8° |
| C29 | C28 | O30 | C31 | 177.6° | 180.0° |
| C28 | O30 | C31 | C32 | 176.0° | 180.0° |
| O30 | C28 | C29 | H54 | 1.0° | 0.2° |
| C28 | O30 | C31 | H56 | 56.2° | 60.0° |
| C28 | O30 | C31 | H55 | 64.1° | 60.0° |
| O30 | C31 | C32 | H56 | 119.9° | 120.0° |
| O30 | C31 | C32 | H55 | 119.9° | 120.0° |
| O30 | C31 | C32 | C33 | 176.4° | 175.0° |
| O30 | C31 | C32 | C37 | 66.6° | 65.5° |
| O30 | C31 | H56 | H55 | 120.4° | 120.0° |
| O30 | C31 | C32 | H57 | 56.1° | 54.9° |
| C31 | C32 | C33 | C37 | 117.1° | 119.9° |
| C31 | C32 | C33 | H57 | 120.5° | 120.1° |
| C31 | C32 | C37 | H57 | 122.4° | 120.2° |
| C31 | C32 | C33 | C34 | 174.7° | 176.8° |
| C31 | C32 | C37 | C36 | 166.9° | 176.9° |
| C32 | C31 | H56 | H55 | 120.4° | 120.0° |
| C31 | C32 | C33 | H59 | 65.5° | 63.2° |
| C31 | C32 | C33 | H58 | 54.9° | 57.0° |
| C31 | C32 | C37 | H65 | 46.3° | 56.9° |
| C31 | C32 | C37 | H64 | 72.6° | 63.3° |
| C33 | C32 | C37 | H57 | 122.0° | 119.9° |
| C32 | C33 | C34 | H59 | 119.8° | 119.9° |
| C32 | C33 | C34 | H58 | 119.9° | 119.9° |
| C32 | C33 | C34 | O35 | 61.0° | 57.6° |
| C33 | C32 | C37 | C36 | 51.3° | 57.0° |
| C33 | C32 | C31 | H56 | 56.6° | 55.0° |
| C33 | C32 | C31 | H55 | 63.7° | 65.0° |
| C32 | C33 | H59 | H58 | 120.5° | 120.2° |
| C32 | C33 | C34 | H60 | 59.2° | 62.4° |
| C32 | C33 | C34 | H61 | 178.8° | 177.6° |
| C33 | C32 | C37 | H65 | 69.3° | 62.9° |
| C33 | C32 | C37 | H64 | 171.8° | 176.9° |
| C37 | C32 | C33 | C34 | 57.6° | 57.0° |
| C32 | C37 | C36 | O35 | 47.4° | 57.7° |
| C32 | C37 | C36 | H65 | 120.6° | 119.9° |
| C32 | C37 | C36 | H64 | 120.6° | 119.8° |
| C37 | C32 | C31 | H56 | 173.6° | 174.5° |
| C37 | C32 | C31 | H55 | 53.3° | 54.5° |
| C37 | C32 | C33 | H59 | 177.4° | 176.9° |
| C37 | C32 | C33 | H58 | 62.3° | 62.9° |
| C32 | C37 | C36 | H63 | 73.2° | 62.4° |
| C32 | C37 | C36 | H62 | 168.1° | 177.6° |
| C32 | C37 | H65 | H64 | 118.4° | 120.2° |
| C33 | C34 | O35 | H60 | 120.2° | 120.0° |
| C33 | C34 | O35 | H61 | 120.2° | 120.0° |
| C33 | C34 | O35 | C36 | 57.7° | 61.2° |
| C34 | C33 | C32 | H57 | 64.8° | 63.0° |
| C34 | C33 | H59 | H58 | 120.5° | 120.1° |
| C33 | C34 | H60 | H61 | 119.4° | 120.0° |
| C34 | O35 | C36 | C37 | 50.1° | 61.2° |
| O35 | C34 | C33 | H59 | 179.2° | 177.5° |
