Y0K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.50Å | 1.49Å | |
| N1 | C3 | sing | 1.49Å | 1.49Å | |
| N1 | C29 | sing | 1.35Å | 1.38Å | |
| C2 | C5 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | sing | 1.49Å | 1.52Å | |
| C4 | C5 | sing | 1.58Å | 1.55Å | |
| C4 | C8 | sing | 1.49Å | 1.52Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C6 | N7 | sing | 1.50Å | 1.52Å | |
| N7 | C8 | sing | 1.49Å | 1.47Å | |
| N7 | C11 | sing | 1.35Å | 1.38Å | |
| C11 | C12 | sing | 1.48Å | 1.48Å | |
| C11 | O13 | doub | 1.22Å | 1.23Å | |
| C12 | C14 | doub | 1.40Å | 1.43Å | Aromatic |
| C12 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.44Å | Aromatic |
| C15 | C20 | sing | 1.51Å | 1.48Å | |
| C16 | N17 | sing | 1.32Å | 1.35Å | Aromatic |
| C16 | O19 | sing | 1.35Å | 1.35Å | |
| N17 | C18 | doub | 1.32Å | 1.35Å | Aromatic |
| O19 | C23 | sing | 1.43Å | 1.42Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | C22 | sing | 1.53Å | 1.55Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C23 | C28 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | sing | 1.53Å | 1.55Å | |
| C25 | O26 | sing | 1.43Å | 1.45Å | |
| O26 | C27 | sing | 1.43Å | 1.41Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C29 | C30 | sing | 1.48Å | 1.52Å | |
| C29 | O31 | doub | 1.21Å | 1.26Å | |
| C30 | N32 | doub | 1.33Å | 1.36Å | Aromatic |
| C30 | C36 | sing | 1.39Å | 1.41Å | Aromatic |
| N32 | C33 | sing | 1.32Å | 1.35Å | Aromatic |
| C33 | C34 | doub | 1.39Å | 1.44Å | Aromatic |
| C34 | C35 | sing | 1.39Å | 1.40Å | Aromatic |
| C34 | S37 | sing | 1.76Å | 1.66Å | |
| C35 | C36 | doub | 1.39Å | 1.40Å | Aromatic |
| S37 | O38 | doub | 1.42Å | 1.41Å | |
| S37 | O39 | doub | 1.42Å | 1.46Å | |
| S37 | N40 | sing | 1.66Å | 1.64Å | |
| C18 | H50 | sing | 1.08Å | 1.08Å | |
| C20 | H51 | sing | 1.09Å | 1.10Å | |
| C21 | H52 | sing | 1.09Å | 1.10Å | |
| C21 | H53 | sing | 1.09Å | 1.10Å | |
| C22 | H55 | sing | 1.09Å | 1.10Å | |
| C22 | H54 | sing | 1.09Å | 1.10Å | |
| C23 | H56 | sing | 1.09Å | 1.10Å | |
| C24 | H57 | sing | 1.09Å | 1.10Å | |
| C24 | H58 | sing | 1.09Å | 1.10Å | |
| C25 | H59 | sing | 1.09Å | 1.10Å | |
| C25 | H60 | sing | 1.09Å | 1.10Å | |
| C27 | H61 | sing | 1.09Å | 1.10Å | |
| C27 | H62 | sing | 1.09Å | 1.10Å | |
| C28 | H64 | sing | 1.09Å | 1.10Å | |
| C28 | H63 | sing | 1.09Å | 1.10Å | |
| C2 | H41 | sing | 1.09Å | 1.10Å | |
| C2 | H42 | sing | 1.09Å | 1.10Å | |
| C3 | H44 | sing | 1.09Å | 1.10Å | |
