YB1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.35Å | 1.34Å | |
| N1 | C21 | sing | 1.49Å | 1.53Å | |
| N1 | C24 | sing | 1.50Å | 1.47Å | |
| C2 | O3 | doub | 1.22Å | 1.23Å | |
| C2 | C4 | sing | 1.48Å | 1.51Å | |
| C4 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C4 | C9 | sing | 1.40Å | 1.44Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | N7 | doub | 1.32Å | 1.34Å | Aromatic |
| C6 | O13 | sing | 1.36Å | 1.34Å | |
| N7 | C8 | sing | 1.32Å | 1.37Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C10 | sing | 1.51Å | 1.49Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| O13 | C14 | sing | 1.43Å | 1.43Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | C20 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.58Å | |
| C17 | O18 | sing | 1.43Å | 1.43Å | |
| O18 | C19 | sing | 1.43Å | 1.44Å | |
| C19 | C20 | sing | 1.53Å | 1.57Å | |
| C21 | C22 | sing | 1.50Å | 1.53Å | |
| C22 | C23 | sing | 1.58Å | 1.55Å | |
| C22 | C27 | sing | 1.51Å | 1.56Å | |
| C23 | C24 | sing | 1.51Å | 1.53Å | |
| C23 | C25 | sing | 1.50Å | 1.53Å | |
| C25 | N26 | sing | 1.49Å | 1.49Å | |
| N26 | C27 | sing | 1.50Å | 1.50Å | |
| N26 | C28 | sing | 1.35Å | 1.40Å | |
| C28 | O29 | doub | 1.21Å | 1.25Å | |
| C28 | C30 | sing | 1.51Å | 1.54Å | |
| C30 | C31 | sing | 1.53Å | 1.55Å | |
| C31 | C32 | sing | 1.51Å | 1.53Å | |
| C32 | C33 | doub | 1.35Å | 1.40Å | Aromatic |
| C32 | N36 | sing | 1.35Å | 1.42Å | Aromatic |
| C33 | N34 | sing | 1.34Å | 1.44Å | Aromatic |
| N34 | N35 | doub | 1.29Å | 1.26Å | Aromatic |
| N35 | N36 | sing | 1.29Å | 1.40Å | Aromatic |
| C10 | H41 | sing | 1.09Å | 1.10Å | |
| C11 | H43 | sing | 1.09Å | 1.10Å | |
| C11 | H42 | sing | 1.09Å | 1.10Å | |
| C15 | H48 | sing | 1.09Å | 1.10Å | |
| C16 | H50 | sing | 1.09Å | 1.10Å | |
| C16 | H49 | sing | 1.09Å | 1.10Å | |
| C17 | H51 | sing | 1.09Å | 1.10Å | |
| C17 | H52 | sing | 1.09Å | 1.10Å | |
| C19 | H54 | sing | 1.09Å | 1.10Å | |
| C19 | H53 | sing | 1.09Å | 1.10Å | |
| C20 | H56 | sing | 1.09Å | 1.10Å | |
| C20 | H55 | sing | 1.09Å | 1.10Å | |
| C21 | H58 | sing | 1.09Å | 1.10Å | |
| C21 | H57 | sing | 1.09Å | 1.10Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C24 | H59 | sing | 1.09Å | 1.10Å | |
| C24 | H60 | sing | 1.09Å | 1.10Å | |
| C25 | H61 | sing | 1.09Å | 1.10Å | |
| C25 | H62 | sing | 1.09Å | 1.10Å | |
| C27 | H64 | sing | 1.09Å | 1.10Å | |
| C27 | H63 | sing | 1.09Å | 1.10Å | |
| C5 | H39 | sing | 1.08Å | 1.08Å | |
| C9 | H40 | sing | 1.08Å | 1.08Å | |
| C12 | H45 | sing | 1.09Å | 1.10Å | |
| C12 | H44 | sing | 1.09Å | 1.10Å | |
