A1C4W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.46Å | |
| C1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.55Å | |
| C2 | C4 | sing | 1.45Å | 1.32Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| S | C5 | sing | 1.71Å | 1.72Å | Aromatic |
| C1 | S | sing | 1.75Å | 1.72Å | Aromatic |
| C5 | N | sing | 1.40Å | 1.39Å | |
| N | C6 | sing | 1.35Å | 1.30Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.45Å | |
| C6 | N1 | doub | 1.31Å | 1.35Å | Aromatic |
| N1 | N2 | sing | 1.29Å | 1.37Å | Aromatic |
| N2 | C8 | doub | 1.30Å | 1.35Å | Aromatic |
| N | C8 | sing | 1.36Å | 1.36Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.47Å | |
| C10 | C9 | sing | 1.53Å | 1.58Å | |
| C11 | C10 | sing | 1.51Å | 1.59Å | |
| O | C11 | doub | 1.21Å | 1.21Å | |
| N3 | C11 | sing | 1.35Å | 1.35Å | |
| C9 | N4 | sing | 1.47Å | 1.49Å | |
| N4 | C12 | doub | 1.29Å | 1.24Å | |
| C4 | C12 | sing | 1.48Å | 1.45Å | |
| C12 | C13 | sing | 1.48Å | 1.49Å | |
| C13 | C14 | doub | 1.40Å | 1.30Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.42Å | Aromatic |
| C17 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.42Å | Aromatic |
| C13 | C18 | sing | 1.40Å | 1.44Å | Aromatic |
| C16 | C19 | sing | 1.48Å | 1.43Å | |
| C19 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.44Å | Aromatic |
| C21 | N5 | sing | 1.40Å | 1.40Å | |
| N5 | C22 | sing | 1.35Å | 1.40Å | |
| C22 | O1 | doub | 1.22Å | 1.22Å | |
| C23 | C22 | sing | 1.47Å | 1.48Å | |
| C23 | C24 | doub | 1.41Å | 1.38Å | Aromatic |
| C24 | N6 | sing | 1.33Å | 1.44Å | Aromatic |
| N6 | C25 | doub | 1.31Å | 1.35Å | Aromatic |
| C25 | C26 | sing | 1.40Å | 1.43Å | Aromatic |
| C26 | C27 | doub | 1.36Å | 1.41Å | Aromatic |
| C27 | N7 | sing | 1.36Å | 1.38Å | Aromatic |
| C24 | N7 | sing | 1.37Å | 1.41Å | Aromatic |
| N7 | N8 | sing | 1.40Å | 1.34Å | Aromatic |
| N8 | C28 | doub | 1.31Å | 1.37Å | Aromatic |
| C28 | C23 | sing | 1.41Å | 1.38Å | Aromatic |
| C29 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.34Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.35Å | Aromatic |
| C19 | C31 | sing | 1.40Å | 1.41Å | Aromatic |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| N3 | H13 | sing | 0.97Å | 1.00Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H18 | sing | 1.08Å | 1.08Å | |
| C26 | H21 | sing | 1.08Å | 1.08Å | |
| C28 | H23 | sing | 1.08Å | 1.08Å | |
| C27 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| N5 | H19 | sing | 0.97Å | 1.00Å | |
| C29 | H24 | sing | 1.08Å | 1.08Å | |
| C30 | H25 | sing | 1.08Å | 1.08Å | |
| C31 | H26 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 126.7° | 124.6° |
| C | C1 | S | 118.5° | 124.7° |
| C1 | C | H1 | 109.5° | 109.4° |
| C1 | C | H2 | 109.5° | 109.4° |
| C1 | C | H3 | 109.5° | 109.5° |
| C1 | C2 | C3 | 121.6° | 123.1° |
| C1 | C2 | C4 | 113.6° | 113.9° |
| C2 | C1 | S | 114.8° | 110.7° |
| C3 | C2 | C4 | 124.7° | 123.0° |
| C2 | C3 | H4 | 109.5° | 109.5° |
| C2 | C3 | H5 | 109.5° | 109.5° |
| C2 | C3 | H6 | 109.5° | 109.5° |
| C2 | C4 | C5 | 111.1° | 111.7° |
| C2 | C4 | C12 | 129.5° | 123.4° |
| C4 | C5 | S | 113.4° | 111.0° |
| C4 | C5 | N | 125.3° | 124.1° |
| C5 | C4 | C12 | 117.7° | 124.8° |
| C5 | S | C1 | 87.0° | 92.6° |
| S | C5 | N | 121.2° | 124.9° |
| C5 | N | C6 | 132.6° | 129.0° |
| C5 | N | C8 | 120.8° | 124.5° |
| N | C6 | C7 | 122.2° | 126.6° |
| N | C6 | N1 | 110.8° | 106.8° |
| C6 | N | C8 | 105.5° | 106.5° |
| C7 | C6 | N1 | 126.7° | 126.7° |
