A1IHE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | sing | 1.43Å | 1.41Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C3 | O4 | sing | 1.43Å | 1.44Å | |
| O4 | C5 | sing | 1.43Å | 1.43Å | |
| C5 | S6 | sing | 1.81Å | 1.83Å | |
| S6 | C7 | sing | 1.76Å | 1.77Å | |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | CL10 | sing | 1.73Å | 1.73Å | |
| C9 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | CL12 | sing | 1.74Å | 1.73Å | |
| C11 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | O16 | sing | 1.43Å | 1.42Å | |
| O16 | C17 | sing | 1.43Å | 1.43Å | |
| C17 | C18 | sing | 1.47Å | 1.46Å | |
| C18 | C19 | trip | 1.17Å | 1.18Å | |
| C15 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | O21 | sing | 1.43Å | 1.43Å | |
| O21 | C22 | sing | 1.43Å | 1.43Å | |
| C22 | C23 | sing | 1.51Å | 1.49Å | |
| C23 | N24 | doub | 1.30Å | 1.32Å | Aromatic |
| N24 | C25 | sing | 1.36Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.40Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.36Å | 1.38Å | Aromatic |
| C27 | C28 | doub | 1.40Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.47Å | 1.51Å | |
| C29 | O30 | sing | 1.35Å | 1.26Å | |
| C29 | O31 | doub | 1.21Å | 1.25Å | |
| C28 | C32 | sing | 1.40Å | 1.40Å | Aromatic |
| C25 | C33 | sing | 1.41Å | 1.39Å | Aromatic |
| C33 | N34 | sing | 1.38Å | 1.39Å | Aromatic |
| N34 | C35 | sing | 1.46Å | 1.47Å | |
| C20 | C36 | sing | 1.53Å | 1.52Å | |
| C36 | O37 | sing | 1.43Å | 1.43Å | |
| C36 | C3 | sing | 1.53Å | 1.52Å | |
| C14 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| N34 | C23 | sing | 1.36Å | 1.37Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.05Å | 1.06Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C35 | H35C | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| O30 | H2 | sing | 0.97Å | 0.95Å | |
| O37 | H37 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | C3 | 113.1° | 109.5° |
| O1 | C2 | H2A | 108.5° | 109.5° |
| O1 | C2 | H2B | 108.6° | 109.5° |
| C2 | O1 | H1 | 109.5° | 114.0° |
| C2 | C3 | O4 | 107.5° | 109.5° |
| C2 | C3 | C36 | 113.5° | 109.5° |
| C3 | C2 | H2A | 108.5° | 109.4° |
| C3 | C2 | H2B | 108.6° | 109.5° |
| C2 | C3 | H3 | 108.4° | 109.5° |
| C3 | O4 | C5 | 112.9° | 114.1° |
| O4 | C3 | C36 | 109.7° | 109.4° |
| O4 | C3 | H3 | 109.4° | 109.5° |
| O4 | C5 | S6 | 114.0° | 109.5° |
| O4 | C5 | C15 | 111.7° | 109.5° |
| O4 | C5 | H5 | 108.4° | 109.5° |
| C5 | S6 | C7 | 97.5° | 103.0° |