| C14 | H47 | sing | 1.09Å | 1.10Å | |
| C14 | H46 | sing | 1.09Å | 1.10Å | |
| C30 | H66 | sing | 1.09Å | 1.10Å | |
| C30 | H65 | sing | 1.09Å | 1.10Å | |
| C31 | H67 | sing | 1.09Å | 1.10Å | |
| C31 | H68 | sing | 1.09Å | 1.10Å | |
| C33 | H69 | sing | 1.08Å | 1.08Å | |
| N36 | H70 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C21 | 123.1° | 126.1° |
| C2 | N1 | C24 | 123.8° | 126.1° |
| N1 | C2 | O3 | 120.4° | 120.0° |
| N1 | C2 | C4 | 119.4° | 120.0° |
| C21 | N1 | C24 | 113.0° | 107.7° |
| N1 | C21 | C22 | 100.6° | 104.8° |
| N1 | C21 | H58 | 111.6° | 110.4° |
| N1 | C21 | H57 | 111.6° | 110.5° |
| N1 | C24 | C23 | 101.3° | 102.2° |
| N1 | C24 | H59 | 111.5° | 110.9° |
| N1 | C24 | H60 | 111.5° | 111.0° |
| O3 | C2 | C4 | 120.2° | 120.0° |
| C2 | C4 | C5 | 122.9° | 120.9° |
| C2 | C4 | C9 | 115.9° | 120.9° |
| C5 | C4 | C9 | 120.9° | 118.2° |
| C4 | C5 | C6 | 115.5° | 118.9° |
| C4 | C5 | H39 | 122.3° | 120.5° |
| C4 | C9 | C8 | 117.4° | 119.1° |
| C4 | C9 | H40 | 121.3° | 120.5° |
| C5 | C6 | N7 | 126.1° | 120.8° |
| C5 | C6 | O13 | 115.9° | 119.6° |
| C6 | C5 | H39 | 122.2° | 120.5° |
| N7 | C6 | O13 | 118.0° | 119.6° |
| C6 | N7 | C8 | 117.7° | 121.9° |
| C6 | O13 | C14 | 118.5° | 117.0° |
| N7 | C8 | C9 | 122.4° | 121.0° |
| N7 | C8 | C10 | 114.6° | 119.5° |
| C9 | C8 | C10 | 122.9° | 119.5° |
| C8 | C9 | H40 | 121.3° | 120.4° |
| C8 | C10 | C11 | 119.0° | 117.5° |
| C8 | C10 | C12 | 117.8° | 117.5° |
| C8 | C10 | H41 | 116.6° | 115.6° |
| C11 | C10 | C12 | 59.6° | 60.0° |
| C10 | C11 | C12 | 60.6° | 60.0° |
| C11 | C10 | H41 | 115.9° | 117.5° |
| C10 | C11 | H43 | 119.9° | 117.5° |
| C10 | C11 | H42 | 119.9° | 117.5° |
| C10 | C12 | C11 | 59.9° | 60.0° |
| C12 | C10 | H41 | 115.7° | 117.5° |
| C10 | C12 | H45 | 120.0° | 117.5° |
| C10 | C12 | H44 | 120.0° | 117.4° |
| C12 | C11 | H43 | 119.9° | 117.5° |
| C12 | C11 | H42 | 119.9° | 117.6° |
| C11 | C12 | H45 | 120.0° | 117.5° |
| C11 | C12 | H44 | 120.0° | 117.5° |
| O13 | C14 | C15 | 106.4° | 109.5° |
| O13 | C14 | H47 | 110.2° | 109.5° |
| O13 | C14 | H46 | 110.3° | 109.5° |
| C14 | C15 | C16 | 109.1° | 109.6° |
| C14 | C15 | C20 | 105.7° | 109.5° |
| C14 | C15 | H48 | 111.4° | 109.7° |
| C15 | C14 | H47 | 110.3° | 109.4° |
| C15 | C14 | H46 | 110.2° | 109.5° |
| C16 | C15 | C20 | 106.9° | 109.0° |
| C15 | C16 | C17 | 109.7° | 109.2° |
| C16 | C15 | H48 | 111.8° | 109.5° |
| C15 | C16 | H50 | 109.4° | 109.5° |
| C15 | C16 | H49 | 109.4° | 109.5° |
| C15 | C20 | C19 | 106.4° | 109.2° |
| C20 | C15 | H48 | 111.6° | 109.5° |
| C15 | C20 | H56 | 110.2° | 109.5° |
