A1IWY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | doub | 1.21Å | 1.22Å | |
| C2 | N3 | sing | 1.35Å | 1.31Å | |
| N3 | C4 | sing | 1.46Å | 1.46Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C11 | sing | 1.51Å | 1.54Å | |
| C11 | N12 | sing | 1.47Å | 1.49Å | |
| N12 | C13 | sing | 1.40Å | 1.44Å | |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | CL16 | sing | 1.74Å | 1.73Å | |
| C15 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | O18 | sing | 1.36Å | 1.37Å | |
| O18 | C19 | sing | 1.43Å | 1.42Å | |
| C17 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| N12 | C22 | sing | 1.35Å | 1.40Å | |
| C22 | C23 | sing | 1.43Å | 1.45Å | |
| C23 | C24 | trip | 1.17Å | 1.22Å | |
| C24 | SI25 | sing | 1.90Å | 1.85Å | |
| SI25 | C26 | sing | 1.86Å | 1.86Å | |
| SI25 | C27 | sing | 1.86Å | 1.86Å | |
| SI25 | C28 | sing | 1.86Å | 1.86Å | |
| C22 | O29 | doub | 1.22Å | 1.22Å | |
| C11 | C30 | sing | 1.51Å | 1.54Å | |
| C30 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | S34 | sing | 1.76Å | 1.77Å | |
| S34 | O35 | doub | 1.42Å | 1.45Å | |
| S34 | N36 | sing | 1.66Å | 1.58Å | |
| S34 | O37 | doub | 1.42Å | 1.44Å | |
| C33 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C39 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19C | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C26 | H26C | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | H27C | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C28 | H28C | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| N36 | H36B | sing | 0.97Å | 1.00Å | |
| N36 | H36A | sing | 0.97Å | 1.00Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | N3 | 119.5° | 120.0° |
| O1 | C2 | C11 | 120.0° | 120.0° |
| C2 | N3 | C4 | 118.6° | 120.0° |
| N3 | C2 | C11 | 120.3° | 120.0° |
| C2 | N3 | H3 | 120.7° | 120.0° |
| N3 | C4 | C5 | 117.3° | 109.5° |
| C4 | N3 | H3 | 120.7° | 120.0° |
| N3 | C4 | H4A | 107.4° | 109.5° |
| N3 | C4 | H4B | 107.5° | 109.4° |
| C4 | C5 | C6 | 119.2° | 120.0° |
| C4 | C5 | C10 | 121.3° | 120.0° |
| C5 | C4 | H4A | 107.5° | 109.5° |
| C5 | C4 | H4B | 107.5° | 109.4° |
| C5 | C6 | C7 | 120.8° | 120.1° |
| C6 | C5 | C10 | 118.5° | 120.0° |
| C5 | C6 | H6 | 119.6° | 120.0° |
| C6 | C7 | C8 | 120.1° | 120.0° |
| C7 | C6 | H6 | 119.6° | 120.0° |
| C6 | C7 | H7 | 119.9° | 120.1° |
| C7 | C8 | C9 | 119.7° | 120.0° |
| C8 | C7 | H7 | 120.0° | 120.0° |
| C7 | C8 | H8 | 120.1° | 120.0° |
| C8 | C9 | C10 | 120.2° | 120.0° |
| C9 | C8 | H8 | 120.2° | 120.0° |
| C8 | C9 | H9 | 119.9° | 120.0° |
| C9 | C10 | C5 | 120.7° | 120.0° |
