8VG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N46 | N47 | doub | 1.24Å | 1.31Å | |
| N46 | C41 | sing | 1.46Å | 1.49Å | |
| N47 | C41 | sing | 1.47Å | 1.49Å | |
| F43 | C42 | sing | 1.40Å | 1.37Å | |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| C41 | C38 | sing | 1.51Å | 1.51Å | |
| C42 | F45 | sing | 1.40Å | 1.35Å | |
| C42 | F44 | sing | 1.40Å | 1.35Å | |
| C39 | C38 | doub | 1.38Å | 1.38Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C40 | C35 | doub | 1.40Å | 1.38Å | Aromatic |
| C37 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| O32 | C30 | doub | 1.21Å | 1.26Å | |
| C35 | C36 | sing | 1.40Å | 1.37Å | Aromatic |
| C35 | C33 | sing | 1.48Å | 1.52Å | |
| N01 | C33 | sing | 1.35Å | 1.44Å | |
| N01 | C02 | sing | 1.47Å | 1.44Å | |
| C30 | C29 | sing | 1.51Å | 1.51Å | |
| C30 | O31 | sing | 1.34Å | 1.27Å | |
| C20 | C02 | sing | 1.53Å | 1.51Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| O04 | C03 | doub | 1.21Å | 1.21Å | |
| C33 | O34 | doub | 1.22Å | 1.19Å | |
| C22 | C21 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C27 | C25 | sing | 1.51Å | 1.52Å | |
| N24 | C23 | sing | 1.46Å | 1.46Å | |
| N24 | C25 | sing | 1.35Å | 1.41Å | |
| C02 | C03 | sing | 1.51Å | 1.52Å | |
| C03 | N05 | sing | 1.35Å | 1.44Å | |
| C25 | S26 | doub | 1.60Å | 1.60Å | |
| N05 | C06 | sing | 1.47Å | 1.44Å | |
| C06 | C13 | sing | 1.51Å | 1.53Å | |
| C06 | C07 | sing | 1.51Å | 1.50Å | |
| C18 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | O19 | sing | 1.36Å | 1.41Å | |
| C07 | N09 | sing | 1.35Å | 1.44Å | |
| C07 | O08 | doub | 1.21Å | 1.19Å | |
| N09 | C10 | sing | 1.46Å | 1.48Å | |
| C12 | C11 | trip | 1.17Å | 1.19Å | |
| C11 | C10 | sing | 1.47Å | 1.53Å | |
| N01 | H1 | sing | 0.97Å | 1.00Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| N05 | H3 | sing | 0.97Å | 1.00Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| N09 | H5 | sing | 0.97Å | 1.00Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.05Å | 1.06Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| O19 | H13 | sing | 0.97Å | 0.95Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| N24 | H22 | sing | 0.97Å | 1.00Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| O31 | H29 | sing | 0.97Å | 0.95Å | |
| C36 | H30 | sing | 1.08Å | 1.08Å | |
| C37 | H31 | sing | 1.08Å | 1.08Å | |
| C39 | H32 | sing | 1.08Å | 1.08Å | |
