XVB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | doub | 1.33Å | 1.37Å | Aromatic |
| C1 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C7 | sing | 1.48Å | 1.51Å | |
| N2 | C3 | sing | 1.32Å | 1.38Å | Aromatic |
| C3 | C6 | doub | 1.39Å | 1.42Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.43Å | Aromatic |
| C6 | S30 | sing | 1.76Å | 1.69Å | |
| C7 | O8 | doub | 1.22Å | 1.26Å | |
| C7 | N9 | sing | 1.35Å | 1.39Å | |
| N9 | C10 | sing | 1.50Å | 1.50Å | |
| N9 | C11 | sing | 1.49Å | 1.52Å | |
| C10 | C13 | sing | 1.51Å | 1.52Å | |
| C11 | C12 | sing | 1.49Å | 1.53Å | |
| C12 | C13 | sing | 1.58Å | 1.55Å | |
| C12 | C16 | sing | 1.49Å | 1.52Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C14 | N15 | sing | 1.50Å | 1.53Å | |
| N15 | C16 | sing | 1.49Å | 1.48Å | |
| N15 | C19 | sing | 1.35Å | 1.36Å | |
| C19 | C20 | sing | 1.48Å | 1.51Å | |
| C19 | O21 | doub | 1.21Å | 1.23Å | |
| C20 | C22 | doub | 1.40Å | 1.41Å | Aromatic |
| C20 | C26 | sing | 1.40Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | N24 | doub | 1.32Å | 1.37Å | Aromatic |
| C23 | C27 | sing | 1.51Å | 1.50Å | |
| N24 | C25 | sing | 1.32Å | 1.34Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.41Å | Aromatic |
| C25 | O34 | sing | 1.36Å | 1.38Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C27 | C29 | sing | 1.53Å | 1.55Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| S30 | N31 | sing | 1.66Å | 1.64Å | |
| S30 | O32 | doub | 1.42Å | 1.41Å | |
| S30 | O33 | doub | 1.42Å | 1.47Å | |
| O34 | C35 | sing | 1.43Å | 1.44Å | |
| C35 | C36 | sing | 1.53Å | 1.56Å | |
| C36 | C37 | sing | 1.53Å | 1.56Å | |
| C36 | C41 | sing | 1.53Å | 1.53Å | |
| C37 | C38 | sing | 1.53Å | 1.59Å | |
| C38 | O39 | sing | 1.43Å | 1.43Å | |
| O39 | C40 | sing | 1.43Å | 1.44Å | |
| C40 | C41 | sing | 1.53Å | 1.59Å | |
| C10 | H45 | sing | 1.09Å | 1.10Å | |
| C10 | H46 | sing | 1.09Å | 1.10Å | |
| C11 | H48 | sing | 1.09Å | 1.10Å | |
| C11 | H47 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H52 | sing | 1.09Å | 1.10Å | |
| C16 | H51 | sing | 1.09Å | 1.10Å | |
| C22 | H53 | sing | 1.08Å | 1.08Å | |
| C26 | H54 | sing | 1.08Å | 1.08Å | |
| C27 | H55 | sing | 1.09Å | 1.10Å | |
| C28 | H56 | sing | 1.09Å | 1.10Å | |
| C28 | H57 | sing | 1.09Å | 1.10Å | |
| C3 | H42 | sing | 1.08Å | 1.08Å | |
| C4 | H43 | sing | 1.08Å | 1.08Å | |
| C5 | H44 | sing | 1.08Å | 1.08Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H49 | sing | 1.09Å | 1.10Å | |
| C14 | H50 | sing | 1.09Å | 1.10Å | |
| C29 | H59 | sing | 1.09Å | 1.10Å | |
| C29 | H58 | sing | 1.09Å | 1.10Å | |
| N31 | H61 | sing | 0.97Å | 1.00Å | |