| C15 | C20 | H55 | 110.2° | 109.5° |
| C16 | C17 | O18 | 111.3° | 109.4° |
| C17 | C16 | H50 | 109.4° | 109.5° |
| C17 | C16 | H49 | 109.4° | 109.5° |
| C16 | C17 | H51 | 109.0° | 109.5° |
| C16 | C17 | H52 | 109.0° | 109.5° |
| C17 | O18 | C19 | 112.7° | 114.1° |
| O18 | C17 | H51 | 109.0° | 109.5° |
| O18 | C17 | H52 | 109.0° | 109.5° |
| O18 | C19 | C20 | 108.4° | 109.4° |
| O18 | C19 | H54 | 109.7° | 109.4° |
| O18 | C19 | H53 | 109.7° | 109.5° |
| C20 | C19 | H54 | 109.7° | 109.5° |
| C20 | C19 | H53 | 109.7° | 109.5° |
| C19 | C20 | H56 | 110.2° | 109.6° |
| C19 | C20 | H55 | 110.2° | 109.5° |
| C21 | C22 | C23 | 104.0° | 99.7° |
| C21 | C22 | C27 | 127.3° | 126.6° |
| C22 | C21 | H58 | 111.6° | 110.3° |
| C22 | C21 | H57 | 111.7° | 110.4° |
| C21 | C22 | H38 | 108.6° | 110.1° |
| C23 | C22 | C27 | 98.4° | 98.4° |
| C22 | C23 | C24 | 102.6° | 98.5° |
| C22 | C23 | C25 | 99.6° | 99.8° |
| C23 | C22 | H38 | 108.4° | 110.0° |
| C22 | C23 | H37 | 109.5° | 110.0° |
| C22 | C27 | N26 | 97.2° | 102.2° |
| C27 | C22 | H38 | 108.3° | 109.8° |
| C22 | C27 | H64 | 112.5° | 110.9° |
| C22 | C27 | H63 | 112.5° | 110.9° |
| C24 | C23 | C25 | 124.1° | 126.6° |
| C24 | C23 | H37 | 109.8° | 110.0° |
| C23 | C24 | H59 | 111.5° | 110.9° |
| C23 | C24 | H60 | 111.5° | 110.8° |
| C23 | C25 | N26 | 99.9° | 104.8° |
| C25 | C23 | H37 | 109.8° | 109.8° |
| C23 | C25 | H61 | 111.8° | 110.4° |
| C23 | C25 | H62 | 111.8° | 110.4° |
| C25 | N26 | C27 | 112.8° | 107.8° |
| C25 | N26 | C28 | 121.3° | 126.2° |
| N26 | C25 | H61 | 111.8° | 110.4° |
| N26 | C25 | H62 | 111.8° | 110.4° |
| C27 | N26 | C28 | 125.8° | 126.1° |
| N26 | C27 | H64 | 112.4° | 110.9° |
| N26 | C27 | H63 | 112.4° | 111.0° |
| N26 | C28 | O29 | 118.2° | 119.9° |
| N26 | C28 | C30 | 118.0° | 120.0° |
| O29 | C28 | C30 | 123.8° | 120.1° |
| C28 | C30 | C31 | 109.7° | 109.4° |
| C28 | C30 | H66 | 109.4° | 109.5° |
| C28 | C30 | H65 | 109.4° | 109.4° |
| C30 | C31 | C32 | 112.5° | 109.5° |
| C31 | C30 | H66 | 109.4° | 109.5° |
| C31 | C30 | H65 | 109.4° | 109.5° |
| C30 | C31 | H67 | 108.7° | 109.5° |
| C30 | C31 | H68 | 108.7° | 109.5° |
| C31 | C32 | C33 | 131.4° | 126.9° |
| C31 | C32 | N36 | 125.7° | 126.9° |
| C32 | C31 | H67 | 108.7° | 109.4° |
| C32 | C31 | H68 | 108.7° | 109.4° |
| C33 | C32 | N36 | 102.8° | 106.2° |
| C32 | C33 | N34 | 108.0° | 106.5° |
| C32 | C33 | H69 | 126.0° | 126.7° |
| C32 | N36 | N35 | 110.1° | 108.2° |
| C32 | N36 | H70 | 124.9° | 125.9° |
| C33 | N34 | N35 | 110.1° | 108.9° |
| N34 | C33 | H69 | 126.0° | 126.8° |