| C40 | H33 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N47 | N46 | C41 | 64.3° | 65.0° |
| N46 | N47 | C41 | 63.7° | 64.9° |
| N46 | C41 | N47 | 52.0° | 50.2° |
| N46 | C41 | C42 | 110.0° | 118.6° |
| N46 | C41 | C38 | 127.8° | 118.6° |
| N47 | C41 | C42 | 112.2° | 118.6° |
| N47 | C41 | C38 | 124.9° | 118.6° |
| F43 | C42 | C41 | 108.0° | 109.5° |
| F43 | C42 | F45 | 109.2° | 109.5° |
| F43 | C42 | F44 | 109.8° | 109.5° |
| C42 | C41 | C38 | 115.2° | 116.2° |
| C41 | C42 | F45 | 110.0° | 109.4° |
| C41 | C42 | F44 | 112.3° | 109.5° |
| C41 | C38 | C39 | 114.6° | 119.8° |
| C41 | C38 | C37 | 124.2° | 119.8° |
| F45 | C42 | F44 | 107.5° | 109.5° |
| C38 | C39 | C40 | 119.1° | 120.1° |
| C39 | C38 | C37 | 121.2° | 120.3° |
| C38 | C39 | H32 | 120.5° | 120.0° |
| C39 | C40 | C35 | 119.7° | 119.9° |
| C40 | C39 | H32 | 120.5° | 119.9° |
| C39 | C40 | H33 | 120.2° | 120.1° |
| C38 | C37 | C36 | 119.2° | 120.2° |
| C38 | C37 | H31 | 120.4° | 119.9° |
| C40 | C35 | C36 | 120.9° | 119.7° |
| C40 | C35 | C33 | 119.6° | 120.2° |
| C35 | C40 | H33 | 120.1° | 120.1° |
| C37 | C36 | C35 | 119.9° | 119.8° |
| C37 | C36 | H30 | 120.1° | 120.1° |
| C36 | C37 | H31 | 120.5° | 119.9° |
| O32 | C30 | C29 | 117.7° | 120.0° |
| O32 | C30 | O31 | 124.0° | 119.9° |
| C36 | C35 | C33 | 119.5° | 120.1° |
| C35 | C36 | H30 | 120.0° | 120.1° |
| C35 | C33 | N01 | 116.8° | 120.0° |
| C35 | C33 | O34 | 120.7° | 120.0° |
| C33 | N01 | C02 | 117.0° | 120.0° |
| N01 | C33 | O34 | 122.4° | 120.0° |
| C33 | N01 | H1 | 121.5° | 120.0° |
| N01 | C02 | C20 | 107.5° | 109.5° |
| N01 | C02 | C03 | 106.8° | 109.5° |
| C02 | N01 | H1 | 121.5° | 120.0° |
| N01 | C02 | H2 | 111.0° | 109.4° |
| C29 | C30 | O31 | 118.1° | 120.0° |
| C30 | C29 | C28 | 102.5° | 109.5° |
| C30 | C29 | H27 | 111.2° | 109.5° |
| C30 | C29 | H28 | 111.2° | 109.4° |
| C30 | O31 | H29 | 109.5° | 117.0° |
| C02 | C20 | C21 | 109.8° | 109.5° |
| C20 | C02 | C03 | 111.7° | 109.5° |
| C20 | C02 | H2 | 109.9° | 109.5° |
| C02 | C20 | H14 | 109.4° | 109.5° |
| C02 | C20 | H15 | 109.4° | 109.5° |
| C20 | C21 | C22 | 109.4° | 109.5° |
| C21 | C20 | H14 | 109.4° | 109.4° |
| C21 | C20 | H15 | 109.4° | 109.4° |
| C20 | C21 | H16 | 109.5° | 109.5° |
| C20 | C21 | H17 | 109.5° | 109.5° |
| C29 | C28 | C27 | 110.0° | 109.5° |
| C29 | C28 | H25 | 109.3° | 109.5° |
| C29 | C28 | H26 | 109.3° | 109.4° |
| C28 | C29 | H27 | 111.2° | 109.5° |
| C28 | C29 | H28 | 111.2° | 109.5° |