| C10 | C9 | H9 | 119.9° | 120.0° |
| C9 | C10 | H10 | 119.6° | 120.0° |
| C2 | C11 | N12 | 110.3° | 109.5° |
| C2 | C11 | C30 | 113.5° | 109.5° |
| C2 | C11 | H11 | 106.6° | 109.5° |
| C11 | N12 | C13 | 120.0° | 120.0° |
| C11 | N12 | C22 | 120.9° | 120.0° |
| N12 | C11 | C30 | 112.3° | 109.5° |
| N12 | C11 | H11 | 107.2° | 109.4° |
| N12 | C13 | C14 | 119.8° | 120.0° |
| C13 | N12 | C22 | 119.0° | 120.0° |
| N12 | C13 | C21 | 120.6° | 120.0° |
| C13 | C14 | C15 | 118.9° | 120.0° |
| C14 | C13 | C21 | 119.4° | 120.0° |
| C13 | C14 | H14 | 120.5° | 120.0° |
| C14 | C15 | CL16 | 118.8° | 120.0° |
| C14 | C15 | C17 | 121.9° | 120.0° |
| C15 | C14 | H14 | 120.6° | 120.0° |
| CL16 | C15 | C17 | 119.2° | 120.0° |
| C15 | C17 | O18 | 116.2° | 120.0° |
| C15 | C17 | C20 | 119.2° | 120.0° |
| C17 | O18 | C19 | 117.4° | 117.0° |
| O18 | C17 | C20 | 124.5° | 120.0° |
| O18 | C19 | H19B | 109.5° | 109.5° |
| O18 | C19 | H19A | 109.5° | 109.5° |
| O18 | C19 | H19C | 109.5° | 109.5° |
| C17 | C20 | C21 | 119.9° | 120.0° |
| C17 | C20 | H20 | 120.1° | 120.0° |
| C20 | C21 | C13 | 120.8° | 120.0° |
| C21 | C20 | H20 | 120.1° | 120.0° |
| C20 | C21 | H21 | 119.6° | 120.0° |
| N12 | C22 | C23 | 136.6° | 120.0° |
| N12 | C22 | O29 | 111.9° | 120.0° |
| C22 | C23 | C24 | 157.7° | 180.0° |
| C23 | C22 | O29 | 111.3° | 120.0° |
| C23 | C24 | SI25 | 150.6° | 180.0° |
| C24 | SI25 | C26 | 108.5° | 109.5° |
| C24 | SI25 | C27 | 108.5° | 109.5° |
| C24 | SI25 | C28 | 107.9° | 109.5° |
| C26 | SI25 | C27 | 110.5° | 109.5° |
| C26 | SI25 | C28 | 112.9° | 109.5° |
| SI25 | C26 | H26B | 109.5° | 109.5° |
| SI25 | C26 | H26C | 109.5° | 109.5° |
| SI25 | C26 | H26A | 109.5° | 109.4° |
| C27 | SI25 | C28 | 108.3° | 109.5° |
| SI25 | C27 | H27C | 109.5° | 109.5° |
| SI25 | C27 | H27B | 109.4° | 109.5° |
| SI25 | C27 | H27A | 109.5° | 109.5° |
| SI25 | C28 | H28C | 109.5° | 109.5° |
| SI25 | C28 | H28A | 109.4° | 109.5° |
| SI25 | C28 | H28B | 109.5° | 109.5° |
| C11 | C30 | C31 | 120.3° | 120.0° |
| C11 | C30 | C39 | 121.2° | 120.0° |
| C30 | C11 | H11 | 106.6° | 109.5° |
| C30 | C31 | C32 | 121.7° | 120.0° |
| C31 | C30 | C39 | 118.3° | 120.0° |
| C30 | C31 | H31 | 119.1° | 120.0° |
| C31 | C32 | C33 | 119.5° | 120.0° |
| C32 | C31 | H31 | 119.2° | 120.0° |
| C31 | C32 | H32 | 120.3° | 120.0° |
| C32 | C33 | S34 | 118.2° | 120.0° |
| C32 | C33 | C38 | 119.7° | 120.0° |
| C33 | C32 | H32 | 120.2° | 120.0° |
| C33 | S34 | O35 | 107.4° | 106.4° |
| C33 | S34 | N36 | 109.3° | 107.2° |
| C33 | S34 | O37 | 106.7° | 106.4° |
| S34 | C33 | C38 | 122.1° | 120.0° |
