YW1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C22 | sing | 1.53Å | 1.51Å | |
| O23 | C22 | sing | 1.43Å | 1.44Å | |
| O23 | C24 | sing | 1.43Å | 1.44Å | |
| C26 | C24 | sing | 1.53Å | 1.51Å | |
| C22 | C21 | sing | 1.53Å | 1.56Å | |
| C24 | C25 | sing | 1.53Å | 1.57Å | |
| C21 | N19 | sing | 1.47Å | 1.46Å | |
| C25 | N19 | sing | 1.47Å | 1.46Å | |
| C30 | C31 | sing | 1.53Å | 1.48Å | |
| C30 | C29 | sing | 1.53Å | 1.48Å | |
| N19 | C18 | sing | 1.35Å | 1.36Å | |
| C31 | C29 | sing | 1.53Å | 1.49Å | |
| C29 | C28 | sing | 1.53Å | 1.51Å | |
| C18 | C8 | sing | 1.48Å | 1.50Å | |
| C18 | O20 | doub | 1.22Å | 1.22Å | |
| C8 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | N14 | sing | 1.47Å | 1.47Å | |
| C9 | C10 | doub | 1.36Å | 1.38Å | Aromatic |
| C12 | N14 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
| N14 | C1 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| N17 | C7 | sing | 1.35Å | 1.34Å | |
| C11 | C2 | sing | 1.47Å | 1.46Å | Aromatic |
| C1 | C2 | doub | 1.40Å | 1.42Å | Aromatic |
| C1 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.47Å | 1.50Å | |
| C7 | O16 | doub | 1.22Å | 1.23Å | |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C36 | C35 | sing | 1.51Å | 1.49Å | |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C15 | sing | 1.48Å | 1.48Å | |
| C35 | C15 | sing | 1.42Å | 1.45Å | Aromatic |
| C35 | N34 | doub | 1.30Å | 1.30Å | Aromatic |
| C15 | C32 | doub | 1.37Å | 1.36Å | Aromatic |
| N34 | O33 | sing | 1.21Å | 1.43Å | Aromatic |
| C32 | O33 | sing | 1.34Å | 1.36Å | Aromatic |
| C32 | C37 | sing | 1.51Å | 1.48Å | |
| C13 | H42 | sing | 1.08Å | 1.08Å | |
| C21 | H45 | sing | 1.09Å | 1.10Å | |
| C21 | H46 | sing | 1.09Å | 1.10Å | |
| C22 | H47 | sing | 1.09Å | 1.10Å | |
| C24 | H48 | sing | 1.09Å | 1.10Å | |
| C27 | H55 | sing | 1.09Å | 1.10Å | |
| C27 | H54 | sing | 1.09Å | 1.10Å | |
| C27 | H56 | sing | 1.09Å | 1.10Å | |
| C3 | H38 | sing | 1.08Å | 1.08Å | |
| C5 | H39 | sing | 1.08Å | 1.08Å | |
| C9 | H40 | sing | 1.08Å | 1.08Å | |
| C10 | H41 | sing | 1.08Å | 1.08Å | |
| N17 | H43 | sing | 0.97Å | 1.00Å | |
| N17 | H44 | sing | 0.97Å | 1.00Å | |
| C25 | H50 | sing | 1.09Å | 1.10Å | |
| C25 | H49 | sing | 1.09Å | 1.10Å | |
| C26 | H53 | sing | 1.09Å | 1.10Å | |
| C26 | H51 | sing | 1.09Å | 1.10Å | |
| C26 | H52 | sing | 1.09Å | 1.10Å | |