| O04 | C03 | C02 | 125.1° | 120.0° |
| O04 | C03 | N05 | 119.8° | 120.0° |
| C21 | C22 | C23 | 108.6° | 109.5° |
| C22 | C21 | H16 | 109.5° | 109.5° |
| C22 | C21 | H17 | 109.5° | 109.5° |
| C21 | C22 | H18 | 109.7° | 109.5° |
| C21 | C22 | H19 | 109.7° | 109.5° |
| C22 | C23 | N24 | 107.4° | 109.5° |
| C23 | C22 | H18 | 109.7° | 109.5° |
| C23 | C22 | H19 | 109.7° | 109.5° |
| C22 | C23 | H20 | 110.0° | 109.4° |
| C22 | C23 | H21 | 110.0° | 109.4° |
| C28 | C27 | C25 | 111.2° | 109.5° |
| C28 | C27 | H23 | 109.1° | 109.4° |
| C28 | C27 | H24 | 109.1° | 109.4° |
| C27 | C28 | H25 | 109.3° | 109.5° |
| C27 | C28 | H26 | 109.3° | 109.5° |
| C27 | C25 | N24 | 114.0° | 120.0° |
| C27 | C25 | S26 | 123.5° | 120.0° |
| C25 | C27 | H23 | 109.1° | 109.5° |
| C25 | C27 | H24 | 109.0° | 109.5° |
| C23 | N24 | C25 | 119.4° | 120.0° |
| N24 | C23 | H20 | 110.0° | 109.5° |
| N24 | C23 | H21 | 110.0° | 109.5° |
| C23 | N24 | H22 | 120.3° | 120.0° |
| N24 | C25 | S26 | 122.5° | 120.0° |
| C25 | N24 | H22 | 120.3° | 120.0° |
| C02 | C03 | N05 | 115.1° | 120.0° |
| C03 | C02 | H2 | 109.8° | 109.5° |
| C03 | N05 | C06 | 119.2° | 120.0° |
| C03 | N05 | H3 | 120.4° | 120.0° |
| N05 | C06 | C13 | 110.8° | 109.5° |
| N05 | C06 | C07 | 107.3° | 109.5° |
| C06 | N05 | H3 | 120.4° | 120.0° |
| N05 | C06 | H4 | 111.7° | 109.4° |
| C13 | C06 | C07 | 105.8° | 109.5° |
| C06 | C13 | C18 | 118.6° | 119.9° |
| C06 | C13 | C14 | 120.0° | 119.9° |
| C13 | C06 | H4 | 110.3° | 109.5° |
| C06 | C07 | N09 | 116.3° | 120.0° |
| C06 | C07 | O08 | 119.7° | 120.0° |
| C07 | C06 | H4 | 110.7° | 109.5° |
| C13 | C18 | C17 | 118.7° | 120.0° |
| C18 | C13 | C14 | 121.5° | 120.2° |
| C13 | C18 | H12 | 120.7° | 120.0° |
| C18 | C17 | C16 | 120.1° | 119.9° |
| C18 | C17 | H11 | 120.0° | 120.0° |
| C17 | C18 | H12 | 120.6° | 120.0° |
| C13 | C14 | C15 | 119.9° | 120.0° |
| C13 | C14 | H9 | 120.1° | 120.0° |
| C17 | C16 | C15 | 121.1° | 119.9° |
| C17 | C16 | O19 | 119.1° | 120.0° |
| C16 | C17 | H11 | 120.0° | 120.0° |
| C14 | C15 | C16 | 118.8° | 120.0° |
| C15 | C14 | H9 | 120.1° | 120.0° |
| C14 | C15 | H10 | 120.6° | 120.0° |
| C15 | C16 | O19 | 119.8° | 120.1° |
| C16 | C15 | H10 | 120.6° | 120.0° |
| C16 | O19 | H13 | 109.5° | 114.0° |
| N09 | C07 | O08 | 123.9° | 120.0° |
| C07 | N09 | C10 | 118.2° | 120.0° |
| C07 | N09 | H5 | 120.9° | 120.0° |
| N09 | C10 | C11 | 112.1° | 109.5° |