| O35 | S34 | N36 | 109.1° | 106.4° |
| O35 | S34 | O37 | 115.1° | 123.2° |
| N36 | S34 | O37 | 109.1° | 106.4° |
| S34 | N36 | H36B | 109.5° | 120.0° |
| S34 | N36 | H36A | 109.5° | 120.0° |
| C33 | C38 | C39 | 119.5° | 120.0° |
| C33 | C38 | H38 | 120.3° | 120.0° |
| C38 | C39 | C30 | 121.3° | 120.0° |
| C39 | C38 | H38 | 120.2° | 120.0° |
| C38 | C39 | H39 | 119.4° | 120.0° |
| C5 | C10 | H10 | 119.6° | 120.0° |
| C13 | C21 | H21 | 119.6° | 120.0° |
| C30 | C39 | H39 | 119.3° | 120.0° |
| H4A | C4 | H4B | 109.5° | 109.5° |
| H19B | C19 | H19A | 109.5° | 109.5° |
| H19B | C19 | H19C | 109.5° | 109.5° |
| H19A | C19 | H19C | 109.5° | 109.4° |
| H26B | C26 | H26C | 109.5° | 109.5° |
| H26B | C26 | H26A | 109.5° | 109.5° |
| H26C | C26 | H26A | 109.5° | 109.5° |
| H27C | C27 | H27B | 109.5° | 109.4° |
| H27C | C27 | H27A | 109.5° | 109.5° |
| H27B | C27 | H27A | 109.5° | 109.4° |
| H28C | C28 | H28A | 109.4° | 109.5° |
| H28C | C28 | H28B | 109.5° | 109.5° |
| H28A | C28 | H28B | 109.5° | 109.4° |
| H36B | N36 | H36A | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | N3 | C11 | 175.7° | 179.7° |
| O1 | C2 | N3 | C4 | 5.1° | 0.0° |
| O1 | C2 | C11 | N12 | 26.4° | 0.0° |
| O1 | C2 | C11 | C30 | 100.6° | 120.0° |
| O1 | C2 | N3 | H3 | 174.8° | 179.9° |
| O1 | C2 | C11 | H11 | 142.4° | 120.0° |
| C2 | N3 | C4 | H3 | 180.0° | 179.9° |
| C2 | N3 | C4 | C5 | 92.2° | 180.0° |
| N3 | C2 | C11 | N12 | 149.4° | 179.7° |
| N3 | C2 | C11 | C30 | 83.7° | 60.2° |
| C2 | N3 | C4 | H4A | 146.6° | 60.0° |
| C2 | N3 | C4 | H4B | 28.9° | 60.0° |
| N3 | C2 | C11 | H11 | 33.3° | 59.8° |
| N3 | C4 | C5 | H4A | 121.1° | 120.0° |
| N3 | C4 | C5 | H4B | 121.1° | 119.9° |
| N3 | C4 | C5 | C6 | 144.2° | 90.0° |
| C4 | N3 | C2 | C11 | 170.6° | 179.7° |
| N3 | C4 | C5 | C10 | 24.0° | 90.2° |
| N3 | C4 | H4A | H4B | 116.4° | 120.0° |
| C4 | C5 | C6 | C10 | 168.5° | 179.7° |
| C4 | C5 | C6 | C7 | 167.7° | 180.0° |
| C4 | C5 | C10 | C9 | 167.4° | 179.8° |
| C5 | C4 | N3 | H3 | 87.8° | 0.0° |
| C5 | C4 | H4A | H4B | 116.5° | 120.0° |
| C4 | C5 | C6 | H6 | 12.3° | 0.0° |
| C4 | C5 | C10 | H10 | 12.6° | 0.2° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.4° | 0.0° |
| C6 | C5 | C10 | C9 | 0.9° | 0.4° |
| C6 | C5 | C4 | H4A | 23.1° | 30.0° |
| C6 | C5 | C4 | H4B | 94.7° | 150.0° |
| C5 | C6 | C7 | H7 | 179.6° | 179.9° |
| C6 | C5 | C10 | H10 | 179.1° | 180.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.1° | 0.0° |
| C7 | C6 | C5 | C10 | 0.8° | 0.2° |
| C6 | C7 | C8 | H8 | 179.9° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.0° | 0.2° |