| C28 | H57 | sing | 1.09Å | 1.10Å | |
| C28 | H58 | sing | 1.09Å | 1.10Å | |
| C29 | H59 | sing | 1.09Å | 1.10Å | |
| C30 | H60 | sing | 1.09Å | 1.10Å | |
| C30 | H61 | sing | 1.09Å | 1.10Å | |
| C31 | H62 | sing | 1.09Å | 1.10Å | |
| C31 | H63 | sing | 1.09Å | 1.10Å | |
| C36 | H65 | sing | 1.09Å | 1.10Å | |
| C36 | H64 | sing | 1.09Å | 1.10Å | |
| C36 | H66 | sing | 1.09Å | 1.10Å | |
| C37 | H69 | sing | 1.09Å | 1.10Å | |
| C37 | H68 | sing | 1.09Å | 1.10Å | |
| C37 | H67 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C22 | O23 | 106.9° | 109.5° |
| C27 | C22 | C21 | 110.1° | 109.5° |
| C27 | C22 | H47 | 110.0° | 109.5° |
| C22 | C27 | H55 | 109.5° | 109.5° |
| C22 | C27 | H54 | 109.4° | 109.5° |
| C22 | C27 | H56 | 109.5° | 109.5° |
| C22 | O23 | C24 | 111.8° | 114.2° |
| O23 | C22 | C21 | 109.5° | 109.2° |
| O23 | C22 | H47 | 111.0° | 109.5° |
| O23 | C24 | C26 | 107.1° | 109.6° |
| O23 | C24 | C25 | 108.1° | 109.2° |
| O23 | C24 | H48 | 111.2° | 109.5° |
| C26 | C24 | C25 | 110.9° | 109.5° |
| C26 | C24 | H48 | 110.1° | 109.5° |
| C24 | C26 | H53 | 109.5° | 109.5° |
| C24 | C26 | H51 | 109.5° | 109.4° |
| C24 | C26 | H52 | 109.5° | 109.5° |
| C22 | C21 | N19 | 111.4° | 108.4° |
| C22 | C21 | H45 | 109.0° | 109.6° |
| C22 | C21 | H46 | 109.0° | 109.7° |
| C21 | C22 | H47 | 109.3° | 109.5° |
| C24 | C25 | N19 | 109.9° | 108.4° |
| C25 | C24 | H48 | 109.4° | 109.5° |
| C24 | C25 | H50 | 109.4° | 109.6° |
| C24 | C25 | H49 | 109.3° | 109.7° |
| C21 | N19 | C25 | 111.6° | 118.0° |
| C21 | N19 | C18 | 128.3° | 121.0° |
| N19 | C21 | H45 | 109.0° | 109.7° |
| N19 | C21 | H46 | 109.0° | 109.7° |
| C25 | N19 | C18 | 120.0° | 121.0° |
| N19 | C25 | H50 | 109.4° | 109.7° |
| N19 | C25 | H49 | 109.3° | 109.7° |
| C31 | C30 | C29 | 60.7° | 60.0° |
| C30 | C31 | C29 | 59.5° | 59.9° |
| C31 | C30 | H60 | 119.9° | 117.5° |
| C31 | C30 | H61 | 119.9° | 117.5° |
| C30 | C31 | H62 | 120.1° | 117.5° |
| C30 | C31 | H63 | 120.1° | 117.5° |
| C30 | C29 | C31 | 59.8° | 60.0° |
| C30 | C29 | C28 | 119.2° | 117.5° |
| C30 | C29 | H59 | 115.6° | 117.5° |
| C29 | C30 | H60 | 119.9° | 117.5° |
| C29 | C30 | H61 | 119.9° | 117.5° |
| N19 | C18 | C8 | 120.1° | 120.0° |
| N19 | C18 | O20 | 121.5° | 120.0° |
| C31 | C29 | C28 | 120.7° | 117.5° |
| C31 | C29 | H59 | 115.3° | 117.5° |
| C29 | C31 | H62 | 120.1° | 117.5° |