| N31 | H60 | sing | 0.97Å | 1.00Å | |
| C35 | H63 | sing | 1.09Å | 1.10Å | |
| C35 | H62 | sing | 1.09Å | 1.10Å | |
| C36 | H64 | sing | 1.09Å | 1.10Å | |
| C37 | H66 | sing | 1.09Å | 1.10Å | |
| C37 | H65 | sing | 1.09Å | 1.10Å | |
| C38 | H67 | sing | 1.09Å | 1.10Å | |
| C38 | H68 | sing | 1.09Å | 1.10Å | |
| C40 | H70 | sing | 1.09Å | 1.10Å | |
| C40 | H69 | sing | 1.09Å | 1.10Å | |
| C41 | H72 | sing | 1.09Å | 1.10Å | |
| C41 | H71 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | C4 | 124.5° | 120.5° |
| N2 | C1 | C7 | 118.0° | 119.8° |
| C1 | N2 | C3 | 117.9° | 121.7° |
| C4 | C1 | C7 | 117.5° | 119.7° |
| C1 | C4 | C5 | 116.7° | 119.1° |
| C1 | C4 | H43 | 121.7° | 120.4° |
| C1 | C7 | O8 | 118.0° | 120.0° |
| C1 | C7 | N9 | 119.8° | 120.0° |
| N2 | C3 | C6 | 122.7° | 120.9° |
| N2 | C3 | H42 | 118.7° | 119.6° |
| C3 | C6 | C5 | 116.7° | 119.3° |
| C3 | C6 | S30 | 122.6° | 120.3° |
| C6 | C3 | H42 | 118.7° | 119.6° |
| C4 | C5 | C6 | 121.6° | 118.5° |
| C5 | C4 | H43 | 121.6° | 120.5° |
| C4 | C5 | H44 | 119.2° | 120.8° |
| C5 | C6 | S30 | 120.6° | 120.4° |
| C6 | C5 | H44 | 119.2° | 120.7° |
| C6 | S30 | N31 | 103.2° | 107.2° |
| C6 | S30 | O32 | 103.9° | 106.4° |
| C6 | S30 | O33 | 108.9° | 106.4° |
| O8 | C7 | N9 | 122.2° | 120.0° |
| C7 | N9 | C10 | 117.5° | 126.1° |
| C7 | N9 | C11 | 123.0° | 126.2° |
| C10 | N9 | C11 | 111.3° | 107.8° |
| N9 | C10 | C13 | 100.0° | 102.4° |
| N9 | C10 | H45 | 111.8° | 110.8° |
| N9 | C10 | H46 | 111.8° | 111.0° |
| N9 | C11 | C12 | 100.9° | 104.6° |
| N9 | C11 | H48 | 111.5° | 110.4° |
| N9 | C11 | H47 | 111.5° | 110.5° |
| C10 | C13 | C12 | 100.5° | 97.8° |
| C10 | C13 | C14 | 125.5° | 124.1° |
| C13 | C10 | H45 | 111.8° | 110.8° |
| C13 | C10 | H46 | 111.8° | 110.8° |
| C10 | C13 | H18 | 109.1° | 111.2° |
| C11 | C12 | C13 | 102.2° | 100.6° |
| C11 | C12 | C16 | 123.3° | 129.3° |
| C12 | C11 | H48 | 111.6° | 110.4° |
| C12 | C11 | H47 | 111.6° | 110.4° |
| C11 | C12 | H17 | 110.4° | 108.6° |
| C13 | C12 | C16 | 98.6° | 100.6° |
| C12 | C13 | C14 | 102.6° | 97.8° |
| C12 | C13 | H18 | 108.6° | 112.6° |
| C13 | C12 | H17 | 110.1° | 107.5° |
| C12 | C16 | N15 | 96.1° | 104.6° |
| C12 | C16 | H52 | 112.7° | 110.4° |
| C12 | C16 | H51 | 112.7° | 110.4° |
| C16 | C12 | H17 | 110.6° | 107.9° |
| C13 | C14 | N15 | 98.7° | 102.4° |
| C14 | C13 | H18 | 109.0° | 111.2° |
| C13 | C14 | H49 | 112.1° | 110.8° |
| C13 | C14 | H50 | 112.1° | 110.8° |
| C14 | N15 | C16 | 112.3° | 107.8° |
| C14 | N15 | C19 | 121.0° | 126.1° |
| N15 | C14 | H49 | 112.1° | 110.8° |
| N15 | C14 | H50 | 112.1° | 110.8° |