| S6 | C5 | C15 | 110.8° | 109.5° |
| S6 | C5 | H5 | 104.3° | 109.4° |
| S6 | C7 | C8 | 119.2° | 120.0° |
| S6 | C7 | C14 | 121.1° | 120.0° |
| C7 | C8 | C9 | 120.0° | 119.9° |
| C8 | C7 | C14 | 119.7° | 119.9° |
| C7 | C8 | H8 | 120.0° | 120.1° |
| C8 | C9 | CL10 | 118.7° | 120.0° |
| C8 | C9 | C11 | 120.3° | 120.0° |
| C9 | C8 | H8 | 120.0° | 120.0° |
| CL10 | C9 | C11 | 121.0° | 120.0° |
| C9 | C11 | CL12 | 120.7° | 119.9° |
| C9 | C11 | C13 | 120.1° | 120.1° |
| CL12 | C11 | C13 | 119.2° | 120.0° |
| C11 | C13 | C14 | 119.9° | 120.1° |
| C11 | C13 | H13 | 120.0° | 119.9° |
| C13 | C14 | C7 | 120.0° | 119.9° |
| C14 | C13 | H13 | 120.0° | 120.0° |
| C13 | C14 | H14 | 120.0° | 120.0° |
| C5 | C15 | O16 | 112.4° | 109.6° |
| C5 | C15 | C20 | 111.3° | 109.1° |
| C15 | C5 | H5 | 107.1° | 109.5° |
| C5 | C15 | H15 | 108.6° | 109.6° |
| C15 | O16 | C17 | 112.4° | 114.0° |
| O16 | C15 | C20 | 105.9° | 109.5° |
| O16 | C15 | H15 | 110.0° | 109.5° |
| O16 | C17 | C18 | 112.0° | 109.5° |
| O16 | C17 | H17A | 108.8° | 109.5° |
| O16 | C17 | H17B | 108.8° | 109.5° |
| C17 | C18 | C19 | 177.4° | 180.0° |
| C18 | C17 | H17A | 108.8° | 109.5° |
| C18 | C17 | H17B | 108.8° | 109.4° |
| C18 | C19 | H19 | 180.0° | 180.0° |
| C15 | C20 | O21 | 110.1° | 109.6° |
| C15 | C20 | C36 | 110.1° | 109.0° |
| C20 | C15 | H15 | 108.6° | 109.5° |
| C15 | C20 | H20 | 109.1° | 109.6° |
| C20 | O21 | C22 | 114.3° | 114.0° |
| O21 | C20 | C36 | 108.0° | 109.5° |
| O21 | C20 | H20 | 110.4° | 109.6° |
| O21 | C22 | C23 | 110.7° | 109.4° |
| O21 | C22 | H22A | 109.2° | 109.5° |
| O21 | C22 | H22B | 109.1° | 109.5° |
| C22 | C23 | N24 | 124.2° | 124.9° |
| C22 | C23 | N34 | 122.8° | 124.9° |
| C23 | C22 | H22A | 109.1° | 109.5° |
| C23 | C22 | H22B | 109.2° | 109.5° |
| C23 | N24 | C25 | 104.9° | 109.7° |
| N24 | C23 | N34 | 113.0° | 110.2° |
| N24 | C25 | C26 | 130.2° | 133.4° |
| N24 | C25 | C33 | 110.3° | 106.8° |
| C25 | C26 | C27 | 119.0° | 120.1° |
| C26 | C25 | C33 | 119.5° | 119.8° |
| C25 | C26 | H26 | 120.5° | 120.0° |
| C26 | C27 | C28 | 121.3° | 120.5° |
| C27 | C26 | H26 | 120.5° | 119.9° |
| C26 | C27 | H27 | 119.4° | 119.7° |
| C27 | C28 | C29 | 120.0° | 120.0° |
| C27 | C28 | C32 | 120.0° | 120.1° |
| C28 | C27 | H27 | 119.4° | 119.8° |
| C28 | C29 | O30 | 117.2° | 120.0° |
| C28 | C29 | O31 | 118.3° | 120.0° |
| C29 | C28 | C32 | 120.0° | 119.9° |
| O30 | C29 | O31 | 124.6° | 120.0° |
| C29 | O30 | H2 | 109.5° | 117.0° |