| C3 | H43 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H45 | sing | 1.09Å | 1.10Å | |
| C6 | H46 | sing | 1.09Å | 1.10Å | |
| C8 | H48 | sing | 1.09Å | 1.10Å | |
| C8 | H47 | sing | 1.09Å | 1.10Å | |
| C14 | H49 | sing | 1.08Å | 1.08Å | |
| C33 | H65 | sing | 1.08Å | 1.08Å | |
| C35 | H66 | sing | 1.08Å | 1.08Å | |
| C36 | H67 | sing | 1.08Å | 1.08Å | |
| N40 | H69 | sing | 0.97Å | 1.00Å | |
| N40 | H68 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C3 | 112.9° | 107.7° |
| C2 | N1 | C29 | 120.8° | 126.1° |
| N1 | C2 | C5 | 98.8° | 102.4° |
| N1 | C2 | H41 | 112.1° | 110.8° |
| N1 | C2 | H42 | 112.1° | 110.9° |
| C3 | N1 | C29 | 124.7° | 126.1° |
| N1 | C3 | C4 | 101.9° | 104.6° |
| N1 | C3 | H44 | 111.3° | 110.3° |
| N1 | C3 | H43 | 111.3° | 110.4° |
| N1 | C29 | C30 | 119.9° | 120.0° |
| N1 | C29 | O31 | 120.2° | 120.0° |
| C2 | C5 | C4 | 101.6° | 97.8° |
| C2 | C5 | C6 | 127.6° | 124.1° |
| C5 | C2 | H41 | 112.0° | 110.8° |
| C5 | C2 | H42 | 112.0° | 110.8° |
| C2 | C5 | H9 | 108.8° | 111.2° |
| C3 | C4 | C5 | 102.7° | 100.6° |
| C3 | C4 | C8 | 122.6° | 129.2° |
| C4 | C3 | H44 | 111.3° | 110.4° |
| C4 | C3 | H43 | 111.4° | 110.5° |
| C3 | C4 | H10 | 110.3° | 108.6° |
| C5 | C4 | C8 | 99.8° | 100.7° |
| C4 | C5 | C6 | 99.4° | 97.8° |
| C5 | C4 | H10 | 109.9° | 107.6° |
| C4 | C5 | H9 | 108.5° | 111.8° |
| C4 | C8 | N7 | 98.6° | 104.6° |
| C8 | C4 | H10 | 110.3° | 107.9° |
| C4 | C8 | H48 | 112.1° | 110.4° |
| C4 | C8 | H47 | 112.1° | 110.4° |
| C5 | C6 | N7 | 99.2° | 102.4° |
| C6 | C5 | H9 | 108.9° | 111.7° |
| C5 | C6 | H45 | 112.0° | 110.8° |
| C5 | C6 | H46 | 112.0° | 110.9° |
| C6 | N7 | C8 | 112.4° | 107.7° |
| C6 | N7 | C11 | 121.2° | 126.2° |
| N7 | C6 | H45 | 112.0° | 110.8° |
| N7 | C6 | H46 | 112.0° | 110.8° |
| C8 | N7 | C11 | 125.7° | 126.1° |
| N7 | C8 | H48 | 112.1° | 110.4° |
| N7 | C8 | H47 | 112.1° | 110.4° |
| N7 | C11 | C12 | 121.6° | 120.1° |
| N7 | C11 | O13 | 117.7° | 120.0° |
| C12 | C11 | O13 | 120.7° | 120.0° |
| C11 | C12 | C14 | 127.0° | 120.4° |
| C11 | C12 | C18 | 114.1° | 120.6° |
| C14 | C12 | C18 | 118.9° | 119.0° |
| C12 | C14 | C15 | 119.7° | 118.3° |
| C12 | C14 | H49 | 120.2° | 120.8° |
| C12 | C18 | N17 | 122.6° | 120.6° |
| C12 | C18 | H50 | 118.7° | 119.6° |
| C14 | C15 | C16 | 116.1° | 119.3° |
| C14 | C15 | C20 | 122.4° | 120.4° |
| C15 | C14 | H49 | 120.2° | 120.8° |
| C16 | C15 | C20 | 121.5° | 120.4° |
| C15 | C16 | N17 | 123.8° | 121.0° |
| C15 | C16 | O19 | 116.3° | 119.5° |