| C16 | N15 | C19 | 123.2° | 126.1° |
| N15 | C16 | H52 | 112.7° | 110.4° |
| N15 | C16 | H51 | 112.7° | 110.5° |
| N15 | C19 | C20 | 121.2° | 120.0° |
| N15 | C19 | O21 | 119.8° | 120.0° |
| C20 | C19 | O21 | 118.9° | 120.0° |
| C19 | C20 | C22 | 115.5° | 120.9° |
| C19 | C20 | C26 | 122.3° | 120.9° |
| C22 | C20 | C26 | 122.0° | 118.2° |
| C20 | C22 | C23 | 117.4° | 119.2° |
| C20 | C22 | H53 | 121.3° | 120.4° |
| C20 | C26 | C25 | 115.3° | 119.0° |
| C20 | C26 | H54 | 122.4° | 120.5° |
| C22 | C23 | N24 | 121.8° | 120.9° |
| C22 | C23 | C27 | 121.7° | 119.5° |
| C23 | C22 | H53 | 121.3° | 120.4° |
| N24 | C23 | C27 | 116.6° | 119.6° |
| C23 | N24 | C25 | 118.4° | 122.0° |
| C23 | C27 | C28 | 118.6° | 117.5° |
| C23 | C27 | C29 | 120.2° | 117.6° |
| C23 | C27 | H55 | 116.2° | 115.5° |
| N24 | C25 | C26 | 125.2° | 120.7° |
| N24 | C25 | O34 | 118.9° | 119.6° |
| C26 | C25 | O34 | 115.8° | 119.6° |
| C25 | C26 | H54 | 122.4° | 120.5° |
| C25 | O34 | C35 | 115.4° | 117.0° |
| C28 | C27 | C29 | 58.9° | 60.0° |
| C27 | C28 | C29 | 61.1° | 60.0° |
| C28 | C27 | H55 | 115.5° | 117.5° |
| C27 | C28 | H56 | 119.8° | 117.5° |
| C27 | C28 | H57 | 119.8° | 117.5° |
| C27 | C29 | C28 | 60.0° | 60.0° |
| C29 | C27 | H55 | 115.2° | 117.5° |
| C27 | C29 | H59 | 120.0° | 117.4° |
| C27 | C29 | H58 | 120.0° | 117.5° |
| C29 | C28 | H56 | 119.8° | 117.5° |
| C29 | C28 | H57 | 119.8° | 117.5° |
| C28 | C29 | H59 | 120.0° | 117.5° |
| C28 | C29 | H58 | 120.0° | 117.5° |
| N31 | S30 | O32 | 111.0° | 106.4° |
| N31 | S30 | O33 | 108.5° | 106.4° |
| S30 | N31 | H61 | 109.5° | 120.0° |
| S30 | N31 | H60 | 109.5° | 120.0° |
| O32 | S30 | O33 | 119.9° | 123.1° |
| O34 | C35 | C36 | 105.5° | 109.5° |
| O34 | C35 | H63 | 110.4° | 109.5° |
| O34 | C35 | H62 | 110.5° | 109.4° |
| C35 | C36 | C37 | 108.6° | 109.6° |
| C35 | C36 | C41 | 108.2° | 109.6° |
| C36 | C35 | H63 | 110.5° | 109.5° |
| C36 | C35 | H62 | 110.5° | 109.4° |
| C35 | C36 | H64 | 110.1° | 109.6° |
| C37 | C36 | C41 | 109.2° | 109.0° |
| C36 | C37 | C38 | 109.6° | 109.2° |
| C37 | C36 | H64 | 110.1° | 109.6° |
| C36 | C37 | H66 | 109.4° | 109.5° |
| C36 | C37 | H65 | 109.5° | 109.5° |
| C36 | C41 | C40 | 109.8° | 109.2° |
| C41 | C36 | H64 | 110.5° | 109.5° |
| C36 | C41 | H72 | 109.4° | 109.5° |
| C36 | C41 | H71 | 109.4° | 109.5° |
| C37 | C38 | O39 | 111.0° | 109.4° |
| C38 | C37 | H66 | 109.5° | 109.5° |
| C38 | C37 | H65 | 109.4° | 109.5° |
| C37 | C38 | H67 | 109.1° | 109.5° |
| C37 | C38 | H68 | 109.1° | 109.5° |
| C38 | O39 | C40 | 114.6° | 114.1° |
| O39 | C38 | H67 | 109.1° | 109.5° |
| O39 | C38 | H68 | 109.1° | 109.5° |