| N34 | N35 | N36 | 109.0° | 110.2° |
| N35 | N36 | H70 | 124.9° | 125.9° |
| H43 | C11 | H42 | 109.5° | 115.5° |
| H50 | C16 | H49 | 109.5° | 109.6° |
| H51 | C17 | H52 | 109.5° | 109.5° |
| H54 | C19 | H53 | 109.5° | 109.5° |
| H56 | C20 | H55 | 109.5° | 109.6° |
| H58 | C21 | H57 | 109.5° | 110.4° |
| H59 | C24 | H60 | 109.5° | 110.7° |
| H61 | C25 | H62 | 109.5° | 110.4° |
| H64 | C27 | H63 | 109.5° | 110.8° |
| H45 | C12 | H44 | 109.5° | 115.6° |
| H47 | C14 | H46 | 109.5° | 109.4° |
| H66 | C30 | H65 | 109.5° | 109.5° |
| H67 | C31 | H68 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C21 | C24 | 178.7° | 180.0° |
| N1 | C2 | O3 | C4 | 178.4° | 180.0° |
| N1 | C2 | C4 | C5 | 124.4° | 24.6° |
| N1 | C2 | C4 | C9 | 62.0° | 155.7° |
| C2 | N1 | C21 | C22 | 172.7° | 172.5° |
| C2 | N1 | C24 | C23 | 161.1° | 154.7° |
| C2 | N1 | C21 | H58 | 68.7° | 53.7° |
| C2 | N1 | C21 | H57 | 54.1° | 68.6° |
| C2 | N1 | C24 | H59 | 80.3° | 36.5° |
| C2 | N1 | C24 | H60 | 42.4° | 87.0° |
| C21 | N1 | C2 | O3 | 0.7° | 3.6° |
| C21 | N1 | C2 | C4 | 179.1° | 176.4° |
| N1 | C21 | C22 | H58 | 118.6° | 118.8° |
| N1 | C21 | C22 | H57 | 118.6° | 119.0° |
| N1 | C21 | C22 | C23 | 29.6° | 35.4° |
| N1 | C21 | C22 | C27 | 142.0° | 143.6° |
| C21 | N1 | C24 | C23 | 20.3° | 25.3° |
| N1 | C21 | H58 | H57 | 124.1° | 122.4° |
| N1 | C21 | C22 | H38 | 85.7° | 80.3° |
| C21 | N1 | C24 | H59 | 98.4° | 143.5° |
| C21 | N1 | C24 | H60 | 139.0° | 93.0° |
| C24 | N1 | C2 | O3 | 179.2° | 176.4° |
| C24 | N1 | C2 | C4 | 2.4° | 3.6° |
| C24 | N1 | C21 | C22 | 5.9° | 7.5° |
| N1 | C24 | C23 | C22 | 37.9° | 45.8° |
| N1 | C24 | C23 | H59 | 118.7° | 118.2° |
| N1 | C24 | C23 | H60 | 118.7° | 118.4° |
| N1 | C24 | C23 | C25 | 148.9° | 154.7° |
| C24 | N1 | C21 | H58 | 112.6° | 126.3° |
| C24 | N1 | C21 | H57 | 124.5° | 111.4° |
| N1 | C24 | C23 | H37 | 78.5° | 69.2° |
| N1 | C24 | H59 | H60 | 123.8° | 123.7° |
| O3 | C2 | C4 | C5 | 57.2° | 155.4° |
| O3 | C2 | C4 | C9 | 116.4° | 24.3° |
| C2 | C4 | C5 | C9 | 173.3° | 179.7° |
| C2 | C4 | C5 | C6 | 172.0° | 180.0° |
| C2 | C4 | C9 | C8 | 172.3° | 179.7° |
| C2 | C4 | C5 | H39 | 7.9° | 0.0° |
| C2 | C4 | C9 | H40 | 7.7° | 0.0° |
| C4 | C5 | C6 | H39 | 180.0° | 180.0° |
| C4 | C5 | C6 | N7 | 0.6° | 0.0° |
| C4 | C5 | C6 | O13 | 177.1° | 180.0° |
| C5 | C4 | C9 | C8 | 1.5° | 0.5° |
| C5 | C4 | C9 | H40 | 178.5° | 179.7° |
| C9 | C4 | C5 | C6 | 1.3° | 0.3° |
| C4 | C9 | C8 | N7 | 0.1° | 0.5° |
| C4 | C9 | C8 | H40 | 180.0° | 179.8° |
| C4 | C9 | C8 | C10 | 179.6° | 179.7° |
| C9 | C4 | C5 | H39 | 178.8° | 179.8° |