| C29 | C31 | H63 | 120.1° | 117.4° |
| C29 | C28 | N14 | 113.0° | 109.4° |
| C29 | C28 | H57 | 108.6° | 109.4° |
| C29 | C28 | H58 | 108.6° | 109.5° |
| C28 | C29 | H59 | 115.1° | 115.6° |
| C8 | C18 | O20 | 118.3° | 120.0° |
| C18 | C8 | C13 | 122.9° | 119.9° |
| C18 | C8 | C9 | 117.3° | 119.9° |
| C13 | C8 | C9 | 119.7° | 120.2° |
| C8 | C13 | C12 | 118.9° | 119.8° |
| C8 | C13 | H42 | 120.6° | 120.1° |
| C8 | C9 | C10 | 121.3° | 120.3° |
| C8 | C9 | H40 | 119.3° | 119.9° |
| C13 | C12 | N14 | 129.5° | 132.3° |
| C13 | C12 | C11 | 121.4° | 119.4° |
| C12 | C13 | H42 | 120.6° | 120.2° |
| C28 | N14 | C12 | 125.2° | 124.8° |
| C28 | N14 | C1 | 125.7° | 124.8° |
| N14 | C28 | H57 | 108.6° | 109.5° |
| N14 | C28 | H58 | 108.6° | 109.5° |
| C9 | C10 | C11 | 119.8° | 120.0° |
| C10 | C9 | H40 | 119.4° | 119.8° |
| C9 | C10 | H41 | 120.1° | 120.0° |
| N14 | C12 | C11 | 109.0° | 108.3° |
| C12 | N14 | C1 | 109.1° | 110.4° |
| C12 | C11 | C10 | 118.9° | 120.3° |
| C12 | C11 | C2 | 107.3° | 106.3° |
| N14 | C1 | C2 | 107.9° | 108.5° |
| N14 | C1 | C6 | 134.1° | 132.2° |
| C10 | C11 | C2 | 133.7° | 133.3° |
| C11 | C10 | H41 | 120.1° | 120.0° |
| N17 | C7 | C6 | 117.8° | 120.0° |
| N17 | C7 | O16 | 122.4° | 119.9° |
| C7 | N17 | H43 | 120.0° | 119.9° |
| C7 | N17 | H44 | 120.0° | 120.0° |
| C11 | C2 | C1 | 106.6° | 106.4° |
| C11 | C2 | C3 | 132.4° | 133.3° |
| C2 | C1 | C6 | 118.0° | 119.3° |
| C1 | C2 | C3 | 121.0° | 120.3° |
| C1 | C6 | C7 | 125.4° | 120.1° |
| C1 | C6 | C5 | 119.8° | 119.9° |
| C2 | C3 | C4 | 120.0° | 120.0° |
| C2 | C3 | H38 | 120.0° | 119.9° |
| C6 | C7 | O16 | 119.5° | 120.0° |
| C7 | C6 | C5 | 114.5° | 120.1° |
| C6 | C5 | C4 | 121.6° | 120.3° |
| C6 | C5 | H39 | 119.2° | 119.8° |
| C3 | C4 | C5 | 119.6° | 120.2° |
| C3 | C4 | C15 | 120.8° | 119.9° |
| C4 | C3 | H38 | 120.0° | 120.0° |
| C36 | C35 | C15 | 128.9° | 126.8° |
| C36 | C35 | N34 | 120.0° | 126.9° |
| C35 | C36 | H65 | 109.5° | 109.5° |
| C35 | C36 | H64 | 109.5° | 109.5° |
| C35 | C36 | H66 | 109.5° | 109.5° |
| C5 | C4 | C15 | 119.3° | 119.9° |
| C4 | C5 | H39 | 119.2° | 119.9° |
| C4 | C15 | C35 | 127.5° | 128.2° |
| C4 | C15 | C32 | 127.4° | 128.2° |
| C15 | C35 | N34 | 111.1° | 106.3° |
| C35 | C15 | C32 | 104.7° | 103.7° |
| C35 | N34 | O33 | 106.1° | 111.9° |
| C15 | C32 | O33 | 109.5° | 106.3° |