| O39 | C40 | C41 | 111.9° | 109.4° |
| O39 | C40 | H70 | 108.9° | 109.5° |
| O39 | C40 | H69 | 108.9° | 109.4° |
| C41 | C40 | H70 | 108.9° | 109.5° |
| C41 | C40 | H69 | 108.9° | 109.5° |
| C40 | C41 | H72 | 109.4° | 109.5° |
| C40 | C41 | H71 | 109.4° | 109.5° |
| H45 | C10 | H46 | 109.5° | 110.7° |
| H48 | C11 | H47 | 109.5° | 110.3° |
| H52 | C16 | H51 | 109.5° | 110.3° |
| H56 | C28 | H57 | 109.5° | 115.6° |
| H49 | C14 | H50 | 109.5° | 110.9° |
| H59 | C29 | H58 | 109.5° | 115.6° |
| H61 | N31 | H60 | 109.5° | 120.0° |
| H63 | C35 | H62 | 109.5° | 109.5° |
| H66 | C37 | H65 | 109.5° | 109.5° |
| H67 | C38 | H68 | 109.4° | 109.5° |
| H70 | C40 | H69 | 109.5° | 109.5° |
| H72 | C41 | H71 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | C4 | C7 | 179.8° | 179.8° |
| C1 | N2 | C3 | C6 | 0.4° | 0.0° |
| N2 | C1 | C4 | C5 | 0.6° | 0.0° |
| N2 | C1 | C7 | O8 | 79.2° | 180.0° |
| N2 | C1 | C7 | N9 | 98.7° | 0.1° |
| C1 | N2 | C3 | H42 | 179.6° | 180.0° |
| N2 | C1 | C4 | H43 | 179.4° | 180.0° |
| C4 | C1 | N2 | C3 | 0.8° | 0.0° |
| C1 | C4 | C5 | H43 | 180.0° | 180.0° |
| C1 | C4 | C5 | C6 | 0.1° | 0.0° |
| C4 | C1 | C7 | O8 | 100.7° | 0.2° |
| C4 | C1 | C7 | N9 | 81.5° | 179.7° |
| C1 | C4 | C5 | H44 | 179.9° | 180.0° |
| C7 | C1 | N2 | C3 | 179.0° | 179.8° |
| C7 | C1 | C4 | C5 | 179.2° | 179.8° |
| C1 | C7 | O8 | N9 | 177.8° | 179.9° |
| C1 | C7 | N9 | C10 | 171.5° | 180.0° |
| C1 | C7 | N9 | C11 | 25.8° | 0.1° |
| C7 | C1 | C4 | H43 | 0.8° | 0.3° |
| N2 | C3 | C6 | H42 | 180.0° | 180.0° |
| N2 | C3 | C6 | C5 | 0.1° | 0.0° |
| N2 | C3 | C6 | S30 | 178.7° | 180.0° |
| C3 | C6 | C5 | C4 | 0.2° | 0.0° |
| C3 | C6 | C5 | S30 | 178.7° | 180.0° |
| C3 | C6 | S30 | N31 | 106.7° | 90.1° |
| C3 | C6 | S30 | O32 | 137.3° | 156.4° |
| C3 | C6 | S30 | O33 | 8.4° | 23.5° |
| C3 | C6 | C5 | H44 | 179.8° | 180.0° |
| C4 | C5 | C6 | H44 | 180.0° | 179.9° |
| C4 | C5 | C6 | S30 | 178.9° | 179.9° |
| C5 | C6 | S30 | N31 | 74.7° | 90.0° |
| C5 | C6 | S30 | O32 | 41.3° | 23.6° |
| C5 | C6 | S30 | O33 | 170.2° | 156.5° |
| C5 | C6 | C3 | H42 | 179.9° | 180.0° |
| C6 | C5 | C4 | H43 | 179.9° | 180.0° |
| C6 | S30 | N31 | O32 | 110.8° | 113.5° |
| C6 | S30 | N31 | O33 | 115.5° | 113.6° |
| C6 | S30 | O32 | O33 | 121.9° | 123.0° |
| S30 | C6 | C3 | H42 | 1.3° | 0.1° |
| S30 | C6 | C5 | H44 | 1.1° | 0.0° |
| C6 | S30 | N31 | H61 | 180.0° | 0.1° |
| C6 | S30 | N31 | H60 | 60.0° | 180.0° |
| O8 | C7 | N9 | C10 | 6.3° | 0.0° |
| O8 | C7 | N9 | C11 | 152.0° | 180.0° |
| C7 | N9 | C10 | C11 | 149.5° | 180.0° |
| C7 | N9 | C10 | C13 | 124.3° | 154.1° |
| C7 | N9 | C11 | C12 | 152.7° | 173.3° |