| C15 | C20 | C21 | 120.3° | 117.5° |
| C15 | C20 | C22 | 119.4° | 117.5° |
| C15 | C20 | H51 | 115.9° | 115.6° |
| N17 | C16 | O19 | 119.2° | 119.5° |
| C16 | N17 | C18 | 119.0° | 121.8° |
| C16 | O19 | C23 | 134.2° | 117.0° |
| N17 | C18 | H50 | 118.7° | 119.7° |
| O19 | C23 | C24 | 111.1° | 109.5° |
| O19 | C23 | C28 | 107.6° | 109.5° |
| O19 | C23 | H56 | 111.3° | 109.6° |
| C21 | C20 | C22 | 59.7° | 60.0° |
| C20 | C21 | C22 | 60.8° | 60.0° |
| C21 | C20 | H51 | 115.1° | 117.5° |
| C20 | C21 | H52 | 119.9° | 117.5° |
| C20 | C21 | H53 | 119.9° | 117.5° |
| C20 | C22 | C21 | 59.4° | 60.0° |
| C22 | C20 | H51 | 114.8° | 117.6° |
| C20 | C22 | H55 | 120.1° | 117.5° |
| C20 | C22 | H54 | 120.1° | 117.5° |
| C22 | C21 | H52 | 119.9° | 117.5° |
| C22 | C21 | H53 | 119.8° | 117.5° |
| C21 | C22 | H55 | 120.1° | 117.5° |
| C21 | C22 | H54 | 120.1° | 117.5° |
| C24 | C23 | C28 | 107.3° | 109.1° |
| C23 | C24 | C25 | 104.2° | 109.1° |
| C24 | C23 | H56 | 110.0° | 109.5° |
| C23 | C24 | H57 | 110.7° | 109.5° |
| C23 | C24 | H58 | 110.8° | 109.5° |
| C23 | C28 | C27 | 109.4° | 109.1° |
| C28 | C23 | H56 | 109.5° | 109.6° |
| C23 | C28 | H64 | 109.5° | 109.5° |
| C23 | C28 | H63 | 109.5° | 109.5° |
| C24 | C25 | O26 | 113.3° | 109.4° |
| C25 | C24 | H57 | 110.8° | 109.5° |
| C25 | C24 | H58 | 110.7° | 109.6° |
| C24 | C25 | H59 | 108.5° | 109.5° |
| C24 | C25 | H60 | 108.5° | 109.5° |
| C25 | O26 | C27 | 117.0° | 114.1° |
| O26 | C25 | H59 | 108.5° | 109.5° |
| O26 | C25 | H60 | 108.5° | 109.4° |
| O26 | C27 | C28 | 110.8° | 109.5° |
| O26 | C27 | H61 | 109.1° | 109.5° |
| O26 | C27 | H62 | 109.1° | 109.5° |
| C28 | C27 | H61 | 109.2° | 109.5° |
| C28 | C27 | H62 | 109.1° | 109.4° |
| C27 | C28 | H64 | 109.5° | 109.5° |
| C27 | C28 | H63 | 109.5° | 109.5° |
| C30 | C29 | O31 | 119.8° | 120.0° |
| C29 | C30 | N32 | 119.4° | 119.7° |
| C29 | C30 | C36 | 117.9° | 119.7° |
| N32 | C30 | C36 | 122.7° | 120.6° |
| C30 | N32 | C33 | 116.9° | 121.7° |
| C30 | C36 | C35 | 119.7° | 119.1° |
| C30 | C36 | H67 | 120.1° | 120.5° |
| N32 | C33 | C34 | 124.6° | 120.9° |
| N32 | C33 | H65 | 117.7° | 119.6° |
| C33 | C34 | C35 | 116.9° | 119.4° |
| C33 | C34 | S37 | 121.8° | 120.3° |
| C34 | C33 | H65 | 117.7° | 119.5° |
| C35 | C34 | S37 | 121.3° | 120.3° |
| C34 | C35 | C36 | 119.1° | 118.5° |
| C34 | C35 | H66 | 120.4° | 120.7° |
| C34 | S37 | O38 | 105.7° | 106.4° |
| C34 | S37 | O39 | 111.0° | 106.4° |
| C34 | S37 | N40 | 98.9° | 107.2° |