| C10 | N09 | H5 | 120.9° | 120.0° |
| N09 | C10 | H6 | 108.8° | 109.5° |
| N09 | C10 | H7 | 108.8° | 109.5° |
| C12 | C11 | C10 | 179.8° | 179.9° |
| C11 | C12 | H8 | 180.0° | 179.9° |
| C11 | C10 | H6 | 108.8° | 109.5° |
| C11 | C10 | H7 | 108.8° | 109.4° |
| H6 | C10 | H7 | 109.5° | 109.5° |
| H14 | C20 | H15 | 109.5° | 109.5° |
| H16 | C21 | H17 | 109.5° | 109.4° |
| H18 | C22 | H19 | 109.5° | 109.4° |
| H20 | C23 | H21 | 109.5° | 109.5° |
| H23 | C27 | H24 | 109.4° | 109.4° |
| H25 | C28 | H26 | 109.5° | 109.5° |
| H27 | C29 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N47 | N46 | C41 | C42 | 103.0° | 104.8° |
| N47 | N46 | C41 | C38 | 108.3° | 104.8° |
| N46 | C41 | C42 | F43 | 26.1° | 28.9° |
| N46 | C41 | C42 | C38 | 153.0° | 151.2° |
| N46 | C41 | C42 | F45 | 93.0° | 148.9° |
| N46 | C41 | C42 | F44 | 147.3° | 91.2° |
| N46 | C41 | C38 | C39 | 31.4° | 118.8° |
| N46 | C41 | C38 | C37 | 150.0° | 61.1° |
| N47 | C41 | C42 | F43 | 30.0° | 28.9° |
| N47 | C41 | C42 | C38 | 151.0° | 151.1° |
| N47 | C41 | C42 | F45 | 149.0° | 91.1° |
| N47 | C41 | C42 | F44 | 91.3° | 148.9° |
| N47 | C41 | C38 | C39 | 34.5° | 61.1° |
| N47 | C41 | C38 | C37 | 144.1° | 118.9° |
| F43 | C42 | C41 | F45 | 119.1° | 120.0° |
| F43 | C42 | C41 | F44 | 121.3° | 120.0° |
| F43 | C42 | C41 | C38 | 179.0° | 180.0° |
| F43 | C42 | F45 | F44 | 119.1° | 120.0° |
| C41 | C42 | F45 | F44 | 122.5° | 120.0° |
| C42 | C41 | C38 | C39 | 178.7° | 90.0° |
| C42 | C41 | C38 | C37 | 2.7° | 90.0° |
| C38 | C41 | C42 | F45 | 59.9° | 60.0° |
| C38 | C41 | C42 | F44 | 59.7° | 60.0° |
| C41 | C38 | C39 | C37 | 178.7° | 180.0° |
| C41 | C38 | C39 | C40 | 178.7° | 179.8° |
| C41 | C38 | C37 | C36 | 179.9° | 180.0° |
| C41 | C38 | C37 | H31 | 0.1° | 0.0° |
| C41 | C38 | C39 | H32 | 1.3° | 0.0° |
| C38 | C39 | C40 | H32 | 180.0° | 179.8° |
| C38 | C39 | C40 | C35 | 0.6° | 0.6° |
| C39 | C38 | C37 | C36 | 1.3° | 0.0° |
| C39 | C38 | C37 | H31 | 178.7° | 180.0° |
| C38 | C39 | C40 | H33 | 179.4° | 180.0° |
| C40 | C39 | C38 | C37 | 0.0° | 0.2° |
| C39 | C40 | C35 | H33 | 180.0° | 179.5° |
| C39 | C40 | C35 | C36 | 0.0° | 0.6° |
| C39 | C40 | C35 | C33 | 179.7° | 179.8° |
| C38 | C37 | C36 | H31 | 180.0° | 180.0° |
| C38 | C37 | C36 | C35 | 1.9° | 0.0° |
| C38 | C37 | C36 | H30 | 178.0° | 180.0° |
| C37 | C38 | C39 | H32 | 180.0° | 180.0° |
| C40 | C35 | C36 | C37 | 1.3° | 0.3° |
| C40 | C35 | C36 | C33 | 179.7° | 179.7° |