| C7 | N9 | C10 | H45 | 5.9° | 87.6° |
| C7 | N9 | C10 | H46 | 117.3° | 35.9° |
| C7 | N9 | C11 | H48 | 88.7° | 54.5° |
| C7 | N9 | C11 | H47 | 34.1° | 67.9° |
| N9 | C10 | C13 | H45 | 118.4° | 118.3° |
| N9 | C10 | C13 | H46 | 118.4° | 118.4° |
| C10 | N9 | C11 | C12 | 5.1° | 6.8° |
| N9 | C10 | C13 | C12 | 44.5° | 45.7° |
| N9 | C10 | C13 | C14 | 158.4° | 150.6° |
| N9 | C10 | H45 | H46 | 124.5° | 123.7° |
| C10 | N9 | C11 | H48 | 123.7° | 125.6° |
| C10 | N9 | C11 | H47 | 113.5° | 112.1° |
| N9 | C10 | C13 | H18 | 69.5° | 72.3° |
| C11 | N9 | C10 | C13 | 25.2° | 25.9° |
| N9 | C11 | C12 | H48 | 118.6° | 118.8° |
| N9 | C11 | C12 | H47 | 118.6° | 118.9° |
| N9 | C11 | C12 | C13 | 32.9° | 35.0° |
| N9 | C11 | C12 | C16 | 141.9° | 148.4° |
| C11 | N9 | C10 | H45 | 143.6° | 92.4° |
| C11 | N9 | C10 | H46 | 93.2° | 144.1° |
| N9 | C11 | H48 | H47 | 123.9° | 122.5° |
| N9 | C11 | C12 | H17 | 84.2° | 77.7° |
| C10 | C13 | C12 | C11 | 49.7° | 50.1° |
| C10 | C13 | C12 | C14 | 130.3° | 126.2° |
| C10 | C13 | C12 | H18 | 114.4° | 116.9° |
| C10 | C13 | C12 | C16 | 176.6° | 176.2° |
| C10 | C13 | C14 | H18 | 132.1° | 137.1° |
| C10 | C13 | C14 | N15 | 142.1° | 150.6° |
| C13 | C10 | H45 | H46 | 124.4° | 123.3° |
| C10 | C13 | C12 | H17 | 67.6° | 63.5° |
| C10 | C13 | C14 | H49 | 99.7° | 91.2° |
| C10 | C13 | C14 | H50 | 23.9° | 32.4° |
| C11 | C12 | C13 | C16 | 126.9° | 133.7° |
| C11 | C12 | C13 | H17 | 117.3° | 113.6° |
| C11 | C12 | C16 | H17 | 133.9° | 134.2° |
| C11 | C12 | C13 | C14 | 180.0° | 176.3° |
| C11 | C12 | C16 | N15 | 162.6° | 148.3° |
| C12 | C11 | H48 | H47 | 124.0° | 122.3° |
| C11 | C12 | C13 | H18 | 64.7° | 66.8° |
| C11 | C12 | C16 | H52 | 79.7° | 92.8° |
| C11 | C12 | C16 | H51 | 44.9° | 29.5° |
| C13 | C12 | C16 | H17 | 115.3° | 112.5° |
| C12 | C13 | C14 | H18 | 115.1° | 118.0° |
| C12 | C13 | C14 | N15 | 29.2° | 45.6° |
| C13 | C12 | C16 | N15 | 51.8° | 35.0° |
| C12 | C13 | C10 | H45 | 163.0° | 72.6° |
| C12 | C13 | C10 | H46 | 73.9° | 164.1° |
| C13 | C12 | C11 | H48 | 151.5° | 153.8° |
| C13 | C12 | C11 | H47 | 85.7° | 83.9° |
| C13 | C12 | C16 | H52 | 169.6° | 153.8° |
| C13 | C12 | C16 | H51 | 65.9° | 83.9° |
| C12 | C13 | C14 | H49 | 147.4° | 163.9° |
| C12 | C13 | C14 | H50 | 89.0° | 72.6° |
| C16 | C12 | C13 | C14 | 53.1° | 50.1° |
| C12 | C16 | N15 | C14 | 36.2° | 6.7° |
| C12 | C16 | N15 | H52 | 117.8° | 118.8° |
| C12 | C16 | N15 | H51 | 117.7° | 118.8° |
| C12 | C16 | N15 | C19 | 164.8° | 173.2° |
| C16 | C12 | C11 | H48 | 99.5° | 92.8° |
| C16 | C12 | C11 | H47 | 23.3° | 29.4° |
| C16 | C12 | C13 | H18 | 62.2° | 66.9° |