| C36 | C35 | H66 | 120.4° | 120.8° |
| C35 | C36 | H67 | 120.1° | 120.5° |
| O38 | S37 | O39 | 122.0° | 123.2° |
| O38 | S37 | N40 | 108.9° | 106.4° |
| O39 | S37 | N40 | 107.9° | 106.4° |
| S37 | N40 | H69 | 109.5° | 120.1° |
| S37 | N40 | H68 | 109.5° | 120.0° |
| H52 | C21 | H53 | 109.5° | 115.6° |
| H55 | C22 | H54 | 109.5° | 115.6° |
| H57 | C24 | H58 | 109.5° | 109.6° |
| H59 | C25 | H60 | 109.5° | 109.5° |
| H61 | C27 | H62 | 109.4° | 109.4° |
| H64 | C28 | H63 | 109.4° | 109.6° |
| H41 | C2 | H42 | 109.5° | 110.9° |
| H44 | C3 | H43 | 109.5° | 110.5° |
| H45 | C6 | H46 | 109.5° | 110.8° |
| H48 | C8 | H47 | 109.5° | 110.5° |
| H69 | N40 | H68 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C3 | C29 | 165.5° | 179.7° |
| N1 | C2 | C5 | H41 | 118.2° | 118.2° |
| N1 | C2 | C5 | H42 | 118.2° | 118.3° |
| C2 | N1 | C3 | C4 | 1.1° | 6.8° |
| N1 | C2 | C5 | C4 | 43.0° | 45.7° |
| N1 | C2 | C5 | C6 | 154.7° | 150.6° |
| C2 | N1 | C29 | C30 | 160.5° | 180.0° |
| C2 | N1 | C29 | O31 | 20.3° | 0.0° |
| N1 | C2 | H41 | H42 | 125.0° | 123.6° |
| C2 | N1 | C3 | H44 | 119.9° | 125.5° |
| C2 | N1 | C3 | H43 | 117.7° | 112.1° |
| N1 | C2 | C5 | H9 | 71.4° | 71.4° |
| C3 | N1 | C2 | C5 | 26.8° | 25.8° |
| N1 | C3 | C4 | H44 | 118.8° | 118.7° |
| N1 | C3 | C4 | H43 | 118.7° | 118.8° |
| N1 | C3 | C4 | C5 | 28.4° | 35.1° |
| N1 | C3 | C4 | C8 | 138.9° | 148.4° |
| C3 | N1 | C29 | C30 | 35.1° | 0.3° |
| C3 | N1 | C29 | O31 | 144.2° | 179.7° |
| C3 | N1 | C2 | H41 | 145.0° | 144.0° |
| C3 | N1 | C2 | H42 | 91.5° | 92.4° |
| N1 | C3 | H44 | H43 | 123.5° | 122.4° |
| N1 | C3 | C4 | H10 | 88.7° | 77.7° |
| C29 | N1 | C2 | C5 | 167.1° | 154.4° |
| C29 | N1 | C3 | C4 | 164.4° | 172.9° |
| N1 | C29 | C30 | O31 | 179.2° | 180.0° |
| N1 | C29 | C30 | N32 | 54.6° | 0.0° |
| N1 | C29 | C30 | C36 | 123.0° | 179.7° |
| C29 | N1 | C2 | H41 | 48.9° | 36.3° |
| C29 | N1 | C2 | H42 | 74.7° | 87.3° |
| C29 | N1 | C3 | H44 | 45.7° | 54.2° |
| C29 | N1 | C3 | H43 | 76.8° | 68.2° |
| C2 | C5 | C4 | C3 | 46.0° | 50.1° |
| C2 | C5 | C4 | C6 | 131.8° | 126.2° |
| C2 | C5 | C4 | H9 | 114.6° | 116.6° |
| C2 | C5 | C4 | C8 | 172.7° | 176.3° |
| C2 | C5 | C6 | H9 | 133.9° | 137.8° |
| C2 | C5 | C6 | N7 | 152.9° | 150.6° |
| C5 | C2 | H41 | H42 | 124.9° | 123.5° |
| C2 | C5 | C4 | H10 | 71.4° | 63.4° |
| C2 | C5 | C6 | H45 | 88.8° | 91.2° |
| C2 | C5 | C6 | H46 | 34.6° | 32.4° |
| C3 | C4 | C5 | C8 | 126.8° | 133.6° |