| C28 | C32 | C33 | 118.1° | 119.6° |
| C28 | C32 | H32 | 120.9° | 120.2° |
| C25 | C33 | N34 | 105.2° | 106.0° |
| C25 | C33 | C32 | 122.2° | 120.0° |
| C33 | N34 | C35 | 125.6° | 126.4° |
| C33 | N34 | C23 | 106.7° | 107.3° |
| N34 | C33 | C32 | 132.6° | 134.0° |
| C35 | N34 | C23 | 127.8° | 126.4° |
| N34 | C35 | H35B | 109.5° | 109.5° |
| N34 | C35 | H35A | 109.5° | 109.5° |
| N34 | C35 | H35C | 109.5° | 109.5° |
| C20 | C36 | O37 | 108.5° | 109.5° |
| C20 | C36 | C3 | 109.2° | 109.2° |
| C36 | C20 | H20 | 109.1° | 109.6° |
| C20 | C36 | H36 | 108.6° | 109.6° |
| O37 | C36 | C3 | 112.1° | 109.5° |
| O37 | C36 | H36 | 109.8° | 109.5° |
| C36 | O37 | H37 | 109.5° | 114.0° |
| C36 | C3 | H3 | 108.3° | 109.5° |
| C3 | C36 | H36 | 108.6° | 109.5° |
| C7 | C14 | H14 | 120.0° | 120.1° |
| C33 | C32 | H32 | 121.0° | 120.2° |
| H2A | C2 | H2B | 109.5° | 109.5° |
| H17A | C17 | H17B | 109.5° | 109.6° |
| H22A | C22 | H22B | 109.5° | 109.5° |
| H35B | C35 | H35A | 109.4° | 109.5° |
| H35B | C35 | H35C | 109.4° | 109.5° |
| H35A | C35 | H35C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C3 | H2A | 120.5° | 120.0° |
| O1 | C2 | C3 | H2B | 120.5° | 120.0° |
| O1 | C2 | C3 | O4 | 65.6° | 65.0° |
| O1 | C2 | C3 | C36 | 172.9° | 175.1° |
| O1 | C2 | H2A | H2B | 118.3° | 120.0° |
| O1 | C2 | C3 | H3 | 52.6° | 55.0° |
| C2 | C3 | O4 | C36 | 123.8° | 120.0° |
| C2 | C3 | O4 | H3 | 117.6° | 120.0° |
| C2 | C3 | O4 | C5 | 174.4° | 178.9° |
| C2 | C3 | C36 | C20 | 179.7° | 177.5° |
| C2 | C3 | C36 | O37 | 60.1° | 57.7° |
| C2 | C3 | C36 | H3 | 120.4° | 120.1° |
| C3 | C2 | H2A | H2B | 118.3° | 120.0° |
| C3 | C2 | O1 | H1 | 180.0° | 180.0° |
| C2 | C3 | C36 | H36 | 61.4° | 62.5° |
| C3 | O4 | C5 | S6 | 69.2° | 58.9° |
| C3 | O4 | C5 | C15 | 57.4° | 61.2° |
| O4 | C3 | C36 | C20 | 60.1° | 57.6° |
| O4 | C3 | C36 | O37 | 60.1° | 62.3° |
| O4 | C3 | C36 | H3 | 119.3° | 120.0° |
| O4 | C3 | C2 | H2A | 54.9° | 175.0° |
| O4 | C3 | C2 | H2B | 173.9° | 55.0° |
| C3 | O4 | C5 | H5 | 175.2° | 178.8° |
| O4 | C3 | C36 | H36 | 178.3° | 177.5° |
| O4 | C5 | S6 | C15 | 127.0° | 120.0° |
| O4 | C5 | S6 | H5 | 118.0° | 120.0° |
| O4 | C5 | S6 | C7 | 53.4° | 70.0° |
| O4 | C5 | C15 | H5 | 118.5° | 120.0° |
| O4 | C5 | C15 | O16 | 170.4° | 177.5° |
| O4 | C5 | C15 | C20 | 51.8° | 57.6° |
| C5 | O4 | C3 | C36 | 61.7° | 61.1° |
| C5 | O4 | C3 | H3 | 56.9° | 58.8° |
| O4 | C5 | C15 | H15 | 67.7° | 62.3° |