| C8 | C7 | C6 | H6 | 179.6° | 180.0° |
| C7 | C8 | C9 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | C5 | 0.5° | 0.4° |
| C9 | C8 | C7 | H7 | 179.9° | 180.0° |
| C8 | C9 | C10 | H10 | 179.5° | 180.0° |
| C9 | C10 | C5 | H10 | 180.0° | 179.6° |
| C10 | C9 | C8 | H8 | 180.0° | 179.8° |
| C2 | C11 | N12 | C30 | 127.6° | 120.1° |
| C2 | C11 | N12 | H11 | 115.7° | 120.0° |
| C2 | C11 | N12 | C13 | 99.5° | 114.7° |
| C2 | C11 | N12 | C22 | 76.2° | 65.3° |
| C2 | C11 | C30 | H11 | 117.0° | 120.0° |
| C2 | C11 | C30 | C31 | 136.7° | 117.9° |
| C2 | C11 | C30 | C39 | 48.2° | 62.3° |
| C11 | C2 | N3 | H3 | 9.4° | 0.2° |
| C11 | N12 | C13 | C22 | 175.8° | 180.0° |
| C11 | N12 | C13 | C14 | 88.8° | 69.7° |
| C11 | N12 | C22 | C23 | 28.8° | 175.0° |
| C11 | N12 | C22 | O29 | 157.4° | 5.0° |
| N12 | C11 | C30 | H11 | 117.1° | 119.9° |
| N12 | C11 | C30 | C31 | 97.4° | 122.1° |
| C11 | N12 | C13 | C21 | 86.0° | 110.6° |
| N12 | C11 | C30 | C39 | 77.7° | 57.7° |
| N12 | C13 | C14 | C21 | 174.8° | 179.8° |
| N12 | C13 | C14 | C15 | 174.1° | 180.0° |
| N12 | C13 | C21 | C20 | 174.1° | 179.8° |
| C13 | N12 | C22 | C23 | 155.4° | 5.0° |
| C13 | N12 | C22 | O29 | 18.4° | 175.0° |
| C13 | N12 | C11 | C30 | 28.1° | 5.3° |
| C13 | N12 | C11 | H11 | 144.8° | 125.3° |
| N12 | C13 | C14 | H14 | 6.0° | 0.0° |
| N12 | C13 | C21 | H21 | 5.9° | 0.2° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | CL16 | 175.5° | 180.0° |
| C13 | C14 | C15 | C17 | 0.5° | 0.0° |
| C14 | C13 | C21 | C20 | 0.7° | 0.4° |
| C14 | C13 | N12 | C22 | 87.1° | 110.4° |
| C14 | C13 | C21 | H21 | 179.3° | 179.9° |
| C14 | C15 | CL16 | C17 | 176.1° | 180.0° |
| C14 | C15 | C17 | O18 | 177.0° | 180.0° |
| C14 | C15 | C17 | C20 | 0.1° | 0.0° |
| C15 | C14 | C13 | C21 | 0.7° | 0.2° |
| CL16 | C15 | C17 | O18 | 1.1° | 0.0° |
| CL16 | C15 | C17 | C20 | 175.8° | 180.0° |
| CL16 | C15 | C14 | H14 | 4.5° | 0.0° |
| C15 | C17 | O18 | C20 | 176.7° | 180.0° |
| C15 | C17 | O18 | C19 | 173.4° | 180.0° |
| C15 | C17 | C20 | C21 | 0.1° | 0.2° |
| C17 | C15 | C14 | H14 | 179.5° | 180.0° |
| C15 | C17 | C20 | H20 | 179.9° | 180.0° |
| O18 | C17 | C20 | C21 | 176.7° | 179.8° |
| C17 | O18 | C19 | H19B | 180.0° | 60.0° |
| C17 | O18 | C19 | H19A | 60.0° | 60.0° |
| C17 | O18 | C19 | H19C | 60.0° | 180.0° |
| O18 | C17 | C20 | H20 | 3.3° | 0.0° |
| C19 | O18 | C17 | C20 | 3.3° | 0.0° |
| O18 | C19 | H19B | H19A | 120.0° | 120.0° |
| O18 | C19 | H19B | H19C | 120.0° | 120.0° |
| O18 | C19 | H19A | H19C | 120.0° | 120.0° |
| C17 | C20 | C21 | H20 | 180.0° | 179.8° |
| C17 | C20 | C21 | C13 | 0.3° | 0.5° |