| C15 | C32 | C37 | 133.9° | 126.8° |
| N34 | O33 | C32 | 108.7° | 111.8° |
| O33 | C32 | C37 | 116.7° | 126.9° |
| C32 | C37 | H69 | 109.5° | 109.5° |
| C32 | C37 | H68 | 109.5° | 109.5° |
| C32 | C37 | H67 | 109.5° | 109.5° |
| H45 | C21 | H46 | 109.5° | 109.7° |
| H55 | C27 | H54 | 109.5° | 109.5° |
| H55 | C27 | H56 | 109.4° | 109.5° |
| H54 | C27 | H56 | 109.5° | 109.5° |
| H43 | N17 | H44 | 120.0° | 120.1° |
| H50 | C25 | H49 | 109.5° | 109.7° |
| H53 | C26 | H51 | 109.4° | 109.5° |
| H53 | C26 | H52 | 109.5° | 109.5° |
| H51 | C26 | H52 | 109.5° | 109.5° |
| H57 | C28 | H58 | 109.5° | 109.4° |
| H60 | C30 | H61 | 109.5° | 115.6° |
| H62 | C31 | H63 | 109.4° | 115.6° |
| H65 | C36 | H64 | 109.5° | 109.5° |
| H65 | C36 | H66 | 109.5° | 109.5° |
| H64 | C36 | H66 | 109.5° | 109.5° |
| H69 | C37 | H68 | 109.5° | 109.4° |
| H69 | C37 | H67 | 109.4° | 109.4° |
| H68 | C37 | H67 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C22 | O23 | C21 | 119.2° | 120.0° |
| C27 | C22 | O23 | H47 | 120.0° | 120.1° |
| C27 | C22 | O23 | C24 | 179.4° | 177.5° |
| C27 | C22 | C21 | H47 | 120.9° | 120.1° |
| C27 | C22 | C21 | N19 | 171.5° | 172.3° |
| C27 | C22 | C21 | H45 | 68.2° | 68.0° |
| C27 | C22 | C21 | H46 | 51.2° | 52.5° |
| C22 | C27 | H55 | H54 | 120.0° | 120.0° |
| C22 | C27 | H55 | H56 | 120.0° | 120.0° |
| C22 | C27 | H54 | H56 | 120.0° | 120.0° |
| C22 | O23 | C24 | C26 | 178.0° | 177.5° |
| O23 | C22 | C21 | H47 | 121.8° | 119.9° |
| C22 | O23 | C24 | C25 | 62.4° | 62.5° |
| O23 | C22 | C21 | N19 | 54.2° | 52.3° |
| O23 | C22 | C21 | H45 | 174.5° | 172.0° |
| O23 | C22 | C21 | H46 | 66.0° | 67.5° |
| C22 | O23 | C24 | H48 | 57.6° | 57.4° |
| O23 | C22 | C27 | H55 | 180.0° | 179.8° |
| O23 | C22 | C27 | H54 | 60.0° | 60.2° |
| O23 | C22 | C27 | H56 | 60.0° | 59.8° |
| O23 | C24 | C26 | C25 | 117.8° | 119.8° |
| O23 | C24 | C26 | H48 | 121.0° | 120.1° |
| C24 | O23 | C22 | C21 | 60.1° | 62.6° |
| O23 | C24 | C25 | H48 | 121.2° | 119.9° |
| O23 | C24 | C25 | N19 | 59.1° | 52.3° |
| C24 | O23 | C22 | H47 | 60.7° | 57.3° |
| O23 | C24 | C25 | H50 | 60.9° | 67.4° |
| O23 | C24 | C25 | H49 | 179.2° | 172.1° |
| O23 | C24 | C26 | H53 | 180.0° | 59.7° |
| O23 | C24 | C26 | H51 | 60.0° | 60.2° |
| O23 | C24 | C26 | H52 | 60.0° | 179.8° |
| C26 | C24 | C25 | H48 | 121.6° | 120.1° |