| C3 | C4 | C5 | H10 | 117.4° | 113.5° |
| C3 | C4 | C8 | H10 | 132.4° | 134.1° |
| C3 | C4 | C5 | C6 | 177.7° | 176.3° |
| C3 | C4 | C8 | N7 | 157.6° | 148.4° |
| C4 | C3 | H44 | H43 | 123.6° | 122.5° |
| C3 | C4 | C5 | H9 | 68.6° | 66.5° |
| C3 | C4 | C8 | H48 | 84.2° | 92.9° |
| C3 | C4 | C8 | H47 | 39.4° | 29.6° |
| C5 | C4 | C8 | H10 | 115.6° | 112.6° |
| C4 | C5 | C6 | H9 | 113.4° | 117.3° |
| C4 | C5 | C6 | N7 | 40.2° | 45.7° |
| C5 | C4 | C8 | N7 | 45.6° | 35.0° |
| C4 | C5 | C2 | H41 | 161.2° | 163.9° |
| C4 | C5 | C2 | H42 | 75.3° | 72.6° |
| C5 | C4 | C3 | H44 | 147.2° | 153.8° |
| C5 | C4 | C3 | H43 | 90.3° | 83.7° |
| C4 | C5 | C6 | H45 | 158.5° | 163.9° |
| C4 | C5 | C6 | H46 | 78.1° | 72.5° |
| C5 | C4 | C8 | H48 | 163.8° | 153.8° |
| C5 | C4 | C8 | H47 | 72.6° | 83.7° |
| C8 | C4 | C5 | C6 | 55.5° | 50.1° |
| C4 | C8 | N7 | C6 | 21.1° | 6.8° |
| C4 | C8 | N7 | H48 | 118.2° | 118.8° |
| C4 | C8 | N7 | H47 | 118.2° | 118.8° |
| C4 | C8 | N7 | C11 | 149.0° | 173.2° |
| C8 | C4 | C3 | H44 | 102.3° | 92.9° |
| C8 | C4 | C3 | H43 | 20.2° | 29.6° |
| C8 | C4 | C5 | H9 | 58.1° | 67.1° |
| C4 | C8 | H48 | H47 | 125.1° | 122.5° |
| C5 | C6 | N7 | H45 | 118.3° | 118.3° |
| C5 | C6 | N7 | H46 | 118.3° | 118.2° |
| C5 | C6 | N7 | C8 | 12.6° | 25.9° |
| C5 | C6 | N7 | C11 | 176.9° | 154.2° |
| C6 | C5 | C2 | H41 | 87.1° | 91.2° |
| C6 | C5 | C2 | H42 | 36.4° | 32.3° |
| C6 | C5 | C4 | H10 | 60.4° | 62.7° |
| C5 | C6 | H45 | H46 | 124.8° | 123.5° |
| C6 | N7 | C8 | C11 | 170.0° | 180.0° |
| C6 | N7 | C11 | C12 | 171.4° | 174.5° |
| C6 | N7 | C11 | O13 | 10.1° | 5.2° |
| N7 | C6 | C5 | H9 | 73.2° | 71.6° |
| N7 | C6 | H45 | H46 | 124.8° | 123.5° |
| C6 | N7 | C8 | H48 | 139.3° | 125.6° |
| C6 | N7 | C8 | H47 | 97.1° | 112.0° |
| C8 | N7 | C11 | C12 | 2.2° | 5.5° |
| C8 | N7 | C11 | O13 | 179.3° | 174.7° |
| N7 | C8 | C4 | H10 | 70.0° | 77.5° |
| C8 | N7 | C6 | H45 | 130.9° | 144.1° |
| C8 | N7 | C6 | H46 | 105.8° | 92.4° |
| N7 | C8 | H48 | H47 | 125.1° | 122.4° |
| N7 | C11 | C12 | O13 | 178.4° | 179.7° |
| N7 | C11 | C12 | C14 | 66.7° | 31.9° |
| N7 | C11 | C12 | C18 | 112.6° | 148.6° |
| C11 | N7 | C6 | H45 | 58.6° | 35.9° |
| C11 | N7 | C6 | H46 | 64.8° | 87.6° |
| C11 | N7 | C8 | H48 | 30.8° | 54.4° |
| C11 | N7 | C8 | H47 | 92.9° | 68.0° |
| C11 | C12 | C14 | C18 | 179.3° | 179.5° |
| C11 | C12 | C14 | C15 | 178.7° | 180.0° |
| C11 | C12 | C18 | N17 | 177.8° | 179.7° |
| C11 | C12 | C18 | H50 | 2.3° | 0.5° |