| C5 | S6 | C7 | C8 | 101.4° | 180.0° |
| S6 | C5 | C15 | H5 | 113.2° | 120.0° |
| S6 | C5 | C15 | O16 | 42.2° | 57.5° |
| S6 | C5 | C15 | C20 | 76.5° | 62.4° |
| C5 | S6 | C7 | C14 | 77.6° | 0.3° |
| S6 | C5 | C15 | H15 | 164.0° | 177.7° |
| S6 | C7 | C8 | C14 | 179.0° | 179.8° |
| S6 | C7 | C8 | C9 | 179.2° | 179.7° |
| S6 | C7 | C14 | C13 | 179.0° | 179.7° |
| C7 | S6 | C5 | C15 | 179.6° | 170.0° |
| C7 | S6 | C5 | H5 | 64.6° | 50.0° |
| S6 | C7 | C14 | H14 | 1.1° | 0.2° |
| S6 | C7 | C8 | H8 | 0.8° | 0.2° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | CL10 | 177.9° | 180.0° |
| C7 | C8 | C9 | C11 | 0.4° | 0.0° |
| C8 | C7 | C14 | C13 | 0.0° | 0.1° |
| C8 | C7 | C14 | H14 | 180.0° | 180.0° |
| C8 | C9 | CL10 | C11 | 178.2° | 180.0° |
| C8 | C9 | C11 | CL12 | 177.8° | 180.0° |
| C8 | C9 | C11 | C13 | 0.3° | 0.0° |
| C9 | C8 | C7 | C14 | 0.2° | 0.0° |
| CL10 | C9 | C11 | CL12 | 4.0° | 0.0° |
| CL10 | C9 | C11 | C13 | 177.9° | 180.0° |
| CL10 | C9 | C8 | H8 | 2.1° | 0.0° |
| C9 | C11 | CL12 | C13 | 178.1° | 179.9° |
| C9 | C11 | C13 | C14 | 0.1° | 0.1° |
| C9 | C11 | C13 | H13 | 179.9° | 179.9° |
| C11 | C9 | C8 | H8 | 179.6° | 180.0° |
| CL12 | C11 | C13 | C14 | 178.0° | 180.0° |
| CL12 | C11 | C13 | H13 | 2.0° | 0.0° |
| C11 | C13 | C14 | H13 | 180.0° | 180.0° |
| C11 | C13 | C14 | C7 | 0.0° | 0.1° |
| C11 | C13 | C14 | H14 | 180.0° | 180.0° |
| C13 | C14 | C7 | H14 | 180.0° | 179.9° |
| C5 | C15 | O16 | C20 | 121.7° | 119.7° |
| C5 | C15 | O16 | H15 | 121.1° | 120.2° |
| C5 | C15 | O16 | C17 | 70.0° | 90.0° |
| C5 | C15 | C20 | H15 | 119.5° | 119.9° |
| C5 | C15 | C20 | O21 | 170.7° | 176.8° |
| C5 | C15 | C20 | C36 | 51.6° | 57.0° |
| C5 | C15 | C20 | H20 | 68.1° | 62.9° |
| C15 | O16 | C17 | C18 | 70.0° | 180.0° |
| O16 | C15 | C20 | H15 | 118.1° | 120.1° |
| O16 | C15 | C20 | O21 | 66.9° | 63.2° |
| O16 | C15 | C20 | C36 | 174.1° | 176.9° |
| O16 | C15 | C5 | H5 | 71.0° | 62.5° |
| C15 | O16 | C17 | H17A | 169.7° | 60.1° |
| C15 | O16 | C17 | H17B | 50.4° | 60.0° |
| O16 | C15 | C20 | H20 | 54.3° | 57.0° |
| O16 | C17 | C18 | H17A | 120.4° | 120.0° |
| O16 | C17 | C18 | H17B | 120.3° | 120.0° |
| O16 | C17 | C18 | C19 | 104.7° | 101.4° |
| C17 | O16 | C15 | C20 | 168.3° | 150.3° |
| C17 | O16 | C15 | H15 | 51.1° | 30.2° |
| O16 | C17 | H17A | H17B | 118.8° | 120.0° |
| C18 | C17 | H17A | H17B | 118.9° | 120.0° |
| C17 | C18 | C19 | H19 | 127.1° | 125.7° |
| C19 | C18 | C17 | H17A | 134.9° | 138.7° |