| C5 | C6 | N7 | O13 | 177.7° | 179.9° |
| C5 | C6 | N7 | C8 | 2.2° | 0.1° |
| C5 | C6 | O13 | C14 | 178.4° | 180.0° |
| C6 | N7 | C8 | C9 | 1.9° | 0.2° |
| C6 | N7 | C8 | C10 | 177.8° | 180.0° |
| N7 | C6 | O13 | C14 | 3.6° | 0.1° |
| N7 | C6 | C5 | H39 | 179.3° | 179.9° |
| O13 | C6 | N7 | C8 | 175.5° | 180.0° |
| C6 | O13 | C14 | C15 | 178.4° | 180.0° |
| O13 | C6 | C5 | H39 | 2.9° | 0.0° |
| C6 | O13 | C14 | H47 | 58.8° | 60.0° |
| C6 | O13 | C14 | H46 | 62.1° | 60.0° |
| N7 | C8 | C9 | C10 | 179.7° | 179.8° |
| N7 | C8 | C10 | C11 | 27.6° | 95.1° |
| N7 | C8 | C10 | C12 | 41.1° | 163.6° |
| N7 | C8 | C10 | H41 | 174.5° | 50.7° |
| N7 | C8 | C9 | H40 | 179.9° | 179.7° |
| C9 | C8 | C10 | C11 | 152.1° | 84.7° |
| C9 | C8 | C10 | C12 | 139.1° | 16.2° |
| C9 | C8 | C10 | H41 | 5.3° | 129.6° |
| C8 | C10 | C11 | C12 | 107.0° | 107.5° |
| C8 | C10 | C11 | H41 | 147.1° | 145.1° |
| C8 | C10 | C12 | H41 | 144.7° | 145.1° |
| C8 | C10 | C11 | H43 | 143.3° | 145.0° |
| C8 | C10 | C11 | H42 | 2.6° | 0.1° |
| C10 | C8 | C9 | H40 | 0.4° | 0.1° |
| C8 | C10 | C12 | H45 | 0.4° | 0.1° |
| C8 | C10 | C12 | H44 | 141.5° | 145.0° |
| C11 | C10 | C12 | H41 | 106.2° | 107.5° |
| C10 | C11 | C12 | H43 | 109.6° | 107.5° |
| C10 | C11 | C12 | H42 | 109.6° | 107.5° |
| C10 | C11 | H43 | H42 | 144.4° | 145.6° |
| C11 | C10 | C12 | H45 | 109.4° | 107.5° |
| C11 | C10 | C12 | H44 | 109.4° | 107.5° |
| C10 | C12 | H45 | H44 | 144.8° | 145.6° |
| C12 | C11 | H43 | H42 | 144.5° | 145.8° |
| C11 | C12 | H45 | H44 | 144.8° | 145.8° |
| O13 | C14 | C15 | H47 | 119.5° | 120.0° |
| O13 | C14 | C15 | H46 | 119.5° | 120.1° |
| O13 | C14 | C15 | C16 | 68.8° | 175.0° |
| O13 | C14 | C15 | C20 | 176.6° | 65.5° |
| O13 | C14 | C15 | H48 | 55.1° | 54.7° |
| O13 | C14 | H47 | H46 | 121.4° | 120.0° |
| C14 | C15 | C16 | C20 | 113.8° | 119.9° |
| C14 | C15 | C16 | H48 | 123.7° | 120.3° |
| C14 | C15 | C20 | H48 | 121.3° | 120.3° |
| C14 | C15 | C16 | C17 | 172.0° | 176.8° |
| C14 | C15 | C20 | C19 | 180.0° | 176.8° |
| C14 | C15 | C16 | H50 | 51.9° | 56.9° |
| C14 | C15 | C16 | H49 | 68.0° | 63.2° |
| C14 | C15 | C20 | H56 | 60.5° | 63.2° |
| C14 | C15 | C20 | H55 | 60.5° | 57.0° |
| C15 | C14 | H47 | H46 | 121.4° | 120.0° |
| C16 | C15 | C20 | H48 | 122.5° | 119.8° |
| C15 | C16 | C17 | H50 | 120.1° | 119.9° |
| C15 | C16 | C17 | H49 | 120.0° | 119.9° |
| C15 | C16 | C17 | O18 | 54.0° | 57.6° |
| C16 | C15 | C20 | C19 | 63.8° | 56.9° |
| C15 | C16 | H50 | H49 | 119.9° | 120.1° |
| C15 | C16 | C17 | H51 | 174.3° | 177.6° |
| C15 | C16 | C17 | H52 | 66.3° | 62.4° |