| C11 | C12 | C14 | H49 | 1.3° | 0.1° |
| O13 | C11 | C12 | C14 | 114.9° | 147.9° |
| O13 | C11 | C12 | C18 | 65.8° | 31.6° |
| C12 | C14 | C15 | H49 | 180.0° | 180.0° |
| C12 | C14 | C15 | C16 | 1.6° | 0.0° |
| C12 | C14 | C15 | C20 | 176.2° | 179.7° |
| C14 | C12 | C18 | N17 | 1.6° | 0.8° |
| C14 | C12 | C18 | H50 | 178.4° | 180.0° |
| C18 | C12 | C14 | C15 | 0.5° | 0.5° |
| C12 | C18 | N17 | C16 | 0.3° | 0.5° |
| C12 | C18 | N17 | H50 | 180.0° | 179.2° |
| C18 | C12 | C14 | H49 | 179.5° | 179.4° |
| C14 | C15 | C16 | C20 | 177.8° | 179.7° |
| C14 | C15 | C16 | N17 | 3.1° | 0.3° |
| C14 | C15 | C16 | O19 | 167.6° | 179.7° |
| C14 | C15 | C20 | C21 | 24.2° | 60.3° |
| C14 | C15 | C20 | C22 | 45.9° | 8.3° |
| C14 | C15 | C20 | H51 | 170.3° | 154.1° |
| C15 | C16 | N17 | O19 | 170.4° | 180.0° |
| C15 | C16 | N17 | C18 | 2.2° | 0.0° |
| C15 | C16 | O19 | C23 | 136.2° | 180.0° |
| C16 | C15 | C20 | C21 | 158.1° | 120.0° |
| C16 | C15 | C20 | C22 | 131.8° | 171.4° |
| C16 | C15 | C20 | H51 | 12.0° | 25.6° |
| C16 | C15 | C14 | H49 | 178.4° | 180.0° |
| C20 | C15 | C16 | N17 | 174.7° | 180.0° |
| C20 | C15 | C16 | O19 | 14.6° | 0.1° |
| C15 | C20 | C21 | C22 | 108.5° | 107.5° |
| C15 | C20 | C21 | H51 | 146.4° | 145.0° |
| C15 | C20 | C22 | H51 | 144.2° | 145.1° |
| C15 | C20 | C21 | H52 | 1.2° | 0.0° |
| C15 | C20 | C21 | H53 | 141.9° | 145.0° |
| C15 | C20 | C22 | H55 | 140.6° | 145.1° |
| C15 | C20 | C22 | H54 | 0.7° | 0.0° |
| C20 | C15 | C14 | H49 | 3.8° | 0.3° |
| N17 | C16 | O19 | C23 | 52.7° | 0.0° |
| C16 | N17 | C18 | H50 | 179.7° | 179.7° |
| O19 | C16 | N17 | C18 | 168.2° | 180.0° |
| C16 | O19 | C23 | C24 | 22.7° | 150.0° |
| C16 | O19 | C23 | C28 | 139.9° | 90.4° |
| C16 | O19 | C23 | H56 | 100.2° | 29.8° |
| O19 | C23 | C24 | C28 | 117.3° | 119.9° |
| O19 | C23 | C24 | H56 | 123.7° | 120.3° |
| O19 | C23 | C28 | H56 | 121.1° | 120.3° |
| O19 | C23 | C24 | C25 | 177.7° | 176.9° |
| O19 | C23 | C28 | C27 | 175.5° | 176.8° |
| O19 | C23 | C24 | H57 | 63.2° | 57.0° |
| O19 | C23 | C24 | H58 | 58.5° | 63.2° |
| O19 | C23 | C28 | H64 | 55.4° | 63.3° |
| O19 | C23 | C28 | H63 | 64.5° | 57.0° |
| C21 | C20 | C22 | H51 | 105.8° | 107.5° |
| C20 | C21 | C22 | H52 | 109.7° | 107.5° |
| C20 | C21 | C22 | H53 | 109.7° | 107.5° |
| C20 | C21 | H52 | H53 | 144.3° | 145.7° |
| C21 | C20 | C22 | H55 | 109.3° | 107.5° |
| C21 | C20 | C22 | H54 | 109.3° | 107.5° |
| C20 | C22 | H55 | H54 | 145.0° | 145.7° |
| C22 | C21 | H52 | H53 | 144.2° | 145.7° |