| C17 | C20 | C21 | H21 | 179.6° | 179.9° |
| C20 | C21 | C13 | H21 | 180.0° | 179.6° |
| N12 | C22 | C23 | O29 | 173.8° | 180.0° |
| N12 | C22 | C23 | C24 | 165.8° | 119.0° |
| C22 | N12 | C11 | C30 | 156.2° | 174.7° |
| C22 | N12 | C13 | C21 | 98.2° | 69.4° |
| C22 | N12 | C11 | H11 | 39.4° | 54.7° |
| C22 | C23 | C24 | SI25 | 4.0° | 172.7° |
| C23 | C24 | SI25 | C26 | 157.3° | 111.7° |
| C23 | C24 | SI25 | C27 | 37.1° | 128.2° |
| C23 | C24 | SI25 | C28 | 80.0° | 8.2° |
| C24 | C23 | C22 | O29 | 8.0° | 60.9° |
| C24 | SI25 | C26 | C27 | 118.8° | 120.0° |
| C24 | SI25 | C26 | C28 | 119.6° | 120.0° |
| C24 | SI25 | C27 | C28 | 116.9° | 120.0° |
| C24 | SI25 | C26 | H26B | 180.0° | 60.0° |
| C24 | SI25 | C26 | H26C | 60.0° | 180.0° |
| C24 | SI25 | C26 | H26A | 60.0° | 60.0° |
| C24 | SI25 | C27 | H27C | 180.0° | 60.0° |
| C24 | SI25 | C27 | H27B | 60.0° | 180.0° |
| C24 | SI25 | C27 | H27A | 60.0° | 60.0° |
| C24 | SI25 | C28 | H28C | 180.0° | 60.0° |
| C24 | SI25 | C28 | H28A | 60.0° | 180.0° |
| C24 | SI25 | C28 | H28B | 60.0° | 60.0° |
| C26 | SI25 | C27 | C28 | 124.2° | 120.0° |
| SI25 | C26 | H26B | H26C | 120.0° | 120.0° |
| SI25 | C26 | H26B | H26A | 120.0° | 119.9° |
| SI25 | C26 | H26C | H26A | 120.0° | 120.0° |
| C26 | SI25 | C27 | H27C | 61.1° | 180.0° |
| C26 | SI25 | C27 | H27B | 58.9° | 60.0° |
| C26 | SI25 | C27 | H27A | 178.9° | 60.0° |
| C26 | SI25 | C28 | H28C | 60.1° | 60.1° |
| C26 | SI25 | C28 | H28A | 180.0° | 60.0° |
| C26 | SI25 | C28 | H28B | 60.0° | 179.9° |
| C27 | SI25 | C26 | H26B | 61.2° | 60.0° |
| C27 | SI25 | C26 | H26C | 178.8° | 60.0° |
| C27 | SI25 | C26 | H26A | 58.8° | 180.0° |
| SI25 | C27 | H27C | H27B | 120.0° | 120.0° |
| SI25 | C27 | H27C | H27A | 120.0° | 120.0° |
| SI25 | C27 | H27B | H27A | 120.0° | 120.0° |
| C27 | SI25 | C28 | H28C | 62.7° | 180.0° |
| C27 | SI25 | C28 | H28A | 57.2° | 60.0° |
| C27 | SI25 | C28 | H28B | 177.2° | 59.9° |
| C28 | SI25 | C26 | H26B | 60.4° | 180.0° |
| C28 | SI25 | C26 | H26C | 59.6° | 60.0° |
| C28 | SI25 | C26 | H26A | 179.6° | 60.0° |
| C28 | SI25 | C27 | H27C | 63.1° | 60.0° |
| C28 | SI25 | C27 | H27B | 176.9° | 60.0° |
| C28 | SI25 | C27 | H27A | 56.9° | 180.0° |
| SI25 | C28 | H28C | H28A | 120.0° | 120.0° |
| SI25 | C28 | H28C | H28B | 120.0° | 120.0° |
| SI25 | C28 | H28A | H28B | 120.0° | 120.0° |
| C11 | C30 | C31 | C39 | 175.2° | 179.8° |
| C11 | C30 | C31 | C32 | 174.9° | 180.0° |
| C11 | C30 | C39 | C38 | 175.2° | 179.8° |
| C11 | C30 | C31 | H31 | 5.1° | 0.0° |