| O35 | C34 | C33 | H58 | 58.9° | 62.3° |
| O35 | C34 | H60 | H61 | 119.5° | 120.0° |
| C34 | O35 | C36 | H63 | 70.5° | 58.9° |
| C34 | O35 | C36 | H62 | 170.8° | 178.9° |
| O35 | C36 | C37 | H63 | 120.7° | 120.0° |
| O35 | C36 | C37 | H62 | 120.7° | 119.9° |
| C36 | O35 | C34 | H60 | 62.5° | 58.9° |
| C36 | O35 | C34 | H61 | 177.9° | 178.8° |
| O35 | C36 | H63 | H62 | 118.0° | 120.0° |
| O35 | C36 | C37 | H65 | 73.2° | 62.3° |
| O35 | C36 | C37 | H64 | 168.0° | 177.5° |
| C36 | C37 | C32 | H57 | 70.7° | 62.9° |
| C37 | C36 | H63 | H62 | 118.0° | 120.0° |
| C36 | C37 | H65 | H64 | 118.3° | 120.2° |
| N38 | C39 | H68 | H66 | 120.0° | 120.0° |
| N38 | C39 | H68 | H67 | 120.0° | 120.0° |
| N38 | C39 | H66 | H67 | 120.0° | 120.0° |
| C39 | N38 | C40 | H71 | 41.5° | 90.0° |
| C39 | N38 | C40 | H70 | 161.5° | 30.0° |
| C39 | N38 | C40 | H69 | 78.5° | 150.0° |
| C40 | N38 | C39 | H68 | 40.3° | 90.0° |
| C40 | N38 | C39 | H66 | 79.7° | 30.0° |
| C40 | N38 | C39 | H67 | 160.3° | 150.0° |
| N38 | C40 | H71 | H70 | 120.0° | 120.0° |
| N38 | C40 | H71 | H69 | 120.0° | 120.0° |
| N38 | C40 | H70 | H69 | 120.0° | 120.0° |
| H46 | C13 | C16 | H21 | 47.2° | 170.3° |
| H45 | C13 | C16 | H21 | 170.9° | 46.9° |
| H20 | C15 | C16 | H21 | 167.2° | 179.4° |
| H20 | C15 | C19 | H51 | 29.9° | 41.0° |
| H20 | C15 | C19 | H52 | 153.0° | 163.4° |
| H20 | C15 | C14 | H47 | 53.8° | 163.7° |
| H20 | C15 | C14 | H48 | 178.3° | 41.3° |
| H21 | C16 | C17 | H50 | 36.4° | 46.6° |
| H21 | C16 | C17 | H49 | 159.1° | 170.1° |
| H41 | C2 | C3 | H42 | 0.4° | 0.1° |
| H56 | C31 | C32 | H57 | 63.8° | 65.2° |
| H55 | C31 | C32 | H57 | 176.0° | 174.9° |
| H57 | C32 | C33 | H59 | 55.0° | 56.9° |
| H57 | C32 | C33 | H58 | 175.4° | 177.1° |
| H57 | C32 | C37 | H65 | 168.7° | 177.2° |
| H57 | C32 | C37 | H64 | 49.8° | 57.0° |
| H59 | C33 | C34 | H60 | 60.6° | 57.5° |
| H59 | C33 | C34 | H61 | 59.0° | 62.5° |
| H58 | C33 | C34 | H60 | 179.1° | 177.7° |
| H58 | C33 | C34 | H61 | 61.3° | 57.7° |
| H63 | C36 | C37 | H65 | 166.2° | 177.7° |
| H63 | C36 | C37 | H64 | 47.3° | 57.5° |
| H62 | C36 | C37 | H65 | 47.5° | 57.7° |
| H62 | C36 | C37 | H64 | 71.4° | 62.6° |
| H68 | C39 | H66 | H67 | 120.0° | 120.0° |
| H71 | C40 | H70 | H69 | 120.0° | 120.0° |
