Y8Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.54Å | 1.56Å | |
| C1 | C5 | sing | 1.54Å | 1.54Å | |
| C2 | C3 | sing | 1.54Å | 1.52Å | |
| C2 | N9 | sing | 1.47Å | 1.47Å | |
| C3 | C4 | sing | 1.55Å | 1.50Å | |
| C4 | C5 | sing | 1.55Å | 1.58Å | |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| C6 | O7 | doub | 1.21Å | 1.20Å | |
| C6 | N8 | sing | 1.35Å | 1.41Å | |
| N8 | C10 | sing | 1.47Å | 1.48Å | |
| N8 | C14 | sing | 1.47Å | 1.46Å | |
| N9 | C28 | sing | 1.35Å | 1.35Å | |
| C10 | C11 | sing | 1.53Å | 1.56Å | |
| C11 | N12 | sing | 1.46Å | 1.51Å | |
| N12 | C13 | sing | 1.33Å | 1.44Å | |
| N12 | C23 | sing | 1.47Å | 1.49Å | |
| C13 | C14 | sing | 1.50Å | 1.56Å | |
| C13 | O22 | doub | 1.21Å | 1.27Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C16 | C17 | doub | 1.38Å | 1.42Å | Aromatic |
| C16 | C21 | sing | 1.38Å | 1.42Å | Aromatic |
| C17 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C20 | doub | 1.38Å | 1.43Å | Aromatic |
| C19 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| C24 | N25 | sing | 1.35Å | 1.42Å | |
| C24 | O26 | doub | 1.21Å | 1.24Å | |
| N25 | C27 | sing | 1.46Å | 1.49Å | |
| C28 | C29 | sing | 1.48Å | 1.50Å | |
| C28 | O35 | doub | 1.22Å | 1.25Å | |
| C29 | C30 | doub | 1.40Å | 1.43Å | Aromatic |
| C29 | C34 | sing | 1.40Å | 1.36Å | Aromatic |
| C30 | C33 | sing | 1.38Å | 1.43Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.43Å | Aromatic |
| C31 | C33 | doub | 1.39Å | 1.38Å | Aromatic |
| C31 | CL40 | sing | 1.74Å | 1.77Å | |
| C32 | C34 | doub | 1.38Å | 1.37Å | Aromatic |
| C32 | C36 | sing | 1.51Å | 1.52Å | |
| C36 | F37 | sing | 1.40Å | 1.32Å | |
| C36 | F38 | sing | 1.40Å | 1.36Å | |
| C36 | F39 | sing | 1.40Å | 1.34Å | |
| C10 | H50 | sing | 1.09Å | 1.10Å | |
| C10 | H51 | sing | 1.09Å | 1.10Å | |
| C11 | H52 | sing | 1.09Å | 1.10Å | |
| C11 | H53 | sing | 1.09Å | 1.10Å | |
| C15 | H56 | sing | 1.09Å | 1.10Å | |
| C15 | H55 | sing | 1.09Å | 1.10Å | |
| C17 | H57 | sing | 1.08Å | 1.08Å | |
| C18 | H58 | sing | 1.08Å | 1.08Å | |
| C19 | H59 | sing | 1.08Å | 1.08Å | |
| C20 | H60 | sing | 1.08Å | 1.08Å | |
| C21 | H61 | sing | 1.08Å | 1.08Å | |
| C23 | H62 | sing | 1.09Å | 1.10Å | |
| C23 | H63 | sing | 1.09Å | 1.10Å | |
| C27 | H65 | sing | 1.09Å | 1.10Å | |
| C27 | H66 | sing | 1.09Å | 1.10Å | |
| C27 | H67 | sing | 1.09Å | 1.10Å | |
| C1 | H42 | sing | 1.09Å | 1.10Å | |