| C40 | C35 | C33 | N01 | 30.0° | 0.0° |
| C40 | C35 | C33 | O34 | 147.6° | 179.7° |
| C40 | C35 | C36 | H30 | 178.7° | 179.7° |
| C35 | C40 | C39 | H32 | 179.3° | 179.7° |
| C37 | C36 | C35 | H30 | 180.0° | 180.0° |
| C37 | C36 | C35 | C33 | 178.4° | 180.0° |
| O32 | C30 | C29 | O31 | 175.6° | 179.9° |
| O32 | C30 | C29 | C28 | 118.7° | 0.0° |
| O32 | C30 | C29 | H27 | 122.4° | 120.0° |
| O32 | C30 | C29 | H28 | 0.1° | 120.0° |
| O32 | C30 | O31 | H29 | 0.0° | 0.1° |
| C36 | C35 | C33 | N01 | 150.3° | 179.7° |
| C36 | C35 | C33 | O34 | 32.0° | 0.0° |
| C35 | C36 | C37 | H31 | 178.0° | 180.0° |
| C36 | C35 | C40 | H33 | 180.0° | 180.0° |
| C35 | C33 | N01 | O34 | 177.6° | 179.7° |
| C35 | C33 | N01 | C02 | 177.8° | 179.7° |
| C35 | C33 | N01 | H1 | 2.2° | 0.3° |
| C33 | C35 | C36 | H30 | 1.6° | 0.1° |
| C33 | C35 | C40 | H33 | 0.3° | 0.3° |
| C33 | N01 | C02 | H1 | 180.0° | 180.0° |
| C33 | N01 | C02 | C20 | 163.3° | 155.0° |
| C33 | N01 | C02 | C03 | 76.7° | 85.0° |
| C33 | N01 | C02 | H2 | 43.0° | 35.0° |
| N01 | C02 | C20 | C03 | 116.9° | 120.0° |
| N01 | C02 | C20 | H2 | 120.9° | 120.0° |
| N01 | C02 | C20 | C21 | 179.0° | 65.0° |
| N01 | C02 | C03 | O04 | 47.9° | 0.0° |
| C02 | N01 | C33 | O34 | 0.2° | 0.0° |
| N01 | C02 | C03 | H2 | 120.5° | 120.0° |
| N01 | C02 | C03 | N05 | 130.6° | 180.0° |
| N01 | C02 | C20 | H14 | 59.0° | 55.0° |
| N01 | C02 | C20 | H15 | 60.9° | 175.1° |
| C30 | C29 | C28 | H27 | 118.8° | 120.0° |
| C30 | C29 | C28 | H28 | 118.9° | 119.9° |
| C30 | C29 | C28 | C27 | 171.1° | 180.0° |
| C30 | C29 | C28 | H25 | 51.0° | 60.0° |
| C30 | C29 | C28 | H26 | 68.8° | 60.0° |
| C30 | C29 | H27 | H28 | 123.2° | 120.0° |
| C29 | C30 | O31 | H29 | 175.3° | 179.9° |
| O31 | C30 | C29 | C28 | 56.8° | 180.0° |
| O31 | C30 | C29 | H27 | 62.0° | 60.0° |
| O31 | C30 | C29 | H28 | 175.7° | 60.0° |
| C02 | C20 | C21 | H14 | 120.1° | 120.1° |
| C02 | C20 | C21 | H15 | 120.1° | 120.0° |
| C20 | C02 | C03 | O04 | 69.4° | 119.9° |
| C02 | C20 | C21 | C22 | 174.2° | 180.0° |
| C20 | C02 | C03 | H2 | 122.2° | 120.1° |
| C20 | C02 | C03 | N05 | 112.0° | 60.0° |
| C20 | C02 | N01 | H1 | 16.7° | 25.0° |
| C02 | C20 | H14 | H15 | 119.9° | 120.0° |
| C02 | C20 | C21 | H16 | 65.7° | 60.0° |
| C02 | C20 | C21 | H17 | 54.3° | 60.0° |
| C20 | C21 | C22 | H16 | 120.0° | 120.0° |
| C20 | C21 | C22 | H17 | 120.0° | 120.0° |
| C20 | C21 | C22 | C23 | 179.9° | 180.0° |