| C12 | C16 | H52 | H51 | 126.3° | 122.3° |
| C13 | C14 | N15 | H49 | 118.2° | 118.2° |
| C13 | C14 | N15 | H50 | 118.2° | 118.2° |
| C13 | C14 | N15 | C16 | 4.3° | 25.9° |
| C13 | C14 | N15 | C19 | 163.8° | 154.2° |
| C14 | C13 | C10 | H45 | 83.1° | 32.3° |
| C14 | C13 | C10 | H46 | 40.0° | 91.0° |
| C14 | C13 | C12 | H17 | 62.7° | 62.7° |
| C13 | C14 | H49 | H50 | 125.1° | 123.5° |
| C14 | N15 | C16 | C19 | 159.0° | 180.0° |
| C14 | N15 | C19 | C20 | 174.6° | 174.7° |
| C14 | N15 | C19 | O21 | 9.4° | 5.4° |
| N15 | C14 | C13 | H18 | 85.8° | 72.3° |
| C14 | N15 | C16 | H52 | 153.9° | 125.6° |
| C14 | N15 | C16 | H51 | 81.6° | 112.1° |
| N15 | C14 | H49 | H50 | 125.1° | 123.5° |
| C16 | N15 | C19 | C20 | 17.3° | 5.4° |
| C16 | N15 | C19 | O21 | 166.6° | 174.6° |
| N15 | C16 | H52 | H51 | 126.2° | 122.4° |
| N15 | C16 | C12 | H17 | 63.5° | 77.5° |
| C16 | N15 | C14 | H49 | 113.9° | 144.1° |
| C16 | N15 | C14 | H50 | 122.5° | 92.3° |
| N15 | C19 | C20 | O21 | 176.1° | 180.0° |
| N15 | C19 | C20 | C22 | 60.2° | 149.6° |
| N15 | C19 | C20 | C26 | 124.4° | 30.2° |
| C19 | N15 | C16 | H52 | 47.0° | 54.4° |
| C19 | N15 | C16 | H51 | 77.5° | 67.9° |
| C19 | N15 | C14 | H49 | 45.6° | 35.9° |
| C19 | N15 | C14 | H50 | 78.0° | 87.6° |
| C19 | C20 | C22 | C26 | 175.5° | 179.7° |
| C19 | C20 | C22 | C23 | 175.7° | 180.0° |
| C19 | C20 | C26 | C25 | 174.3° | 180.0° |
| C19 | C20 | C22 | H53 | 4.3° | 0.0° |
| C19 | C20 | C26 | H54 | 5.8° | 0.0° |
| O21 | C19 | C20 | C22 | 115.9° | 30.4° |
| O21 | C19 | C20 | C26 | 59.6° | 149.9° |
| C20 | C22 | C23 | H53 | 180.0° | 180.0° |
| C20 | C22 | C23 | N24 | 1.1° | 0.0° |
| C20 | C22 | C23 | C27 | 178.8° | 180.0° |
| C22 | C20 | C26 | C25 | 0.9° | 0.3° |
| C22 | C20 | C26 | H54 | 179.1° | 179.7° |
| C26 | C20 | C22 | C23 | 0.2° | 0.2° |
| C20 | C26 | C25 | N24 | 1.2° | 0.1° |
| C20 | C26 | C25 | H54 | 180.0° | 180.0° |
| C20 | C26 | C25 | O34 | 179.3° | 180.0° |
| C26 | C20 | C22 | H53 | 179.8° | 179.7° |
| C22 | C23 | N24 | C27 | 179.9° | 180.0° |
| C22 | C23 | N24 | C25 | 0.9° | 0.2° |
| C22 | C23 | C27 | C28 | 154.5° | 85.0° |
| C22 | C23 | C27 | C29 | 136.8° | 16.3° |
| C22 | C23 | C27 | H55 | 9.8° | 129.4° |
| C23 | N24 | C25 | C26 | 0.4° | 0.1° |
| C23 | N24 | C25 | O34 | 178.4° | 179.7° |
| N24 | C23 | C27 | C28 | 25.4° | 95.0° |
| N24 | C23 | C27 | C29 | 43.3° | 163.7° |
| N24 | C23 | C22 | H53 | 178.8° | 180.0° |
| N24 | C23 | C27 | H55 | 170.1° | 50.6° |
| C27 | C23 | N24 | C25 | 179.0° | 179.8° |
| C23 | C27 | C28 | C29 | 109.8° | 107.6° |
| C23 | C27 | C28 | H55 | 144.9° | 144.9° |
| C23 | C27 | C29 | H55 | 147.0° | 145.0° |