| C21 | C22 | H55 | H54 | 145.0° | 145.7° |
| C24 | C23 | C28 | H56 | 119.3° | 119.8° |
| C23 | C24 | C25 | H57 | 119.1° | 119.8° |
| C23 | C24 | C25 | H58 | 119.2° | 119.9° |
| C23 | C24 | C25 | O26 | 58.7° | 57.6° |
| C24 | C23 | C28 | C27 | 64.9° | 57.0° |
| C23 | C24 | H57 | H58 | 122.5° | 120.2° |
| C23 | C24 | C25 | H59 | 179.3° | 177.5° |
| C23 | C24 | C25 | H60 | 61.9° | 62.4° |
| C24 | C23 | C28 | H64 | 175.1° | 176.9° |
| C24 | C23 | C28 | H63 | 55.1° | 62.9° |
| C28 | C23 | C24 | C25 | 65.0° | 57.0° |
| C23 | C28 | C27 | O26 | 53.2° | 57.6° |
| C23 | C28 | C27 | H64 | 120.0° | 119.9° |
| C23 | C28 | C27 | H63 | 120.0° | 119.8° |
| C28 | C23 | C24 | H57 | 54.2° | 62.9° |
| C28 | C23 | C24 | H58 | 175.9° | 176.9° |
| C23 | C28 | C27 | H61 | 173.4° | 62.4° |
| C23 | C28 | C27 | H62 | 67.0° | 177.7° |
| C23 | C28 | H64 | H63 | 120.0° | 120.2° |
| C24 | C25 | O26 | H59 | 120.6° | 120.0° |
| C24 | C25 | O26 | H60 | 120.6° | 120.0° |
| C24 | C25 | O26 | C27 | 51.9° | 61.1° |
| C25 | C24 | C23 | H56 | 54.0° | 62.9° |
| C25 | C24 | H57 | H58 | 122.4° | 120.2° |
| C24 | C25 | H59 | H60 | 118.2° | 120.1° |
| C25 | O26 | C27 | C28 | 47.2° | 61.1° |
| O26 | C25 | C24 | H57 | 60.5° | 62.3° |
| O26 | C25 | C24 | H58 | 177.8° | 177.5° |
| O26 | C25 | H59 | H60 | 118.2° | 119.9° |
| C25 | O26 | C27 | H61 | 167.5° | 58.9° |
| C25 | O26 | C27 | H62 | 73.0° | 178.8° |
| O26 | C27 | C28 | H61 | 120.2° | 120.0° |
| O26 | C27 | C28 | H62 | 120.2° | 120.1° |
| C27 | O26 | C25 | H59 | 172.4° | 178.9° |
| C27 | O26 | C25 | H60 | 68.7° | 58.9° |
| O26 | C27 | H61 | H62 | 119.4° | 120.1° |
| O26 | C27 | C28 | H64 | 173.2° | 177.5° |
| O26 | C27 | C28 | H63 | 66.8° | 62.2° |
| C27 | C28 | C23 | H56 | 54.4° | 62.9° |
| C28 | C27 | H61 | H62 | 119.4° | 119.9° |
| C27 | C28 | H64 | H63 | 120.0° | 120.2° |
| C29 | C30 | N32 | C36 | 177.5° | 179.7° |
| C29 | C30 | N32 | C33 | 176.8° | 180.0° |
| C29 | C30 | C36 | C35 | 176.9° | 179.7° |
| C29 | C30 | C36 | H67 | 3.1° | 0.1° |
| O31 | C29 | C30 | N32 | 126.1° | 180.0° |
| O31 | C29 | C30 | C36 | 56.2° | 0.3° |
| C30 | N32 | C33 | C34 | 0.3° | 0.0° |
| N32 | C30 | C36 | C35 | 0.6° | 0.5° |
| C30 | N32 | C33 | H65 | 179.7° | 180.0° |
| N32 | C30 | C36 | H67 | 179.4° | 179.8° |
| C36 | C30 | N32 | C33 | 0.7° | 0.2° |
| C30 | C36 | C35 | C34 | 0.2° | 0.6° |
| C30 | C36 | C35 | H67 | 180.0° | 179.7° |
| C30 | C36 | C35 | H66 | 179.8° | 179.7° |
| N32 | C33 | C34 | H65 | 180.0° | 180.0° |