| C21 | C20 | C02 | C03 | 64.0° | 175.0° |
| C21 | C20 | C02 | H2 | 58.1° | 55.0° |
| C21 | C20 | H14 | H15 | 119.8° | 119.9° |
| C20 | C21 | H16 | H17 | 120.0° | 120.0° |
| C20 | C21 | C22 | H18 | 60.2° | 60.0° |
| C20 | C21 | C22 | H19 | 60.0° | 60.0° |
| C29 | C28 | C27 | H25 | 120.1° | 120.0° |
| C29 | C28 | C27 | H26 | 120.1° | 120.0° |
| C29 | C28 | C27 | C25 | 62.3° | 180.0° |
| C29 | C28 | C27 | H23 | 58.0° | 59.9° |
| C29 | C28 | C27 | H24 | 177.4° | 60.0° |
| C29 | C28 | H25 | H26 | 119.7° | 120.0° |
| C28 | C29 | H27 | H28 | 123.3° | 120.0° |
| O04 | C03 | C02 | N05 | 178.5° | 179.9° |
| O04 | C03 | N05 | C06 | 1.4° | 5.3° |
| O04 | C03 | C02 | H2 | 168.3° | 120.0° |
| O04 | C03 | N05 | H3 | 178.6° | 174.7° |
| O34 | C33 | N01 | H1 | 179.8° | 180.0° |
| C21 | C22 | C23 | H18 | 119.9° | 120.0° |
| C21 | C22 | C23 | H19 | 119.9° | 120.0° |
| C21 | C22 | C23 | N24 | 177.7° | 180.0° |
| C22 | C21 | C20 | H14 | 54.2° | 60.0° |
| C22 | C21 | C20 | H15 | 65.7° | 60.0° |
| C22 | C21 | H16 | H17 | 120.0° | 120.0° |
| C21 | C22 | H18 | H19 | 120.4° | 120.0° |
| C21 | C22 | C23 | H20 | 58.1° | 60.0° |
| C21 | C22 | C23 | H21 | 62.6° | 60.0° |
| C22 | C23 | N24 | H20 | 119.7° | 119.9° |
| C22 | C23 | N24 | H21 | 119.7° | 120.0° |
| C22 | C23 | N24 | C25 | 164.2° | 180.0° |
| C23 | C22 | C21 | H16 | 59.8° | 60.0° |
| C23 | C22 | C21 | H17 | 60.1° | 60.0° |
| C23 | C22 | H18 | H19 | 120.4° | 120.0° |
| C22 | C23 | H20 | H21 | 121.0° | 119.9° |
| C22 | C23 | N24 | H22 | 15.8° | 0.1° |
| C28 | C27 | C25 | H23 | 120.3° | 120.0° |
| C28 | C27 | C25 | H24 | 120.3° | 120.0° |
| C28 | C27 | C25 | N24 | 124.8° | 180.0° |
| C28 | C27 | C25 | S26 | 58.6° | 0.0° |
| C28 | C27 | H23 | H24 | 119.2° | 119.9° |
| C27 | C28 | H25 | H26 | 119.7° | 120.0° |
| C27 | C28 | C29 | H27 | 70.1° | 60.0° |
| C27 | C28 | C29 | H28 | 52.2° | 60.0° |
| C27 | C25 | N24 | C23 | 171.3° | 180.0° |
| C27 | C25 | N24 | S26 | 176.7° | 179.9° |
| C27 | C25 | N24 | H22 | 8.7° | 0.1° |
| C25 | C27 | H23 | H24 | 119.2° | 120.1° |
| C25 | C27 | C28 | H25 | 177.6° | 60.0° |
| C25 | C27 | C28 | H26 | 57.8° | 60.0° |
| C23 | N24 | C25 | H22 | 180.0° | 179.9° |
| C23 | N24 | C25 | S26 | 5.4° | 0.1° |
| N24 | C23 | C22 | H18 | 62.4° | 60.0° |
| N24 | C23 | C22 | H19 | 57.9° | 60.0° |
| N24 | C23 | H20 | H21 | 121.0° | 120.1° |
| C25 | N24 | C23 | H20 | 76.1° | 60.1° |
| C25 | N24 | C23 | H21 | 44.6° | 59.9° |