| C1 | H41 | sing | 1.09Å | 1.10Å | |
| C2 | H43 | sing | 1.09Å | 1.10Å | |
| C3 | H45 | sing | 1.09Å | 1.10Å | |
| C3 | H44 | sing | 1.09Å | 1.10Å | |
| C4 | H47 | sing | 1.09Å | 1.10Å | |
| C4 | H46 | sing | 1.09Å | 1.10Å | |
| C5 | H48 | sing | 1.09Å | 1.10Å | |
| N9 | H49 | sing | 0.97Å | 1.00Å | |
| C14 | H54 | sing | 1.09Å | 1.10Å | |
| N25 | H64 | sing | 0.97Å | 1.00Å | |
| C30 | H68 | sing | 1.08Å | 1.08Å | |
| C33 | H69 | sing | 1.08Å | 1.08Å | |
| C34 | H70 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C5 | 102.2° | 106.6° |
| C1 | C2 | C3 | 102.3° | 106.6° |
| C1 | C2 | N9 | 111.0° | 110.0° |
| C2 | C1 | H42 | 111.3° | 110.0° |
| C2 | C1 | H41 | 111.3° | 110.0° |
| C1 | C2 | H43 | 110.7° | 110.1° |
| C1 | C5 | C4 | 107.2° | 104.2° |
| C1 | C5 | C6 | 111.3° | 110.5° |
| C5 | C1 | H42 | 111.3° | 110.0° |
| C5 | C1 | H41 | 111.3° | 110.0° |
| C1 | C5 | H48 | 109.7° | 110.5° |
| C3 | C2 | N9 | 109.1° | 110.0° |
| C2 | C3 | C4 | 103.9° | 104.2° |
| C3 | C2 | H43 | 111.3° | 110.0° |
| C2 | C3 | H45 | 110.8° | 110.5° |
| C2 | C3 | H44 | 110.9° | 110.5° |
| C2 | N9 | C28 | 121.7° | 120.0° |
| N9 | C2 | H43 | 112.1° | 110.1° |
| C2 | N9 | H49 | 119.2° | 119.9° |
| C3 | C4 | C5 | 103.4° | 102.8° |
| C4 | C3 | H45 | 110.8° | 110.5° |
| C4 | C3 | H44 | 110.8° | 110.5° |
| C3 | C4 | H47 | 110.9° | 110.8° |
| C3 | C4 | H46 | 111.0° | 110.7° |
| C4 | C5 | C6 | 109.6° | 110.5° |
| C5 | C4 | H47 | 111.0° | 110.8° |
| C5 | C4 | H46 | 111.0° | 110.7° |
| C4 | C5 | H48 | 109.1° | 110.5° |
| C5 | C6 | O7 | 120.9° | 120.0° |
| C5 | C6 | N8 | 120.8° | 120.0° |
| C6 | C5 | H48 | 109.9° | 110.5° |
| O7 | C6 | N8 | 118.4° | 120.0° |
| C6 | N8 | C10 | 122.6° | 121.3° |
| C6 | N8 | C14 | 124.2° | 121.4° |
| C10 | N8 | C14 | 113.0° | 117.3° |
| N8 | C10 | C11 | 106.6° | 108.2° |
| N8 | C10 | H50 | 110.2° | 109.7° |
| N8 | C10 | H51 | 110.2° | 109.7° |
| N8 | C14 | C13 | 112.0° | 108.9° |
| N8 | C14 | C15 | 109.9° | 109.6° |
| N8 | C14 | H54 | 109.7° | 109.6° |
| N9 | C28 | C29 | 115.0° | 120.0° |
| N9 | C28 | O35 | 122.6° | 119.9° |
| C28 | N9 | H49 | 119.1° | 120.0° |
| C10 | C11 | N12 | 111.1° | 110.8° |
| C11 | C10 | H50 | 110.2° | 109.7° |
| C11 | C10 | H51 | 110.2° | 109.8° |
| C10 | C11 | H52 | 109.1° | 109.2° |
| C10 | C11 | H53 | 109.1° | 109.2° |
| C11 | N12 | C13 | 121.5° | 124.6° |
| C11 | N12 | C23 | 114.6° | 117.7° |