| C26 | C24 | C25 | N19 | 176.3° | 172.3° |
| C26 | C24 | C25 | H50 | 56.2° | 52.6° |
| C26 | C24 | C25 | H49 | 63.6° | 67.9° |
| C24 | C26 | H53 | H51 | 120.0° | 120.0° |
| C24 | C26 | H53 | H52 | 120.0° | 120.0° |
| C24 | C26 | H51 | H52 | 120.0° | 120.0° |
| C22 | C21 | N19 | H45 | 120.3° | 119.7° |
| C22 | C21 | N19 | H46 | 120.3° | 119.8° |
| C22 | C21 | N19 | C25 | 53.5° | 50.6° |
| C22 | C21 | N19 | C18 | 128.4° | 129.4° |
| C22 | C21 | H45 | H46 | 119.1° | 120.5° |
| C21 | C22 | C27 | H55 | 61.1° | 60.0° |
| C21 | C22 | C27 | H54 | 178.8° | 180.0° |
| C21 | C22 | C27 | H56 | 58.9° | 60.0° |
| C24 | C25 | N19 | C21 | 55.7° | 50.5° |
| C24 | C25 | N19 | H50 | 120.1° | 119.7° |
| C24 | C25 | N19 | H49 | 120.1° | 119.8° |
| C24 | C25 | N19 | C18 | 126.0° | 129.5° |
| C24 | C25 | H50 | H49 | 119.8° | 120.5° |
| C25 | C24 | C26 | H53 | 62.2° | 60.1° |
| C25 | C24 | C26 | H51 | 57.8° | 180.0° |
| C25 | C24 | C26 | H52 | 177.8° | 60.0° |
| C21 | N19 | C25 | C18 | 178.3° | 180.0° |
| C21 | N19 | C18 | C8 | 5.1° | 5.6° |
| C21 | N19 | C18 | O20 | 178.6° | 174.4° |
| N19 | C21 | H45 | H46 | 119.2° | 120.6° |
| N19 | C21 | C22 | H47 | 67.6° | 67.6° |
| C21 | N19 | C25 | H50 | 64.4° | 69.2° |
| C21 | N19 | C25 | H49 | 175.8° | 170.3° |
| C25 | N19 | C18 | C8 | 176.9° | 174.4° |
| C25 | N19 | C18 | O20 | 0.6° | 5.5° |
| C25 | N19 | C21 | H45 | 173.7° | 170.2° |
| C25 | N19 | C21 | H46 | 66.8° | 69.2° |
| N19 | C25 | C24 | H48 | 62.1° | 67.7° |
| N19 | C25 | H50 | H49 | 119.8° | 120.6° |
| C31 | C30 | C29 | H60 | 109.7° | 107.5° |
| C31 | C30 | C29 | H61 | 109.6° | 107.5° |
| C30 | C31 | C29 | H62 | 109.4° | 107.4° |
| C30 | C31 | C29 | H63 | 109.4° | 107.5° |
| C31 | C30 | C29 | C28 | 110.5° | 107.5° |
| C31 | C30 | C29 | H59 | 105.6° | 107.5° |
| C31 | C30 | H60 | H61 | 144.4° | 145.6° |
| C30 | C31 | H62 | H63 | 145.0° | 145.7° |
| C30 | C29 | C28 | H59 | 144.0° | 145.7° |
| C30 | C29 | C28 | N14 | 103.9° | 175.1° |
| C30 | C29 | C28 | H57 | 135.5° | 55.1° |
| C30 | C29 | C28 | H58 | 16.6° | 64.9° |
| C29 | C30 | H60 | H61 | 144.4° | 145.7° |
| N19 | C18 | C8 | O20 | 176.4° | 180.0° |
| N19 | C18 | C8 | C13 | 56.2° | 140.5° |
| N19 | C18 | C8 | C9 | 127.8° | 39.6° |
| C18 | N19 | C21 | H45 | 8.1° | 9.7° |
| C18 | N19 | C21 | H46 | 111.3° | 110.8° |
| C18 | N19 | C25 | H50 | 113.9° | 110.9° |