| N24 | C25 | C27 | H23 | 4.5° | 60.0° |
| N24 | C25 | C27 | H24 | 114.9° | 60.0° |
| C02 | C03 | N05 | C06 | 177.2° | 174.7° |
| C03 | C02 | N01 | H1 | 103.3° | 95.0° |
| C02 | C03 | N05 | H3 | 2.8° | 5.4° |
| C03 | C02 | C20 | H14 | 175.9° | 65.0° |
| C03 | C02 | C20 | H15 | 56.0° | 55.1° |
| C03 | N05 | C06 | H3 | 180.0° | 179.9° |
| C03 | N05 | C06 | C13 | 86.4° | 87.9° |
| C03 | N05 | C06 | C07 | 158.5° | 152.1° |
| N05 | C03 | C02 | H2 | 10.2° | 60.1° |
| C03 | N05 | C06 | H4 | 37.0° | 32.1° |
| S26 | C25 | N24 | H22 | 174.6° | 179.9° |
| S26 | C25 | C27 | H23 | 178.9° | 120.0° |
| S26 | C25 | C27 | H24 | 61.7° | 120.0° |
| N05 | C06 | C13 | C07 | 116.0° | 120.0° |
| N05 | C06 | C13 | H4 | 124.2° | 119.9° |
| N05 | C06 | C07 | H4 | 122.1° | 120.0° |
| N05 | C06 | C13 | C18 | 155.8° | 45.2° |
| N05 | C06 | C13 | C14 | 23.3° | 134.6° |
| N05 | C06 | C07 | N09 | 149.1° | 160.0° |
| N05 | C06 | C07 | O08 | 31.6° | 20.0° |
| C13 | C06 | C07 | H4 | 119.5° | 120.0° |
| C06 | C13 | C18 | C14 | 179.0° | 179.8° |
| C06 | C13 | C18 | C17 | 179.8° | 179.7° |
| C06 | C13 | C14 | C15 | 179.9° | 180.0° |
| C13 | C06 | C07 | N09 | 92.6° | 80.0° |
| C13 | C06 | C07 | O08 | 86.8° | 100.0° |
| C13 | C06 | N05 | H3 | 93.6° | 92.0° |
| C06 | C13 | C14 | H9 | 0.1° | 0.1° |
| C06 | C13 | C18 | H12 | 0.2° | 0.1° |
| C07 | C06 | C13 | C18 | 88.2° | 74.8° |
| C07 | C06 | C13 | C14 | 92.7° | 105.4° |
| C06 | C07 | N09 | O08 | 179.3° | 180.0° |
| C06 | C07 | N09 | C10 | 178.6° | 180.0° |
| C07 | C06 | N05 | H3 | 21.5° | 28.0° |
| C06 | C07 | N09 | H5 | 1.5° | 0.0° |
| C13 | C18 | C17 | H12 | 180.0° | 179.8° |
| C13 | C18 | C17 | C16 | 0.7° | 0.5° |
| C18 | C13 | C14 | C15 | 1.1° | 0.2° |
| C18 | C13 | C06 | H4 | 31.5° | 165.1° |
| C18 | C13 | C14 | H9 | 178.9° | 179.7° |
| C13 | C18 | C17 | H11 | 179.3° | 179.7° |
| C17 | C18 | C13 | C14 | 1.2° | 0.5° |
| C18 | C17 | C16 | H11 | 180.0° | 179.8° |
| C18 | C17 | C16 | C15 | 0.2° | 0.2° |
| C18 | C17 | C16 | O19 | 179.8° | 179.7° |
| C13 | C14 | C15 | H9 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.6° | 0.1° |
| C14 | C13 | C06 | H4 | 147.5° | 14.7° |
| C13 | C14 | C15 | H10 | 179.4° | 180.0° |
| C14 | C13 | C18 | H12 | 178.8° | 179.7° |
| C17 | C16 | C15 | C14 | 0.1° | 0.1° |
| C17 | C16 | C15 | O19 | 180.0° | 180.0° |
| C17 | C16 | C15 | H10 | 179.8° | 180.0° |
| C16 | C17 | C18 | H12 | 179.3° | 179.7° |