| N12 | C11 | H52 | 109.1° | 109.2° |
| N12 | C11 | H53 | 109.1° | 109.2° |
| C13 | N12 | C23 | 122.7° | 117.7° |
| N12 | C13 | C14 | 119.1° | 123.0° |
| N12 | C13 | O22 | 122.8° | 118.5° |
| N12 | C23 | C24 | 111.9° | 109.4° |
| N12 | C23 | H62 | 108.9° | 109.5° |
| N12 | C23 | H63 | 108.9° | 109.5° |
| C14 | C13 | O22 | 118.0° | 118.5° |
| C13 | C14 | C15 | 108.2° | 109.6° |
| C13 | C14 | H54 | 108.4° | 109.5° |
| C14 | C15 | C16 | 111.0° | 109.5° |
| C14 | C15 | H56 | 109.1° | 109.4° |
| C14 | C15 | H55 | 109.1° | 109.4° |
| C15 | C14 | H54 | 108.4° | 109.6° |
| C15 | C16 | C17 | 121.3° | 120.0° |
| C15 | C16 | C21 | 118.7° | 120.0° |
| C16 | C15 | H56 | 109.1° | 109.5° |
| C16 | C15 | H55 | 109.1° | 109.5° |
| C17 | C16 | C21 | 120.0° | 120.0° |
| C16 | C17 | C20 | 120.4° | 120.0° |
| C16 | C17 | H57 | 119.8° | 120.0° |
| C16 | C21 | C19 | 119.1° | 120.0° |
| C16 | C21 | H61 | 120.4° | 120.0° |
| C17 | C20 | C18 | 118.6° | 120.0° |
| C20 | C17 | H57 | 119.8° | 120.0° |
| C17 | C20 | H60 | 120.7° | 120.0° |
| C19 | C18 | C20 | 120.5° | 120.0° |
| C18 | C19 | C21 | 121.5° | 120.0° |
| C19 | C18 | H58 | 119.7° | 120.0° |
| C18 | C19 | H59 | 119.3° | 120.0° |
| C20 | C18 | H58 | 119.8° | 120.0° |
| C18 | C20 | H60 | 120.7° | 120.0° |
| C21 | C19 | H59 | 119.3° | 120.0° |
| C19 | C21 | H61 | 120.5° | 120.0° |
| C23 | C24 | N25 | 116.8° | 120.0° |
| C23 | C24 | O26 | 119.8° | 120.0° |
| C24 | C23 | H62 | 108.8° | 109.5° |
| C24 | C23 | H63 | 108.9° | 109.5° |
| N25 | C24 | O26 | 123.3° | 120.0° |
| C24 | N25 | C27 | 124.2° | 120.0° |
| C24 | N25 | H64 | 117.9° | 120.0° |
| N25 | C27 | H65 | 109.5° | 109.5° |
| N25 | C27 | H66 | 109.5° | 109.4° |
| N25 | C27 | H67 | 109.5° | 109.4° |
| C27 | N25 | H64 | 117.9° | 120.1° |
| C29 | C28 | O35 | 122.4° | 120.1° |
| C28 | C29 | C30 | 120.9° | 120.2° |
| C28 | C29 | C34 | 116.5° | 120.1° |
| C30 | C29 | C34 | 122.6° | 119.7° |
| C29 | C30 | C33 | 115.8° | 119.9° |
| C29 | C30 | H68 | 122.1° | 120.1° |
| C29 | C34 | C32 | 121.6° | 119.8° |
| C29 | C34 | H70 | 119.2° | 120.1° |
| C30 | C33 | C31 | 120.4° | 120.1° |
| C33 | C30 | H68 | 122.1° | 120.0° |
| C30 | C33 | H69 | 119.8° | 119.9° |
| C32 | C31 | C33 | 121.6° | 120.3° |
| C32 | C31 | CL40 | 120.6° | 119.9° |
| C31 | C32 | C34 | 117.9° | 120.2° |
| C31 | C32 | C36 | 119.8° | 119.9° |
| C33 | C31 | CL40 | 117.7° | 119.8° |