| C11 | C30 | C39 | H39 | 4.8° | 0.1° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.1° | 0.0° |
| C31 | C30 | C39 | C38 | 0.0° | 0.4° |
| C31 | C30 | C11 | H11 | 19.7° | 2.1° |
| C30 | C31 | C32 | H32 | 179.9° | 180.0° |
| C31 | C30 | C39 | H39 | 180.0° | 179.9° |
| C31 | C32 | C33 | H32 | 180.0° | 179.9° |
| C31 | C32 | C33 | S34 | 178.8° | 180.0° |
| C31 | C32 | C33 | C38 | 0.5° | 0.1° |
| C32 | C31 | C30 | C39 | 0.4° | 0.2° |
| C32 | C33 | S34 | C38 | 179.3° | 179.9° |
| C32 | C33 | S34 | O35 | 103.5° | 23.6° |
| C32 | C33 | S34 | N36 | 138.3° | 89.9° |
| C32 | C33 | S34 | O37 | 20.5° | 156.5° |
| C32 | C33 | C38 | C39 | 0.9° | 0.1° |
| C33 | C32 | C31 | H31 | 179.9° | 180.0° |
| C32 | C33 | C38 | H38 | 179.1° | 179.9° |
| C33 | S34 | O35 | N36 | 118.3° | 114.1° |
| C33 | S34 | O35 | O37 | 118.6° | 123.0° |
| C33 | S34 | N36 | O37 | 116.2° | 113.5° |
| S34 | C33 | C38 | C39 | 178.4° | 179.8° |
| S34 | C33 | C32 | H32 | 1.2° | 0.0° |
| C33 | S34 | N36 | H36B | 180.0° | 0.0° |
| C33 | S34 | N36 | H36A | 60.0° | 179.9° |
| S34 | C33 | C38 | H38 | 1.5° | 0.0° |
| O35 | S34 | N36 | O37 | 126.6° | 132.9° |
| O35 | S34 | C33 | C38 | 77.2° | 156.5° |
| O35 | S34 | N36 | H36B | 62.8° | 113.6° |
| O35 | S34 | N36 | H36A | 177.2° | 66.5° |
| N36 | S34 | C33 | C38 | 41.1° | 90.0° |
| S34 | N36 | H36B | H36A | 120.0° | 179.9° |
| O37 | S34 | C33 | C38 | 158.9° | 23.6° |
| O37 | S34 | N36 | H36B | 63.7° | 113.5° |
| O37 | S34 | N36 | H36A | 56.2° | 66.4° |
| C33 | C38 | C39 | H38 | 180.0° | 179.8° |
| C33 | C38 | C39 | C30 | 0.6° | 0.4° |
| C38 | C33 | C32 | H32 | 179.4° | 180.0° |
| C33 | C38 | C39 | H39 | 179.4° | 180.0° |
| C38 | C39 | C30 | H39 | 180.0° | 179.7° |
| C10 | C5 | C4 | H4A | 145.1° | 149.7° |
| C10 | C5 | C4 | H4B | 97.1° | 29.7° |
| C10 | C5 | C6 | H6 | 179.2° | 179.8° |
| C5 | C10 | C9 | H9 | 179.5° | 179.7° |
| C21 | C13 | C14 | H14 | 179.3° | 179.8° |
| C13 | C21 | C20 | H20 | 179.6° | 179.8° |
| C39 | C30 | C11 | H11 | 165.2° | 177.6° |
| C39 | C30 | C31 | H31 | 179.6° | 179.8° |
| C30 | C39 | C38 | H38 | 179.4° | 179.8° |
| H3 | N3 | C4 | H4A | 33.3° | 120.1° |
| H3 | N3 | C4 | H4B | 151.1° | 119.9° |
| H6 | C6 | C7 | H7 | 0.4° | 0.1° |
| H7 | C7 | C8 | H8 | 0.1° | 0.0° |
| H8 | C8 | C9 | H9 | 0.0° | 0.0° |
| H9 | C9 | C10 | H10 | 0.5° | 0.1° |
| H19B | C19 | H19A | H19C | 120.0° | 120.0° |
| H20 | C20 | C21 | H21 | 0.4° | 0.2° |
| H26B | C26 | H26C | H26A | 120.0° | 120.0° |
| H27C | C27 | H27B | H27A | 120.0° | 119.9° |
| H28C | C28 | H28A | H28B | 120.0° | 120.0° |
| H31 | C31 | C32 | H32 | 0.1° | 0.0° |
| H38 | C38 | C39 | H39 | 0.6° | 0.2° |