| C27 | C23 | C22 | H53 | 1.3° | 0.0° |
| C23 | C27 | C28 | H56 | 140.4° | 145.0° |
| C23 | C27 | C28 | H57 | 0.1° | 0.0° |
| C23 | C27 | C29 | H59 | 2.2° | 0.0° |
| C23 | C27 | C29 | H58 | 143.3° | 145.0° |
| N24 | C25 | C26 | O34 | 178.1° | 179.9° |
| N24 | C25 | O34 | C35 | 3.8° | 0.1° |
| N24 | C25 | C26 | H54 | 178.7° | 179.9° |
| C26 | C25 | O34 | C35 | 178.0° | 180.0° |
| C25 | O34 | C35 | C36 | 179.0° | 180.0° |
| O34 | C25 | C26 | H54 | 0.7° | 0.1° |
| C25 | O34 | C35 | H63 | 59.6° | 60.0° |
| C25 | O34 | C35 | H62 | 61.6° | 60.1° |
| C28 | C27 | C29 | H55 | 105.8° | 107.5° |
| C27 | C28 | C29 | H56 | 109.8° | 107.5° |
| C27 | C28 | C29 | H57 | 109.8° | 107.5° |
| C27 | C28 | H56 | H57 | 144.1° | 145.7° |
| C28 | C27 | C29 | H59 | 109.5° | 107.5° |
| C28 | C27 | C29 | H58 | 109.5° | 107.5° |
| C27 | C29 | H59 | H58 | 144.7° | 145.7° |
| C29 | C28 | H56 | H57 | 144.1° | 145.7° |
| C28 | C29 | H59 | H58 | 144.8° | 145.7° |
| N31 | S30 | O32 | O33 | 127.7° | 123.0° |
| S30 | N31 | H61 | H60 | 120.0° | 180.0° |
| O32 | S30 | N31 | H61 | 69.2° | 113.6° |
| O32 | S30 | N31 | H60 | 50.8° | 66.5° |
| O33 | S30 | N31 | H61 | 64.5° | 113.5° |
| O33 | S30 | N31 | H60 | 175.5° | 66.4° |
| O34 | C35 | C36 | H63 | 119.4° | 120.1° |
| O34 | C35 | C36 | H62 | 119.4° | 119.9° |
| O34 | C35 | C36 | C37 | 72.4° | 175.0° |
| O34 | C35 | C36 | C41 | 169.2° | 65.5° |
| O34 | C35 | H63 | H62 | 121.8° | 120.0° |
| O34 | C35 | C36 | H64 | 48.3° | 54.7° |
| C35 | C36 | C37 | C41 | 117.8° | 119.9° |
| C35 | C36 | C37 | H64 | 120.6° | 120.3° |
| C35 | C36 | C41 | H64 | 120.6° | 120.2° |
| C35 | C36 | C37 | C38 | 174.4° | 176.8° |
| C35 | C36 | C41 | C40 | 173.9° | 176.8° |
| C36 | C35 | H63 | H62 | 121.9° | 120.0° |
| C35 | C36 | C37 | H66 | 54.4° | 56.9° |
| C35 | C36 | C37 | H65 | 65.6° | 63.2° |
| C35 | C36 | C41 | H72 | 66.0° | 63.2° |
| C35 | C36 | C41 | H71 | 53.9° | 56.9° |
| C37 | C36 | C41 | H64 | 121.3° | 119.9° |
| C36 | C37 | C38 | H66 | 120.0° | 119.9° |
| C36 | C37 | C38 | H65 | 120.0° | 119.9° |
| C36 | C37 | C38 | O39 | 55.9° | 57.6° |
| C37 | C36 | C41 | C40 | 55.9° | 57.0° |
| C37 | C36 | C35 | H63 | 168.2° | 65.0° |
| C37 | C36 | C35 | H62 | 47.0° | 55.0° |
| C36 | C37 | H66 | H65 | 119.9° | 120.1° |
| C36 | C37 | C38 | H67 | 176.1° | 177.6° |
| C36 | C37 | C38 | H68 | 64.4° | 62.4° |
| C37 | C36 | C41 | H72 | 175.9° | 176.9° |
| C37 | C36 | C41 | H71 | 64.2° | 63.0° |
| C41 | C36 | C37 | C38 | 56.6° | 57.0° |
| C36 | C41 | C40 | O39 | 55.2° | 57.6° |
| C36 | C41 | C40 | H72 | 120.0° | 119.9° |
| C36 | C41 | C40 | H71 | 120.1° | 119.9° |