| C31 | C33 | H69 | 119.8° | 120.0° |
| C34 | C32 | C36 | 122.2° | 119.9° |
| C32 | C34 | H70 | 119.2° | 120.1° |
| C32 | C36 | F37 | 114.6° | 109.5° |
| C32 | C36 | F38 | 113.7° | 109.5° |
| C32 | C36 | F39 | 115.1° | 109.5° |
| F37 | C36 | F38 | 103.9° | 109.5° |
| F37 | C36 | F39 | 106.0° | 109.5° |
| F38 | C36 | F39 | 102.2° | 109.5° |
| H50 | C10 | H51 | 109.5° | 109.8° |
| H52 | C11 | H53 | 109.5° | 109.2° |
| H56 | C15 | H55 | 109.5° | 109.5° |
| H62 | C23 | H63 | 109.5° | 109.5° |
| H65 | C27 | H66 | 109.5° | 109.5° |
| H65 | C27 | H67 | 109.4° | 109.5° |
| H66 | C27 | H67 | 109.5° | 109.5° |
| H42 | C1 | H41 | 109.4° | 110.1° |
| H45 | C3 | H44 | 109.5° | 110.5° |
| H47 | C4 | H46 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C5 | H42 | 118.8° | 119.3° |
| C2 | C1 | C5 | H41 | 118.8° | 119.2° |
| C1 | C2 | C3 | N9 | 117.6° | 119.3° |
| C1 | C2 | C3 | H43 | 118.3° | 119.3° |
| C1 | C2 | N9 | H43 | 124.4° | 121.5° |
| C1 | C2 | C3 | C4 | 46.8° | 23.6° |
| C2 | C1 | C5 | C4 | 17.3° | 23.6° |
| C2 | C1 | C5 | C6 | 102.6° | 142.3° |
| C1 | C2 | N9 | C28 | 157.3° | 155.0° |
| C2 | C1 | H42 | H41 | 123.4° | 121.4° |
| C1 | C2 | C3 | H45 | 165.9° | 142.3° |
| C1 | C2 | C3 | H44 | 72.4° | 95.1° |
| C2 | C1 | C5 | H48 | 135.6° | 95.1° |
| C1 | C2 | N9 | H49 | 22.8° | 24.9° |
| C5 | C1 | C2 | C3 | 38.5° | 0.0° |
| C5 | C1 | C2 | N9 | 77.8° | 119.3° |
| C1 | C5 | C4 | C3 | 10.5° | 38.0° |
| C1 | C5 | C4 | C6 | 120.9° | 118.7° |
| C1 | C5 | C4 | H48 | 118.8° | 118.7° |
| C1 | C5 | C6 | H48 | 121.7° | 122.6° |
| C1 | C5 | C6 | O7 | 51.2° | 0.1° |
| C1 | C5 | C6 | N8 | 128.4° | 180.0° |
| C5 | C1 | H42 | H41 | 123.4° | 121.4° |
| C5 | C1 | C2 | H43 | 157.1° | 119.3° |
| C1 | C5 | C4 | H47 | 108.5° | 80.4° |
| C1 | C5 | C4 | H46 | 129.5° | 156.2° |
| C3 | C2 | N9 | H43 | 123.7° | 121.4° |
| C2 | C3 | C4 | H45 | 119.1° | 118.6° |
| C2 | C3 | C4 | H44 | 119.1° | 118.7° |
| C2 | C3 | C4 | C5 | 35.0° | 38.0° |
| C3 | C2 | N9 | C28 | 90.8° | 87.9° |
| C3 | C2 | C1 | H42 | 80.4° | 119.3° |
| C3 | C2 | C1 | H41 | 157.3° | 119.2° |
| C2 | C3 | H45 | H44 | 122.6° | 122.6° |
| C2 | C3 | C4 | H47 | 84.1° | 80.4° |
| C2 | C3 | C4 | H46 | 154.0° | 156.2° |
| C3 | C2 | N9 | H49 | 89.2° | 92.2° |
| N9 | C2 | C3 | C4 | 70.8° | 95.7° |
| C2 | N9 | C28 | H49 | 180.0° | 179.9° |
| C2 | N9 | C28 | C29 | 179.6° | 180.0° |
| C2 | N9 | C28 | O35 | 0.6° | 0.0° |