| C16 | C15 | C20 | H56 | 176.7° | 176.9° |
| C16 | C15 | C20 | H55 | 55.7° | 63.0° |
| C16 | C15 | C14 | H47 | 171.7° | 55.0° |
| C16 | C15 | C14 | H46 | 50.7° | 65.0° |
| C20 | C15 | C16 | C17 | 58.1° | 56.9° |
| C15 | C20 | C19 | O18 | 65.8° | 57.6° |
| C15 | C20 | C19 | H56 | 119.5° | 119.9° |
| C15 | C20 | C19 | H55 | 119.5° | 119.9° |
| C20 | C15 | C16 | H50 | 61.9° | 63.0° |
| C20 | C15 | C16 | H49 | 178.2° | 176.9° |
| C15 | C20 | C19 | H54 | 174.3° | 62.4° |
| C15 | C20 | C19 | H53 | 54.0° | 177.6° |
| C15 | C20 | H56 | H55 | 121.4° | 120.1° |
| C20 | C15 | C14 | H47 | 57.1° | 174.5° |
| C20 | C15 | C14 | H46 | 63.9° | 54.6° |
| C16 | C17 | O18 | H51 | 120.3° | 120.0° |
| C16 | C17 | O18 | H52 | 120.3° | 120.0° |
| C16 | C17 | O18 | C19 | 56.6° | 61.1° |
| C17 | C16 | C15 | H48 | 64.3° | 62.8° |
| C17 | C16 | H50 | H49 | 119.8° | 120.2° |
| C16 | C17 | H51 | H52 | 119.1° | 120.0° |
| C17 | O18 | C19 | C20 | 62.8° | 61.1° |
| O18 | C17 | C16 | H50 | 66.1° | 62.3° |
| O18 | C17 | C16 | H49 | 174.0° | 177.5° |
| O18 | C17 | H51 | H52 | 119.2° | 120.0° |
| C17 | O18 | C19 | H54 | 177.3° | 58.8° |
| C17 | O18 | C19 | H53 | 57.0° | 178.8° |
| O18 | C19 | C20 | H54 | 119.9° | 119.9° |
| O18 | C19 | C20 | H53 | 119.8° | 120.1° |
| C19 | O18 | C17 | H51 | 176.9° | 178.9° |
| C19 | O18 | C17 | H52 | 63.6° | 58.9° |
| O18 | C19 | H54 | H53 | 120.5° | 120.0° |
| O18 | C19 | C20 | H56 | 174.6° | 177.5° |
| O18 | C19 | C20 | H55 | 53.7° | 62.3° |
| C19 | C20 | C15 | H48 | 58.7° | 62.9° |
| C20 | C19 | H54 | H53 | 120.5° | 120.0° |
| C19 | C20 | H56 | H55 | 121.4° | 120.2° |
| C21 | C22 | C23 | C27 | 132.0° | 129.5° |
| C21 | C22 | C23 | H38 | 115.4° | 115.7° |
| C21 | C22 | C27 | H38 | 132.5° | 136.2° |
| C21 | C22 | C23 | C24 | 43.4° | 50.4° |
| C21 | C22 | C23 | C25 | 171.7° | 180.0° |
| C21 | C22 | C27 | N26 | 161.6° | 154.7° |
| C22 | C21 | H58 | H57 | 124.1° | 122.3° |
| C21 | C22 | C23 | H37 | 73.2° | 64.6° |
| C21 | C22 | C27 | H64 | 43.6° | 36.5° |
| C21 | C22 | C27 | H63 | 80.5° | 87.0° |
| C23 | C22 | C27 | H38 | 112.6° | 114.9° |
| C22 | C23 | C24 | C25 | 111.0° | 108.9° |
| C22 | C23 | C24 | H37 | 116.4° | 115.0° |
| C22 | C23 | C25 | H37 | 114.9° | 115.6° |
| C22 | C23 | C25 | N26 | 40.9° | 35.4° |
| C23 | C22 | C27 | N26 | 46.7° | 45.8° |
| C23 | C22 | C21 | H58 | 89.0° | 154.2° |
| C23 | C22 | C21 | H57 | 148.2° | 83.6° |
| C22 | C23 | C24 | H59 | 80.8° | 164.0° |
| C22 | C23 | C24 | H60 | 156.6° | 72.6° |
| C22 | C23 | C25 | H61 | 77.5° | 83.5° |
| C22 | C23 | C25 | H62 | 159.3° | 154.2° |