| C41 | C36 | C35 | H63 | 49.8° | 54.6° |
| C41 | C36 | C35 | H62 | 71.4° | 174.6° |
| C41 | C36 | C37 | H66 | 63.5° | 63.0° |
| C41 | C36 | C37 | H65 | 176.6° | 176.9° |
| C36 | C41 | C40 | H70 | 175.5° | 177.6° |
| C36 | C41 | C40 | H69 | 65.2° | 62.4° |
| C36 | C41 | H72 | H71 | 119.9° | 120.1° |
| C37 | C38 | O39 | H67 | 120.2° | 120.0° |
| C37 | C38 | O39 | H68 | 120.2° | 120.0° |
| C37 | C38 | O39 | C40 | 56.5° | 61.1° |
| C38 | C37 | C36 | H64 | 65.0° | 62.9° |
| C38 | C37 | H66 | H65 | 120.0° | 120.2° |
| C37 | C38 | H67 | H68 | 119.3° | 120.0° |
| C38 | O39 | C40 | C41 | 56.2° | 61.1° |
| O39 | C38 | C37 | H66 | 64.1° | 62.3° |
| O39 | C38 | C37 | H65 | 175.9° | 177.5° |
| O39 | C38 | H67 | H68 | 119.3° | 120.1° |
| C38 | O39 | C40 | H70 | 176.5° | 178.8° |
| C38 | O39 | C40 | H69 | 64.2° | 58.8° |
| O39 | C40 | C41 | H70 | 120.3° | 120.0° |
| O39 | C40 | C41 | H69 | 120.4° | 119.9° |
| C40 | O39 | C38 | H67 | 176.7° | 178.9° |
| C40 | O39 | C38 | H68 | 63.7° | 58.8° |
| O39 | C40 | H70 | H69 | 118.9° | 120.0° |
| O39 | C40 | C41 | H72 | 175.2° | 177.5° |
| O39 | C40 | C41 | H71 | 64.9° | 62.3° |
| C40 | C41 | C36 | H64 | 65.4° | 62.9° |
| C41 | C40 | H70 | H69 | 118.9° | 120.1° |
| C40 | C41 | H72 | H71 | 119.8° | 120.2° |
| H45 | C10 | C13 | H18 | 48.9° | 169.5° |
| H46 | C10 | C13 | H18 | 172.0° | 46.1° |
| H48 | C11 | C12 | H17 | 34.4° | 41.1° |
| H47 | C11 | C12 | H17 | 157.2° | 163.3° |
| H18 | C13 | C12 | H17 | 178.0° | 179.6° |
| H18 | C13 | C14 | H49 | 32.4° | 45.9° |
| H18 | C13 | C14 | H50 | 155.9° | 169.5° |
| H52 | C16 | C12 | H17 | 54.2° | 41.3° |
| H51 | C16 | C12 | H17 | 178.7° | 163.6° |
| H55 | C27 | C28 | H56 | 4.5° | 0.0° |
| H55 | C27 | C28 | H57 | 145.0° | 145.0° |
| H55 | C27 | C29 | H59 | 144.7° | 145.0° |
| H55 | C27 | C29 | H58 | 3.7° | 0.0° |
| H56 | C28 | C29 | H59 | 140.8° | 145.1° |
| H56 | C28 | C29 | H58 | 0.3° | 0.1° |
| H57 | C28 | C29 | H59 | 0.3° | 0.0° |
| H57 | C28 | C29 | H58 | 140.8° | 145.0° |
| H43 | C4 | C5 | H44 | 0.1° | 0.0° |
| H63 | C35 | C36 | H64 | 71.1° | 174.8° |
| H62 | C35 | C36 | H64 | 167.6° | 65.2° |
| H64 | C36 | C37 | H66 | 175.0° | 177.2° |
| H64 | C36 | C37 | H65 | 55.0° | 57.0° |
| H64 | C36 | C41 | H72 | 54.6° | 57.0° |
| H64 | C36 | C41 | H71 | 174.5° | 177.1° |
| H66 | C37 | C38 | H67 | 56.1° | 57.7° |
| H66 | C37 | C38 | H68 | 175.6° | 177.7° |
| H65 | C37 | C38 | H67 | 63.9° | 62.5° |
| H65 | C37 | C38 | H68 | 55.6° | 57.5° |
| H70 | C40 | C41 | H72 | 64.4° | 62.5° |
| H70 | C40 | C41 | H71 | 55.5° | 57.7° |
| H69 | C40 | C41 | H72 | 54.9° | 57.6° |
| H69 | C40 | C41 | H71 | 174.8° | 177.7° |