| N9 | C2 | C1 | H42 | 163.4° | 121.5° |
| N9 | C2 | C1 | H41 | 41.1° | 0.0° |
| N9 | C2 | C3 | H45 | 48.3° | 23.0° |
| N9 | C2 | C3 | H44 | 170.1° | 145.6° |
| C3 | C4 | C5 | H47 | 119.0° | 118.4° |
| C3 | C4 | C5 | H46 | 119.1° | 118.2° |
| C3 | C4 | C5 | C6 | 131.4° | 156.7° |
| C4 | C3 | C2 | H43 | 165.0° | 142.9° |
| C4 | C3 | H45 | H44 | 122.5° | 122.6° |
| C3 | C4 | H47 | H46 | 122.8° | 123.3° |
| C3 | C4 | C5 | H48 | 108.3° | 80.7° |
| C4 | C5 | C6 | H48 | 119.9° | 122.6° |
| C4 | C5 | C6 | O7 | 67.2° | 114.7° |
| C4 | C5 | C6 | N8 | 113.2° | 65.2° |
| C4 | C5 | C1 | H42 | 101.6° | 142.9° |
| C4 | C5 | C1 | H41 | 136.1° | 95.6° |
| C5 | C4 | C3 | H45 | 154.1° | 156.6° |
| C5 | C4 | C3 | H44 | 84.2° | 80.7° |
| C5 | C4 | H47 | H46 | 122.8° | 123.3° |
| C5 | C6 | O7 | N8 | 179.6° | 179.9° |
| C5 | C6 | N8 | C10 | 177.0° | 0.1° |
| C5 | C6 | N8 | C14 | 8.5° | 180.0° |
| C6 | C5 | C1 | H42 | 138.6° | 98.4° |
| C6 | C5 | C1 | H41 | 16.3° | 23.1° |
| C6 | C5 | C4 | H47 | 12.3° | 38.3° |
| C6 | C5 | C4 | H46 | 109.6° | 85.1° |
| O7 | C6 | N8 | C10 | 2.6° | 180.0° |
| O7 | C6 | N8 | C14 | 171.9° | 0.1° |
| O7 | C6 | C5 | H48 | 172.9° | 122.7° |
| C6 | N8 | C10 | C14 | 175.0° | 180.0° |
| C6 | N8 | C10 | C11 | 103.9° | 118.5° |
| C6 | N8 | C14 | C13 | 129.5° | 137.2° |
| C6 | N8 | C14 | C15 | 110.2° | 102.9° |
| C6 | N8 | C10 | H50 | 136.5° | 1.2° |
| C6 | N8 | C10 | H51 | 15.6° | 121.8° |
| N8 | C6 | C5 | H48 | 6.6° | 57.4° |
| C6 | N8 | C14 | H54 | 9.0° | 17.4° |
| N8 | C10 | C11 | H50 | 119.5° | 119.6° |
| N8 | C10 | C11 | H51 | 119.6° | 119.7° |
| N8 | C10 | C11 | N12 | 52.0° | 46.7° |
| C10 | N8 | C14 | C13 | 45.4° | 42.8° |
| C10 | N8 | C14 | C15 | 74.9° | 77.1° |
| N8 | C10 | H50 | H51 | 121.4° | 120.6° |
| N8 | C10 | C11 | H52 | 172.2° | 167.0° |
| N8 | C10 | C11 | H53 | 68.3° | 73.6° |
| C10 | N8 | C14 | H54 | 165.9° | 162.6° |
| C14 | N8 | C10 | C11 | 71.1° | 61.5° |
| N8 | C14 | C13 | N12 | 3.0° | 12.8° |
| N8 | C14 | C13 | C15 | 121.3° | 119.9° |
| N8 | C14 | C13 | H54 | 121.3° | 119.8° |
| N8 | C14 | C13 | O22 | 174.9° | 167.4° |
| N8 | C14 | C15 | H54 | 120.0° | 120.3° |
| N8 | C14 | C15 | C16 | 69.7° | 65.5° |
| C14 | N8 | C10 | H50 | 48.4° | 178.8° |
| C14 | N8 | C10 | H51 | 169.3° | 58.2° |
| N8 | C14 | C15 | H56 | 50.6° | 174.4° |
| N8 | C14 | C15 | H55 | 170.1° | 54.5° |