| C19 | C18 | C17 | H17B | 15.6° | 18.6° |
| C15 | C20 | O21 | C36 | 120.3° | 119.6° |
| C15 | C20 | O21 | H20 | 120.5° | 120.2° |
| C15 | C20 | O21 | C22 | 103.8° | 150.0° |
| C15 | C20 | C36 | H20 | 119.7° | 119.9° |
| C15 | C20 | C36 | O37 | 66.7° | 62.9° |
| C15 | C20 | C36 | C3 | 55.7° | 57.0° |
| C20 | C15 | C5 | H5 | 170.3° | 177.6° |
| C15 | C20 | C36 | H36 | 173.9° | 176.9° |
| C20 | O21 | C22 | C23 | 175.6° | 180.0° |
| O21 | C20 | C36 | H20 | 120.0° | 120.2° |
| O21 | C20 | C36 | O37 | 53.5° | 57.0° |
| O21 | C20 | C36 | C3 | 175.9° | 176.9° |
| O21 | C20 | C15 | H15 | 51.2° | 56.9° |
| C20 | O21 | C22 | H22A | 55.5° | 60.0° |
| C20 | O21 | C22 | H22B | 64.2° | 60.1° |
| O21 | C20 | C36 | H36 | 65.8° | 63.2° |
| O21 | C22 | C23 | H22A | 120.2° | 120.0° |
| O21 | C22 | C23 | H22B | 120.2° | 120.0° |
| O21 | C22 | C23 | N24 | 113.6° | 90.0° |
| C22 | O21 | C20 | C36 | 135.9° | 90.4° |
| O21 | C22 | C23 | N34 | 70.0° | 90.3° |
| C22 | O21 | C20 | H20 | 16.7° | 29.7° |
| O21 | C22 | H22A | H22B | 119.4° | 120.0° |
| C22 | C23 | N24 | N34 | 176.7° | 179.7° |
| C22 | C23 | N24 | C25 | 176.5° | 180.0° |
| C22 | C23 | N34 | C33 | 176.6° | 180.0° |
| C22 | C23 | N34 | C35 | 2.9° | 0.2° |
| C23 | C22 | H22A | H22B | 119.4° | 120.0° |
| C23 | N24 | C25 | C26 | 179.0° | 179.9° |
| C23 | N24 | C25 | C33 | 0.1° | 0.2° |
| N24 | C23 | N34 | C33 | 0.1° | 0.3° |
| N24 | C23 | N34 | C35 | 179.6° | 179.9° |
| N24 | C23 | C22 | H22A | 6.6° | 150.0° |
| N24 | C23 | C22 | H22B | 126.2° | 30.0° |
| N24 | C25 | C26 | C33 | 179.0° | 179.9° |
| N24 | C25 | C26 | C27 | 179.0° | 179.9° |
| N24 | C25 | C33 | N34 | 0.0° | 0.0° |
| C25 | N24 | C23 | N34 | 0.1° | 0.3° |
| N24 | C25 | C33 | C32 | 179.3° | 180.0° |
| N24 | C25 | C26 | H26 | 0.9° | 0.1° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.1° | 0.0° |
| C26 | C25 | C33 | N34 | 179.2° | 179.9° |
| C26 | C25 | C33 | C32 | 0.1° | 0.1° |
| C25 | C26 | C27 | H27 | 179.9° | 179.9° |
| C26 | C27 | C28 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 179.1° | 179.9° |
| C26 | C27 | C28 | C32 | 0.2° | 0.0° |
| C27 | C26 | C25 | C33 | 0.0° | 0.1° |
| C27 | C28 | C29 | C32 | 179.3° | 180.0° |
| C27 | C28 | C29 | O30 | 11.2° | 0.0° |
| C27 | C28 | C29 | O31 | 167.6° | 180.0° |
| C27 | C28 | C32 | C33 | 0.1° | 0.0° |
| C28 | C27 | C26 | H26 | 179.9° | 179.9° |
| C27 | C28 | C32 | H32 | 179.9° | 179.9° |
| C28 | C29 | O30 | O31 | 178.7° | 180.0° |