| C23 | C22 | C27 | H64 | 71.3° | 72.3° |
| C23 | C22 | C27 | H63 | 164.6° | 164.2° |
| C27 | C22 | C23 | C24 | 175.4° | 179.9° |
| C27 | C22 | C23 | C25 | 56.3° | 50.4° |
| C22 | C27 | N26 | C25 | 22.6° | 25.4° |
| C22 | C27 | N26 | H64 | 118.0° | 118.2° |
| C22 | C27 | N26 | H63 | 118.0° | 118.2° |
| C22 | C27 | N26 | C28 | 154.6° | 154.6° |
| C27 | C22 | C21 | H58 | 23.4° | 97.6° |
| C27 | C22 | C21 | H57 | 99.5° | 24.7° |
| C27 | C22 | C23 | H37 | 58.8° | 64.9° |
| C22 | C27 | H64 | H63 | 125.8° | 123.5° |
| C24 | C23 | C25 | H37 | 132.6° | 136.2° |
| C24 | C23 | C25 | N26 | 153.4° | 143.7° |
| C24 | C23 | C22 | H38 | 72.1° | 65.3° |
| C23 | C24 | H59 | H60 | 123.8° | 123.5° |
| C24 | C23 | C25 | H61 | 34.9° | 24.8° |
| C24 | C23 | C25 | H62 | 88.2° | 97.5° |
| C23 | C25 | N26 | H61 | 118.4° | 118.8° |
| C23 | C25 | N26 | H62 | 118.4° | 118.8° |
| C23 | C25 | N26 | C27 | 11.4° | 7.5° |
| C23 | C25 | N26 | C28 | 171.2° | 172.6° |
| C25 | C23 | C22 | H38 | 56.3° | 64.3° |
| C25 | C23 | C24 | H59 | 30.2° | 87.0° |
| C25 | C23 | C24 | H60 | 92.4° | 36.4° |
| C23 | C25 | H61 | H62 | 124.5° | 122.3° |
| C25 | N26 | C27 | C28 | 177.2° | 180.0° |
| C25 | N26 | C28 | O29 | 176.9° | 0.0° |
| C25 | N26 | C28 | C30 | 2.7° | 180.0° |
| N26 | C25 | C23 | H37 | 74.0° | 80.2° |
| N26 | C25 | H61 | H62 | 124.5° | 122.3° |
| C25 | N26 | C27 | H64 | 95.4° | 92.9° |
| C25 | N26 | C27 | H63 | 140.5° | 143.6° |
| C27 | N26 | C28 | O29 | 6.1° | 180.0° |
| C27 | N26 | C28 | C30 | 174.3° | 0.0° |
| N26 | C27 | C22 | H38 | 66.0° | 69.1° |
| C27 | N26 | C25 | H61 | 107.0° | 111.4° |
| C27 | N26 | C25 | H62 | 129.8° | 126.3° |
| N26 | C27 | H64 | H63 | 125.7° | 123.7° |
| N26 | C28 | O29 | C30 | 179.6° | 180.0° |
| N26 | C28 | C30 | C31 | 138.5° | 180.0° |
| C28 | N26 | C25 | H61 | 70.4° | 68.6° |
| C28 | N26 | C25 | H62 | 52.9° | 53.8° |
| C28 | N26 | C27 | H64 | 87.4° | 87.1° |
| C28 | N26 | C27 | H63 | 36.7° | 36.4° |
| N26 | C28 | C30 | H66 | 18.4° | 60.0° |
| N26 | C28 | C30 | H65 | 101.5° | 60.0° |
| O29 | C28 | C30 | C31 | 41.9° | 0.0° |
| O29 | C28 | C30 | H66 | 162.0° | 120.0° |
| O29 | C28 | C30 | H65 | 78.1° | 120.0° |
| C28 | C30 | C31 | H66 | 120.0° | 120.0° |
| C28 | C30 | C31 | H65 | 120.0° | 119.9° |
| C28 | C30 | C31 | C32 | 164.8° | 180.0° |
| C28 | C30 | H66 | H65 | 119.9° | 120.0° |
| C28 | C30 | C31 | H67 | 74.8° | 60.0° |
| C28 | C30 | C31 | H68 | 44.3° | 60.0° |
| C30 | C31 | C32 | H67 | 120.4° | 120.0° |
| C30 | C31 | C32 | H68 | 120.5° | 120.0° |
| C30 | C31 | C32 | C33 | 90.3° | 85.0° |
| C30 | C31 | C32 | N36 | 94.9° | 95.3° |