| N9 | C28 | C29 | O35 | 179.8° | 180.0° |
| N9 | C28 | C29 | C30 | 13.2° | 0.0° |
| N9 | C28 | C29 | C34 | 168.9° | 179.7° |
| C28 | N9 | C2 | H43 | 32.9° | 33.5° |
| C10 | C11 | N12 | H52 | 120.3° | 120.3° |
| C10 | C11 | N12 | H53 | 120.2° | 120.3° |
| C10 | C11 | N12 | C13 | 13.1° | 22.0° |
| C10 | C11 | N12 | C23 | 154.9° | 158.1° |
| C11 | C10 | H50 | H51 | 121.3° | 120.7° |
| C10 | C11 | H52 | H53 | 119.2° | 119.4° |
| C11 | N12 | C13 | C23 | 167.1° | 180.0° |
| C11 | N12 | C13 | C14 | 12.2° | 4.4° |
| C11 | N12 | C13 | O22 | 170.0° | 175.7° |
| C11 | N12 | C23 | C24 | 125.7° | 90.0° |
| N12 | C11 | C10 | H50 | 67.6° | 166.4° |
| N12 | C11 | C10 | H51 | 171.5° | 72.9° |
| N12 | C11 | H52 | H53 | 119.3° | 119.4° |
| C11 | N12 | C23 | H62 | 5.4° | 30.0° |
| C11 | N12 | C23 | H63 | 113.9° | 150.0° |
| N12 | C13 | C14 | O22 | 177.9° | 179.9° |
| N12 | C13 | C14 | C15 | 118.3° | 107.1° |
| C13 | N12 | C23 | C24 | 42.2° | 90.0° |
| C13 | N12 | C11 | H52 | 133.4° | 142.3° |
| C13 | N12 | C11 | H53 | 107.1° | 98.4° |
| C13 | N12 | C23 | H62 | 162.5° | 150.1° |
| C13 | N12 | C23 | H63 | 78.2° | 30.0° |
| N12 | C13 | C14 | H54 | 124.3° | 132.6° |
| C23 | N12 | C13 | C14 | 179.3° | 175.6° |
| C23 | N12 | C13 | O22 | 2.9° | 4.2° |
| N12 | C23 | C24 | H62 | 120.4° | 120.0° |
| N12 | C23 | C24 | H63 | 120.4° | 120.0° |
| N12 | C23 | C24 | N25 | 34.0° | 180.0° |
| N12 | C23 | C24 | O26 | 143.8° | 0.0° |
| C23 | N12 | C11 | H52 | 34.7° | 37.8° |
| C23 | N12 | C11 | H53 | 84.8° | 81.6° |
| N12 | C23 | H62 | H63 | 118.9° | 120.0° |
| C13 | C14 | C15 | H54 | 117.4° | 120.3° |
| C13 | C14 | C15 | C16 | 167.7° | 175.0° |
| C13 | C14 | C15 | H56 | 72.1° | 54.9° |
| C13 | C14 | C15 | H55 | 47.5° | 65.0° |
| O22 | C13 | C14 | C15 | 63.8° | 72.8° |
| O22 | C13 | C14 | H54 | 53.6° | 47.5° |
| C14 | C15 | C16 | H56 | 120.3° | 120.0° |
| C14 | C15 | C16 | H55 | 120.3° | 119.9° |
| C14 | C15 | C16 | C17 | 95.4° | 90.0° |
| C14 | C15 | C16 | C21 | 82.4° | 90.3° |
| C14 | C15 | H56 | H55 | 119.3° | 119.9° |
| C15 | C16 | C17 | C21 | 177.7° | 179.8° |
| C15 | C16 | C17 | C20 | 179.0° | 180.0° |
| C15 | C16 | C21 | C19 | 178.9° | 180.0° |
| C16 | C15 | H56 | H55 | 119.3° | 120.1° |
| C15 | C16 | C17 | H57 | 1.0° | 0.0° |
| C15 | C16 | C21 | H61 | 1.1° | 0.1° |
| C16 | C15 | C14 | H54 | 50.3° | 54.7° |
| C16 | C17 | C20 | H57 | 180.0° | 180.0° |
| C16 | C17 | C20 | C18 | 0.3° | 0.0° |