| C18 | N19 | C25 | H49 | 5.9° | 9.7° |
| C31 | C29 | C28 | H59 | 145.8° | 145.6° |
| C31 | C29 | C28 | N14 | 174.1° | 116.3° |
| C31 | C29 | C28 | H57 | 65.3° | 123.7° |
| C31 | C29 | C28 | H58 | 53.6° | 3.8° |
| C29 | C31 | H62 | H63 | 145.0° | 145.7° |
| C29 | C28 | N14 | H57 | 120.5° | 120.0° |
| C29 | C28 | N14 | H58 | 120.5° | 120.0° |
| C29 | C28 | N14 | C12 | 108.5° | 86.4° |
| C29 | C28 | N14 | C1 | 70.0° | 94.0° |
| C29 | C28 | H57 | H58 | 118.4° | 120.0° |
| C28 | C29 | C30 | H60 | 0.9° | 145.1° |
| C28 | C29 | C30 | H61 | 139.8° | 0.0° |
| C28 | C29 | C31 | H62 | 142.6° | 0.1° |
| C28 | C29 | C31 | H63 | 1.3° | 145.0° |
| C18 | C8 | C13 | C9 | 175.9° | 180.0° |
| C18 | C8 | C13 | C12 | 177.7° | 180.0° |
| C18 | C8 | C9 | C10 | 177.2° | 180.0° |
| C18 | C8 | C13 | H42 | 2.3° | 0.0° |
| C18 | C8 | C9 | H40 | 2.9° | 0.1° |
| O20 | C18 | C8 | C13 | 127.3° | 39.6° |
| O20 | C18 | C8 | C9 | 48.7° | 140.4° |
| C8 | C13 | C12 | H42 | 180.0° | 180.0° |
| C13 | C8 | C9 | C10 | 1.0° | 0.1° |
| C8 | C13 | C12 | N14 | 176.3° | 180.0° |
| C8 | C13 | C12 | C11 | 1.7° | 0.0° |
| C13 | C8 | C9 | H40 | 179.0° | 180.0° |
| C9 | C8 | C13 | C12 | 1.8° | 0.0° |
| C8 | C9 | C10 | H40 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.1° | 0.1° |
| C9 | C8 | C13 | H42 | 178.2° | 180.0° |
| C8 | C9 | C10 | H41 | 179.9° | 180.0° |
| C13 | C12 | N14 | C28 | 0.2° | 0.3° |
| C13 | C12 | N14 | C11 | 178.2° | 180.0° |
| C13 | C12 | N14 | C1 | 178.9° | 180.0° |
| C13 | C12 | C11 | C10 | 0.8° | 0.0° |
| C13 | C12 | C11 | C2 | 179.1° | 180.0° |
| C28 | N14 | C12 | C1 | 178.7° | 179.7° |
| C28 | N14 | C12 | C11 | 178.0° | 179.7° |
| C28 | N14 | C1 | C2 | 178.3° | 179.7° |
| C28 | N14 | C1 | C6 | 3.2° | 0.3° |
| N14 | C28 | H57 | H58 | 118.4° | 120.1° |
| N14 | C28 | C29 | H59 | 40.1° | 29.4° |
| C9 | C10 | C11 | C12 | 0.0° | 0.0° |
| C9 | C10 | C11 | H41 | 180.0° | 179.9° |
| C9 | C10 | C11 | C2 | 177.7° | 179.9° |
| N14 | C12 | C11 | C10 | 177.6° | 180.0° |
| N14 | C12 | C11 | C2 | 0.7° | 0.0° |
| C12 | N14 | C1 | C2 | 0.4° | 0.0° |
| C12 | N14 | C1 | C6 | 178.2° | 180.0° |
| N14 | C12 | C13 | H42 | 3.7° | 0.0° |
| C12 | N14 | C28 | H57 | 131.0° | 153.7° |
| C12 | N14 | C28 | H58 | 12.0° | 33.7° |
| C11 | C12 | N14 | C1 | 0.7° | 0.0° |
| C12 | C11 | C10 | C2 | 177.7° | 179.9° |
| C12 | C11 | C2 | C1 | 0.4° | 0.0° |