| C31 | C30 | H66 | H65 | 119.9° | 120.1° |
| C30 | C31 | H67 | H68 | 118.6° | 120.1° |
| C31 | C32 | C33 | N36 | 175.7° | 179.8° |
| C31 | C32 | C33 | N34 | 174.4° | 179.9° |
| C31 | C32 | N36 | N35 | 175.0° | 179.9° |
| C32 | C31 | C30 | H66 | 44.7° | 60.0° |
| C32 | C31 | C30 | H65 | 75.2° | 60.1° |
| C32 | C31 | H67 | H68 | 118.6° | 119.9° |
| C31 | C32 | C33 | H69 | 5.6° | 0.0° |
| C31 | C32 | N36 | H70 | 5.0° | 0.1° |
| C32 | C33 | N34 | H69 | 180.0° | 179.9° |
| C32 | C33 | N34 | N35 | 1.2° | 0.1° |
| C33 | C32 | N36 | N35 | 1.0° | 0.4° |
| C33 | C32 | C31 | H67 | 149.3° | 35.0° |
| C33 | C32 | C31 | H68 | 30.2° | 155.0° |
| C33 | C32 | N36 | H70 | 179.0° | 179.8° |
| N36 | C32 | C33 | N34 | 1.3° | 0.2° |
| C32 | N36 | N35 | N34 | 0.3° | 0.4° |
| C32 | N36 | N35 | H70 | 180.0° | 179.8° |
| N36 | C32 | C31 | H67 | 25.6° | 144.7° |
| N36 | C32 | C31 | H68 | 144.6° | 24.7° |
| N36 | C32 | C33 | H69 | 178.7° | 179.7° |
| C33 | N34 | N35 | N36 | 0.5° | 0.3° |
| N35 | N34 | C33 | H69 | 178.8° | 180.0° |
| N34 | N35 | N36 | H70 | 179.7° | 179.8° |
| H41 | C10 | C11 | H43 | 3.7° | 0.0° |
| H41 | C10 | C11 | H42 | 144.4° | 145.0° |
| H41 | C10 | C12 | H45 | 144.4° | 145.0° |
| H41 | C10 | C12 | H44 | 3.2° | 0.0° |
| H43 | C11 | C12 | H45 | 141.0° | 145.1° |
| H43 | C11 | C12 | H44 | 0.2° | 0.0° |
| H42 | C11 | C12 | H45 | 0.2° | 0.0° |
| H42 | C11 | C12 | H44 | 141.0° | 145.1° |
| H48 | C15 | C16 | H50 | 175.6° | 177.3° |
| H48 | C15 | C16 | H49 | 55.7° | 57.1° |
| H48 | C15 | C20 | H56 | 60.8° | 57.1° |
| H48 | C15 | C20 | H55 | 178.2° | 177.3° |
| H48 | C15 | C14 | H47 | 64.4° | 65.2° |
| H48 | C15 | C14 | H46 | 174.7° | 174.8° |
| H50 | C16 | C17 | H51 | 54.2° | 57.7° |
| H50 | C16 | C17 | H52 | 173.7° | 177.7° |
| H49 | C16 | C17 | H51 | 65.7° | 62.5° |
| H49 | C16 | C17 | H52 | 53.8° | 57.5° |
| H54 | C19 | C20 | H56 | 54.8° | 57.5° |
| H54 | C19 | C20 | H55 | 66.2° | 177.7° |
| H53 | C19 | C20 | H56 | 65.6° | 62.5° |
| H53 | C19 | C20 | H55 | 173.5° | 57.8° |
| H58 | C21 | C22 | H38 | 155.8° | 38.5° |
| H57 | C21 | C22 | H38 | 32.9° | 160.8° |
| H38 | C22 | C23 | H37 | 171.4° | 179.7° |
| H38 | C22 | C27 | H64 | 176.1° | 172.7° |
| H38 | C22 | C27 | H63 | 52.0° | 49.2° |
| H37 | C23 | C24 | H59 | 162.8° | 49.0° |
| H37 | C23 | C24 | H60 | 40.2° | 172.4° |
| H37 | C23 | C25 | H61 | 167.6° | 161.0° |
| H37 | C23 | C25 | H62 | 44.4° | 38.6° |
| H66 | C30 | C31 | H67 | 165.2° | 180.0° |
| H66 | C30 | C31 | H68 | 75.8° | 59.9° |
| H65 | C30 | C31 | H67 | 45.2° | 59.9° |
| H65 | C30 | C31 | H68 | 164.3° | 180.0° |