| C17 | C16 | C21 | C19 | 3.4° | 0.2° |
| C17 | C16 | C15 | H56 | 24.9° | 150.0° |
| C17 | C16 | C15 | H55 | 144.4° | 30.0° |
| C16 | C17 | C20 | H60 | 179.7° | 179.9° |
| C17 | C16 | C21 | H61 | 176.6° | 179.7° |
| C21 | C16 | C17 | C20 | 1.3° | 0.2° |
| C16 | C21 | C19 | C18 | 3.9° | 0.0° |
| C16 | C21 | C19 | H61 | 180.0° | 179.9° |
| C21 | C16 | C15 | H56 | 157.4° | 29.7° |
| C21 | C16 | C15 | H55 | 37.9° | 149.8° |
| C21 | C16 | C17 | H57 | 178.7° | 179.8° |
| C16 | C21 | C19 | H59 | 176.1° | 179.7° |
| C17 | C20 | C18 | C19 | 0.2° | 0.2° |
| C17 | C20 | C18 | H60 | 180.0° | 179.9° |
| C17 | C20 | C18 | H58 | 179.8° | 180.0° |
| C19 | C18 | C20 | H58 | 180.0° | 179.8° |
| C18 | C19 | C21 | H59 | 180.0° | 179.7° |
| C19 | C18 | C20 | H60 | 179.8° | 179.8° |
| C18 | C19 | C21 | H61 | 176.1° | 179.9° |
| C20 | C18 | C19 | C21 | 2.3° | 0.2° |
| C18 | C20 | C17 | H57 | 179.7° | 180.0° |
| C20 | C18 | C19 | H59 | 177.7° | 180.0° |
| C21 | C19 | C18 | H58 | 177.7° | 180.0° |
| C23 | C24 | N25 | O26 | 177.7° | 180.0° |
| C23 | C24 | N25 | C27 | 177.2° | 180.0° |
| C24 | C23 | H62 | H63 | 118.9° | 120.0° |
| C23 | C24 | N25 | H64 | 2.9° | 0.0° |
| C24 | N25 | C27 | H64 | 180.0° | 180.0° |
| N25 | C24 | C23 | H62 | 86.4° | 60.0° |
| N25 | C24 | C23 | H63 | 154.3° | 60.0° |
| C24 | N25 | C27 | H65 | 180.0° | 60.0° |
| C24 | N25 | C27 | H66 | 60.0° | 60.0° |
| C24 | N25 | C27 | H67 | 60.0° | 180.0° |
| O26 | C24 | N25 | C27 | 0.6° | 0.0° |
| O26 | C24 | C23 | H62 | 95.8° | 120.0° |
| O26 | C24 | C23 | H63 | 23.5° | 120.0° |
| O26 | C24 | N25 | H64 | 179.4° | 180.0° |
| N25 | C27 | H65 | H66 | 120.0° | 120.0° |
| N25 | C27 | H65 | H67 | 120.0° | 120.0° |
| N25 | C27 | H66 | H67 | 120.0° | 119.9° |
| C28 | C29 | C30 | C34 | 177.8° | 179.8° |
| C28 | C29 | C30 | C33 | 178.8° | 180.0° |
| C28 | C29 | C34 | C32 | 179.7° | 180.0° |
| C29 | C28 | N9 | H49 | 0.4° | 0.0° |
| C28 | C29 | C30 | H68 | 1.2° | 0.0° |
| C28 | C29 | C34 | H70 | 0.3° | 0.0° |
| O35 | C28 | C29 | C30 | 167.0° | 180.0° |
| O35 | C28 | C29 | C34 | 10.9° | 0.3° |
| O35 | C28 | N9 | H49 | 179.4° | 180.0° |
| C29 | C30 | C33 | H68 | 180.0° | 179.9° |
| C29 | C30 | C33 | C31 | 1.0° | 0.1° |
| C30 | C29 | C34 | C32 | 2.4° | 0.2° |
| C29 | C30 | C33 | H69 | 179.0° | 180.0° |
| C30 | C29 | C34 | H70 | 177.5° | 179.7° |
| C34 | C29 | C30 | C33 | 1.0° | 0.2° |