| C12 | C11 | C2 | C3 | 178.4° | 180.0° |
| C11 | C12 | C13 | H42 | 178.3° | 180.0° |
| C12 | C11 | C10 | H41 | 180.0° | 180.0° |
| N14 | C1 | C2 | C11 | 0.0° | 0.0° |
| N14 | C1 | C2 | C6 | 178.9° | 180.0° |
| N14 | C1 | C2 | C3 | 179.0° | 180.0° |
| N14 | C1 | C6 | C7 | 6.7° | 0.1° |
| N14 | C1 | C6 | C5 | 179.8° | 180.0° |
| C1 | N14 | C28 | H57 | 50.6° | 25.9° |
| C1 | N14 | C28 | H58 | 169.5° | 146.0° |
| C10 | C11 | C2 | C1 | 177.5° | 180.0° |
| C10 | C11 | C2 | C3 | 3.7° | 0.1° |
| C11 | C10 | C9 | H40 | 179.9° | 180.0° |
| N17 | C7 | C6 | C1 | 118.4° | 126.8° |
| N17 | C7 | C6 | O16 | 173.5° | 180.0° |
| N17 | C7 | C6 | C5 | 68.2° | 53.2° |
| C7 | N17 | H43 | H44 | 180.0° | 179.9° |
| C11 | C2 | C1 | C3 | 179.0° | 179.9° |
| C11 | C2 | C1 | C6 | 178.8° | 180.0° |
| C11 | C2 | C3 | C4 | 178.5° | 179.9° |
| C11 | C2 | C3 | H38 | 1.5° | 0.0° |
| C2 | C11 | C10 | H41 | 2.3° | 0.0° |
| C2 | C1 | C6 | C7 | 171.8° | 179.9° |
| C2 | C1 | C6 | C5 | 1.3° | 0.1° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C1 | C2 | C3 | H38 | 179.8° | 179.9° |
| C6 | C1 | C2 | C3 | 0.1° | 0.0° |
| C1 | C6 | C7 | C5 | 173.4° | 180.0° |
| C1 | C6 | C7 | O16 | 68.0° | 53.2° |
| C1 | C6 | C5 | C4 | 2.5° | 0.0° |
| C1 | C6 | C5 | H39 | 177.5° | 179.9° |
| C2 | C3 | C4 | H38 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 1.3° | 0.0° |
| C2 | C3 | C4 | C15 | 173.3° | 180.0° |
| C7 | C6 | C5 | C4 | 171.3° | 179.9° |
| C7 | C6 | C5 | H39 | 8.7° | 0.1° |
| C6 | C7 | N17 | H43 | 173.3° | 0.0° |
| C6 | C7 | N17 | H44 | 6.7° | 179.9° |
| O16 | C7 | C6 | C5 | 105.3° | 126.9° |
| O16 | C7 | N17 | H43 | 0.0° | 180.0° |
| O16 | C7 | N17 | H44 | 180.0° | 0.1° |
| C6 | C5 | C4 | C3 | 2.5° | 0.0° |
| C6 | C5 | C4 | H39 | 180.0° | 180.0° |
| C6 | C5 | C4 | C15 | 172.1° | 180.0° |
| C3 | C4 | C5 | C15 | 174.6° | 180.0° |
| C3 | C4 | C15 | C35 | 129.6° | 65.3° |
| C3 | C4 | C15 | C32 | 59.1° | 115.0° |
| C3 | C4 | C5 | H39 | 177.5° | 180.0° |
| C36 | C35 | C15 | C4 | 6.5° | 0.3° |
| C36 | C35 | C15 | N34 | 178.7° | 179.6° |
| C36 | C35 | C15 | C32 | 179.4° | 180.0° |
| C36 | C35 | N34 | O33 | 178.9° | 179.9° |
| C35 | C36 | H65 | H64 | 120.0° | 120.0° |
| C35 | C36 | H65 | H66 | 120.0° | 120.0° |
| C35 | C36 | H64 | H66 | 120.0° | 120.0° |
| C5 | C4 | C15 | C35 | 55.9° | 114.7° |
| C5 | C4 | C15 | C32 | 115.4° | 65.0° |