| C17 | C16 | O19 | H13 | 180.0° | 90.0° |
| C14 | C15 | C16 | H10 | 180.0° | 179.9° |
| C14 | C15 | C16 | O19 | 179.9° | 180.0° |
| C16 | C15 | C14 | H9 | 179.4° | 180.0° |
| C15 | C16 | C17 | H11 | 179.8° | 180.0° |
| C15 | C16 | O19 | H13 | 0.1° | 90.0° |
| O19 | C16 | C15 | H10 | 0.1° | 0.1° |
| O19 | C16 | C17 | H11 | 0.2° | 0.1° |
| C07 | N09 | C10 | H5 | 180.0° | 180.0° |
| C07 | N09 | C10 | C11 | 107.7° | 180.0° |
| N09 | C07 | C06 | H4 | 27.0° | 40.0° |
| C07 | N09 | C10 | H6 | 131.9° | 60.0° |
| C07 | N09 | C10 | H7 | 12.7° | 60.0° |
| O08 | C07 | N09 | C10 | 0.8° | 0.0° |
| O08 | C07 | C06 | H4 | 153.7° | 140.0° |
| O08 | C07 | N09 | H5 | 179.2° | 180.0° |
| N09 | C10 | C11 | C12 | 123.2° | 7.4° |
| N09 | C10 | C11 | H6 | 120.4° | 120.0° |
| N09 | C10 | C11 | H7 | 120.4° | 120.0° |
| N09 | C10 | H6 | H7 | 118.8° | 120.0° |
| C12 | C11 | C10 | H6 | 2.9° | 112.7° |
| C12 | C11 | C10 | H7 | 116.4° | 127.4° |
| C11 | C10 | N09 | H5 | 72.3° | 0.0° |
| C11 | C10 | H6 | H7 | 118.8° | 120.0° |
| C10 | C11 | C12 | H8 | 92.2° | 166.1° |
| H1 | N01 | C02 | H2 | 137.0° | 145.0° |
| H2 | C02 | C20 | H14 | 62.0° | 175.0° |
| H2 | C02 | C20 | H15 | 178.1° | 65.0° |
| H3 | N05 | C06 | H4 | 143.0° | 148.0° |
| H5 | N09 | C10 | H6 | 48.1° | 120.0° |
| H5 | N09 | C10 | H7 | 167.4° | 120.0° |
| H9 | C14 | C15 | H10 | 0.6° | 0.1° |
| H11 | C17 | C18 | H12 | 0.7° | 0.1° |
| H14 | C20 | C21 | H16 | 174.2° | 180.0° |
| H14 | C20 | C21 | H17 | 65.8° | 60.1° |
| H15 | C20 | C21 | H16 | 54.3° | 60.0° |
| H15 | C20 | C21 | H17 | 174.3° | 180.0° |
| H16 | C21 | C22 | H18 | 179.7° | 180.0° |
| H16 | C21 | C22 | H19 | 60.0° | 60.1° |
| H17 | C21 | C22 | H18 | 59.7° | 60.1° |
| H17 | C21 | C22 | H19 | 180.0° | 180.0° |
| H18 | C22 | C23 | H20 | 178.0° | 180.0° |
| H18 | C22 | C23 | H21 | 57.3° | 60.1° |
| H19 | C22 | C23 | H20 | 61.8° | 60.0° |
| H19 | C22 | C23 | H21 | 177.5° | 180.0° |
| H20 | C23 | N24 | H22 | 103.9° | 120.0° |
| H21 | C23 | N24 | H22 | 135.4° | 119.9° |
| H23 | C27 | C28 | H25 | 62.1° | 180.0° |
| H23 | C27 | C28 | H26 | 178.1° | 60.0° |
| H24 | C27 | C28 | H25 | 57.3° | 60.1° |
| H24 | C27 | C28 | H26 | 62.5° | 179.9° |
| H25 | C28 | C29 | H27 | 169.8° | 180.0° |
| H25 | C28 | C29 | H28 | 67.9° | 60.0° |
| H26 | C28 | C29 | H27 | 50.0° | 60.0° |
| H26 | C28 | C29 | H28 | 172.3° | 180.0° |
| H30 | C36 | C37 | H31 | 2.0° | 0.0° |
| H32 | C39 | C40 | H33 | 0.6° | 0.2° |