| N32 | C33 | C34 | C35 | 0.1° | 0.0° |
| N32 | C33 | C34 | S37 | 180.0° | 179.9° |
| C33 | C34 | C35 | S37 | 179.9° | 179.9° |
| C33 | C34 | C35 | C36 | 0.2° | 0.3° |
| C33 | C34 | S37 | O38 | 110.7° | 156.5° |
| C33 | C34 | S37 | O39 | 115.0° | 23.5° |
| C33 | C34 | S37 | N40 | 1.9° | 90.0° |
| C33 | C34 | C35 | H66 | 179.9° | 180.0° |
| C34 | C35 | C36 | H66 | 180.0° | 179.7° |
| C35 | C34 | S37 | O38 | 69.1° | 23.5° |
| C35 | C34 | S37 | O39 | 65.1° | 156.4° |
| C35 | C34 | S37 | N40 | 178.2° | 90.0° |
| C35 | C34 | C33 | H65 | 179.9° | 180.0° |
| C34 | C35 | C36 | H67 | 179.8° | 179.8° |
| S37 | C34 | C35 | C36 | 180.0° | 179.8° |
| C34 | S37 | O38 | O39 | 128.0° | 123.0° |
| C34 | S37 | O38 | N40 | 105.4° | 114.1° |
| C34 | S37 | O39 | N40 | 107.3° | 114.1° |
| S37 | C34 | C33 | H65 | 0.0° | 0.1° |
| S37 | C34 | C35 | H66 | 0.0° | 0.1° |
| C34 | S37 | N40 | H69 | 180.0° | 0.0° |
| C34 | S37 | N40 | H68 | 60.0° | 180.0° |
| O38 | S37 | O39 | N40 | 127.1° | 123.0° |
| O38 | S37 | N40 | H69 | 69.9° | 113.5° |
| O38 | S37 | N40 | H68 | 50.1° | 66.4° |
| O39 | S37 | N40 | H69 | 64.4° | 113.6° |
| O39 | S37 | N40 | H68 | 175.6° | 66.5° |
| S37 | N40 | H69 | H68 | 120.0° | 179.9° |
| H51 | C20 | C21 | H52 | 145.1° | 145.0° |
| H51 | C20 | C21 | H53 | 4.5° | 0.1° |
| H51 | C20 | C22 | H55 | 3.6° | 0.0° |
| H51 | C20 | C22 | H54 | 144.9° | 145.0° |
| H52 | C21 | C22 | H55 | 141.0° | 145.0° |
| H52 | C21 | C22 | H54 | 0.4° | 0.0° |
| H53 | C21 | C22 | H55 | 0.4° | 0.0° |
| H53 | C21 | C22 | H54 | 140.9° | 145.0° |
| H56 | C23 | C24 | H57 | 173.1° | 177.3° |
| H56 | C23 | C24 | H58 | 65.2° | 57.1° |
| H56 | C23 | C28 | H64 | 65.6° | 57.0° |
| H56 | C23 | C28 | H63 | 174.4° | 177.3° |
| H57 | C24 | C25 | H59 | 60.1° | 57.7° |
| H57 | C24 | C25 | H60 | 179.0° | 177.8° |
| H58 | C24 | C25 | H59 | 61.6° | 62.5° |
| H58 | C24 | C25 | H60 | 57.3° | 57.5° |
| H61 | C27 | C28 | H64 | 66.6° | 57.5° |
| H61 | C27 | C28 | H63 | 53.4° | 177.7° |
| H62 | C27 | C28 | H64 | 53.0° | 62.5° |
| H62 | C27 | C28 | H63 | 172.9° | 57.8° |
| H41 | C2 | C5 | H9 | 46.8° | 46.8° |
| H42 | C2 | C5 | H9 | 170.4° | 170.3° |
| H44 | C3 | C4 | H10 | 30.1° | 41.0° |
| H43 | C3 | C4 | H10 | 152.6° | 163.5° |
| H10 | C4 | C5 | H9 | 174.0° | 179.9° |
| H10 | C4 | C8 | H48 | 48.2° | 41.2° |
| H10 | C4 | C8 | H47 | 171.8° | 163.8° |
| H9 | C5 | C6 | H45 | 45.1° | 46.6° |
| H9 | C5 | C6 | H46 | 168.5° | 170.2° |
| H66 | C35 | C36 | H67 | 0.2° | 0.0° |