| C29 | C34 | C32 | C31 | 1.8° | 0.1° |
| C29 | C34 | C32 | H70 | 180.0° | 179.9° |
| C29 | C34 | C32 | C36 | 178.8° | 179.7° |
| C34 | C29 | C30 | H68 | 179.0° | 179.7° |
| C30 | C33 | C31 | C32 | 1.6° | 0.3° |
| C30 | C33 | C31 | H69 | 180.0° | 179.9° |
| C30 | C33 | C31 | CL40 | 177.3° | 180.0° |
| C32 | C31 | C33 | CL40 | 178.9° | 179.6° |
| C31 | C32 | C34 | C36 | 179.4° | 179.6° |
| C31 | C32 | C36 | F37 | 72.8° | 180.0° |
| C31 | C32 | C36 | F38 | 46.5° | 60.0° |
| C31 | C32 | C36 | F39 | 163.9° | 60.0° |
| C32 | C31 | C33 | H69 | 178.4° | 179.7° |
| C31 | C32 | C34 | H70 | 178.2° | 180.0° |
| C33 | C31 | C32 | C34 | 0.2° | 0.4° |
| C33 | C31 | C32 | C36 | 179.2° | 180.0° |
| C31 | C33 | C30 | H68 | 179.1° | 180.0° |
| CL40 | C31 | C32 | C34 | 178.6° | 180.0° |
| CL40 | C31 | C32 | C36 | 1.9° | 0.4° |
| CL40 | C31 | C33 | H69 | 2.7° | 0.1° |
| C34 | C32 | C36 | F37 | 107.7° | 0.3° |
| C34 | C32 | C36 | F38 | 133.0° | 119.7° |
| C34 | C32 | C36 | F39 | 15.6° | 120.3° |
| C32 | C36 | F37 | F38 | 124.7° | 120.0° |
| C32 | C36 | F37 | F39 | 128.0° | 120.0° |
| C32 | C36 | F38 | F39 | 124.7° | 120.0° |
| C36 | C32 | C34 | H70 | 1.2° | 0.4° |
| F37 | C36 | F38 | F39 | 110.1° | 120.0° |
| H50 | C10 | C11 | H52 | 52.7° | 73.4° |
| H50 | C10 | C11 | H53 | 172.2° | 46.0° |
| H51 | C10 | C11 | H52 | 68.2° | 47.4° |
| H51 | C10 | C11 | H53 | 51.3° | 166.7° |
| H56 | C15 | C14 | H54 | 170.5° | 65.3° |
| H55 | C15 | C14 | H54 | 69.9° | 174.7° |
| H57 | C17 | C20 | H60 | 0.3° | 0.0° |
| H58 | C18 | C19 | H59 | 2.3° | 0.2° |
| H58 | C18 | C20 | H60 | 0.2° | 0.0° |
| H59 | C19 | C21 | H61 | 3.9° | 0.3° |
| H65 | C27 | H66 | H67 | 119.9° | 120.0° |
| H65 | C27 | N25 | H64 | 0.1° | 120.0° |
| H66 | C27 | N25 | H64 | 120.0° | 120.0° |
| H67 | C27 | N25 | H64 | 120.0° | 0.0° |
| H42 | C1 | C2 | H43 | 38.3° | 0.0° |
| H42 | C1 | C5 | H48 | 16.8° | 24.2° |
| H41 | C1 | C2 | H43 | 84.1° | 121.5° |
| H41 | C1 | C5 | H48 | 105.6° | 145.7° |
| H43 | C2 | C3 | H45 | 75.9° | 98.4° |
| H43 | C2 | C3 | H44 | 45.9° | 24.2° |
| H43 | C2 | N9 | H49 | 147.1° | 146.4° |
| H45 | C3 | C4 | H47 | 35.0° | 38.3° |
| H45 | C3 | C4 | H46 | 86.9° | 85.1° |
| H44 | C3 | C4 | H47 | 156.8° | 160.9° |
| H44 | C3 | C4 | H46 | 34.9° | 37.5° |
| H47 | C4 | C5 | H48 | 132.7° | 160.9° |
| H46 | C4 | C5 | H48 | 10.8° | 37.5° |
| H68 | C30 | C33 | H69 | 0.9° | 0.0° |