| C5 | C4 | C3 | H38 | 178.7° | 180.0° |
| C4 | C15 | C35 | C32 | 172.9° | 179.7° |
| C4 | C15 | C35 | N34 | 172.2° | 179.9° |
| C4 | C15 | C32 | O33 | 171.9° | 179.9° |
| C4 | C15 | C32 | C37 | 9.3° | 0.0° |
| C15 | C4 | C3 | H38 | 6.8° | 0.1° |
| C15 | C4 | C5 | H39 | 7.9° | 0.0° |
| C15 | C35 | N34 | O33 | 0.1° | 0.4° |
| C35 | C15 | C32 | O33 | 1.0° | 0.2° |
| C35 | C15 | C32 | C37 | 177.9° | 179.8° |
| C15 | C35 | C36 | H65 | 178.6° | 90.0° |
| C15 | C35 | C36 | H64 | 61.4° | 150.0° |
| C15 | C35 | C36 | H66 | 58.6° | 30.0° |
| N34 | C35 | C15 | C32 | 0.7° | 0.4° |
| C35 | N34 | O33 | C32 | 0.5° | 0.3° |
| N34 | C35 | C36 | H65 | 0.0° | 89.6° |
| N34 | C35 | C36 | H64 | 120.0° | 30.4° |
| N34 | C35 | C36 | H66 | 120.0° | 150.4° |
| C15 | C32 | O33 | N34 | 1.0° | 0.1° |
| C15 | C32 | O33 | C37 | 179.1° | 180.0° |
| C15 | C32 | C37 | H69 | 178.8° | 90.0° |
| C15 | C32 | C37 | H68 | 61.2° | 150.0° |
| C15 | C32 | C37 | H67 | 58.8° | 30.0° |
| N34 | O33 | C32 | C37 | 178.1° | 180.0° |
| O33 | C32 | C37 | H69 | 0.0° | 89.9° |
| O33 | C32 | C37 | H68 | 120.0° | 30.0° |
| O33 | C32 | C37 | H67 | 120.0° | 150.0° |
| C32 | C37 | H69 | H68 | 120.0° | 120.0° |
| C32 | C37 | H69 | H67 | 120.0° | 120.0° |
| C32 | C37 | H68 | H67 | 120.0° | 120.0° |
| H45 | C21 | C22 | H47 | 52.7° | 52.1° |
| H46 | C21 | C22 | H47 | 172.2° | 172.6° |
| H47 | C22 | C27 | H55 | 59.4° | 60.1° |
| H47 | C22 | C27 | H54 | 60.6° | 59.9° |
| H47 | C22 | C27 | H56 | 179.4° | 179.9° |
| H48 | C24 | C25 | H50 | 177.8° | 172.7° |
| H48 | C24 | C25 | H49 | 58.0° | 52.1° |
| H48 | C24 | C26 | H53 | 59.0° | 179.9° |
| H48 | C24 | C26 | H51 | 179.0° | 59.9° |
| H48 | C24 | C26 | H52 | 61.0° | 60.1° |
| H55 | C27 | H54 | H56 | 120.0° | 120.0° |
| H40 | C9 | C10 | H41 | 0.1° | 0.1° |
| H53 | C26 | H51 | H52 | 120.0° | 120.0° |
| H57 | C28 | C29 | H59 | 80.5° | 90.6° |
| H58 | C28 | C29 | H59 | 160.6° | 149.4° |
| H59 | C29 | C30 | H60 | 144.7° | 0.0° |
| H59 | C29 | C30 | H61 | 4.0° | 145.1° |
| H59 | C29 | C31 | H62 | 3.2° | 145.0° |
| H59 | C29 | C31 | H63 | 144.5° | 0.0° |
| H60 | C30 | C31 | H62 | 141.0° | 145.0° |
| H60 | C30 | C31 | H63 | 0.3° | 0.1° |
| H61 | C30 | C31 | H62 | 0.3° | 0.0° |
| H61 | C30 | C31 | H63 | 141.0° | 145.1° |
| H65 | C36 | H64 | H66 | 120.0° | 120.0° |
| H69 | C37 | H68 | H67 | 120.0° | 120.0° |