| C29 | C28 | C32 | C33 | 179.2° | 180.0° |
| C29 | C28 | C27 | H27 | 0.9° | 0.0° |
| C29 | C28 | C32 | H32 | 0.8° | 0.1° |
| C28 | C29 | O30 | H2 | 178.7° | 179.9° |
| O30 | C29 | C28 | C32 | 169.5° | 180.0° |
| O31 | C29 | C28 | C32 | 11.7° | 0.0° |
| O31 | C29 | O30 | H2 | 0.0° | 0.1° |
| C28 | C32 | C33 | C25 | 0.0° | 0.0° |
| C28 | C32 | C33 | N34 | 179.0° | 180.0° |
| C28 | C32 | C33 | H32 | 180.0° | 180.0° |
| C32 | C28 | C27 | H27 | 179.8° | 180.0° |
| C25 | C33 | N34 | C32 | 179.2° | 180.0° |
| C25 | C33 | N34 | C35 | 179.5° | 180.0° |
| C25 | C33 | N34 | C23 | 0.1° | 0.1° |
| C33 | C25 | C26 | H26 | 180.0° | 180.0° |
| C25 | C33 | C32 | H32 | 180.0° | 180.0° |
| C33 | N34 | C35 | C23 | 179.4° | 179.8° |
| N34 | C33 | C32 | H32 | 1.0° | 0.0° |
| C33 | N34 | C35 | H35B | 180.0° | 90.0° |
| C33 | N34 | C35 | H35A | 60.0° | 150.0° |
| C33 | N34 | C35 | H35C | 60.0° | 30.0° |
| C35 | N34 | C33 | C32 | 0.4° | 0.0° |
| N34 | C35 | H35B | H35A | 120.0° | 120.0° |
| N34 | C35 | H35B | H35C | 120.0° | 120.0° |
| N34 | C35 | H35A | H35C | 120.0° | 120.0° |
| C20 | C36 | O37 | C3 | 120.6° | 119.7° |
| C20 | C36 | O37 | H36 | 118.6° | 120.2° |
| C20 | C36 | C3 | H36 | 118.2° | 120.0° |
| C20 | C36 | C3 | H3 | 59.2° | 62.4° |
| C36 | C20 | C15 | H15 | 67.8° | 63.0° |
| C20 | C36 | O37 | H37 | 180.0° | 180.0° |
| O37 | C36 | C3 | H36 | 121.5° | 120.1° |
| O37 | C36 | C3 | H3 | 179.5° | 177.7° |
| O37 | C36 | C20 | H20 | 173.5° | 177.2° |
| C36 | C3 | C2 | H2A | 66.6° | 55.1° |
| C36 | C3 | C2 | H2B | 52.4° | 64.9° |
| C3 | C36 | C20 | H20 | 64.0° | 62.9° |
| C3 | C36 | O37 | H37 | 59.3° | 60.3° |
| C7 | C14 | C13 | H13 | 180.0° | 179.9° |
| C14 | C7 | C8 | H8 | 179.8° | 180.0° |
| C23 | N34 | C33 | C32 | 179.1° | 179.9° |
| N34 | C23 | C22 | H22A | 169.8° | 29.7° |
| N34 | C23 | C22 | H22B | 50.2° | 149.7° |
| C23 | N34 | C35 | H35B | 0.6° | 90.2° |
| C23 | N34 | C35 | H35A | 120.6° | 29.8° |
| C23 | N34 | C35 | H35C | 119.4° | 149.8° |
| H2A | C2 | C3 | H3 | 173.1° | 65.0° |
| H2A | C2 | O1 | H1 | 59.5° | 60.0° |
| H2B | C2 | C3 | H3 | 68.0° | 175.0° |
| H2B | C2 | O1 | H1 | 59.4° | 60.0° |
| H3 | C3 | C36 | H36 | 59.0° | 57.6° |
| H5 | C5 | C15 | H15 | 50.9° | 57.7° |
| H13 | C13 | C14 | H14 | 0.1° | 0.0° |
| H15 | C15 | C20 | H20 | 172.5° | 177.1° |
| H20 | C20 | C36 | H36 | 54.2° | 57.0° |
| H26 | C26 | C27 | H27 | 0.1° | 0.0° |
| H35B | C35 | H35A | H35C | 120.0° | 120.1° |
| H36 | C36 | O37 | H37 | 61.5° | 59.9° |