| C6 | C7 | H7 | 109.5° | 109.5° |
| C6 | C7 | H8 | 109.5° | 109.5° |
| C6 | C7 | H9 | 109.5° | 109.4° |
| C6 | N1 | N2 | 108.0° | 109.9° |
| N1 | N2 | C8 | 104.5° | 109.7° |
| N2 | C8 | N | 111.1° | 107.1° |
| N2 | C8 | C9 | 127.1° | 127.8° |
| N | C8 | C9 | 121.8° | 125.0° |
| C8 | C9 | C10 | 114.5° | 109.5° |
| C8 | C9 | N4 | 107.1° | 109.1° |
| C8 | C9 | H | 107.4° | 109.5° |
| C9 | C10 | C11 | 112.3° | 109.5° |
| C10 | C9 | N4 | 114.3° | 109.5° |
| C9 | C10 | H10 | 108.7° | 109.5° |
| C9 | C10 | H11 | 108.8° | 109.5° |
| C10 | C9 | H | 106.1° | 109.6° |
| C10 | C11 | O | 119.3° | 120.0° |
| C10 | C11 | N3 | 116.8° | 120.0° |
| C11 | C10 | H10 | 108.8° | 109.4° |
| C11 | C10 | H11 | 108.8° | 109.4° |
| O | C11 | N3 | 123.7° | 120.0° |
| C11 | N3 | H12 | 120.0° | 120.0° |
| C11 | N3 | H13 | 120.0° | 119.9° |
| C9 | N4 | C12 | 119.4° | 122.5° |
| N4 | C9 | H | 107.1° | 109.6° |
| N4 | C12 | C4 | 124.4° | 125.9° |
| N4 | C12 | C13 | 112.4° | 117.0° |
| C4 | C12 | C13 | 122.6° | 117.0° |
| C12 | C13 | C14 | 123.5° | 120.0° |
| C12 | C13 | C18 | 114.9° | 120.0° |
| C13 | C14 | C15 | 117.5° | 120.0° |
| C14 | C13 | C18 | 121.2° | 120.0° |
| C13 | C14 | H14 | 121.2° | 120.1° |
| C14 | C15 | C16 | 125.5° | 120.1° |
| C14 | C15 | H15 | 117.2° | 120.0° |
| C15 | C14 | H14 | 121.2° | 120.0° |
| C15 | C16 | C17 | 116.7° | 120.0° |
| C15 | C16 | C19 | 124.4° | 120.0° |
| C16 | C15 | H15 | 117.3° | 120.0° |
| C16 | C17 | C18 | 117.1° | 120.0° |
| C17 | C16 | C19 | 118.9° | 120.0° |
| C16 | C17 | H16 | 121.4° | 120.0° |
| C17 | C18 | C13 | 121.9° | 120.0° |
| C18 | C17 | H16 | 121.4° | 120.0° |
| C17 | C18 | H17 | 119.1° | 120.0° |
| C13 | C18 | H17 | 119.0° | 120.0° |
| C16 | C19 | C20 | 122.1° | 120.1° |
| C16 | C19 | C31 | 120.0° | 120.1° |
| C19 | C20 | C21 | 120.6° | 119.8° |
| C20 | C19 | C31 | 117.6° | 119.8° |
| C19 | C20 | H18 | 119.7° | 120.1° |
| C20 | C21 | N5 | 123.3° | 120.0° |
| C20 | C21 | C29 | 117.7° | 120.0° |
| C21 | C20 | H18 | 119.7° | 120.1° |
| C21 | N5 | C22 | 130.9° | 120.0° |
| N5 | C21 | C29 | 118.9° | 120.0° |
| C21 | N5 | H19 | 114.5° | 120.0° |
| N5 | C22 | O1 | 123.0° | 120.0° |
| N5 | C22 | C23 | 117.7° | 120.0° |
| C22 | N5 | H19 | 114.6° | 120.0° |
| O1 | C22 | C23 | 119.2° | 120.0° |
| C22 | C23 | C24 | 129.5° | 126.6° |
| C22 | C23 | C28 | 125.0° | 126.5° |
| C23 | C24 | N6 | 130.3° | 132.4° |
| C23 | C24 | N7 | 105.8° | 106.7° |
| C24 | C23 | C28 | 105.4° | 106.9° |
| C24 | N6 | C25 | 115.4° | 120.8° |
| N6 | C24 | N7 | 123.9° | 120.8° |
| N6 | C25 | C26 | 122.0° | 120.2° |
| N6 | C25 | H20 | 119.1° | 119.9° |
| C25 | C26 | C27 | 121.3° | 119.3° |
| C25 | C26 | H21 | 119.3° | 120.4° |
| C26 | C25 | H20 | 119.0° | 119.9° |
| C26 | C27 | N7 | 118.4° | 119.1° |
| C27 | C26 | H21 | 119.4° | 120.3° |
| C26 | C27 | H22 | 120.8° | 120.4° |
| C27 | N7 | C24 | 119.0° | 119.8° |
| C27 | N7 | N8 | 128.8° | 132.1° |
| N7 | C27 | H22 | 120.8° | 120.5° |
| C24 | N7 | N8 | 112.2° | 108.1° |
| N7 | N8 | C28 | 103.8° | 109.5° |
| N8 | C28 | C23 | 112.7° | 108.7° |
| N8 | C28 | H23 | 123.7° | 125.7° |
| C23 | C28 | H23 | 123.7° | 125.6° |
| C21 | C29 | C30 | 120.4° | 120.2° |
| C21 | C29 | H24 | 119.8° | 119.9° |
| C29 | C30 | C31 | 122.4° | 120.2° |
| C30 | C29 | H24 | 119.8° | 119.9° |
| C29 | C30 | H25 | 118.8° | 119.9° |
| C30 | C31 | C19 | 121.1° | 120.0° |
| C31 | C30 | H25 | 118.8° | 119.9° |
| C30 | C31 | H26 | 119.4° | 120.0° |
| C19 | C31 | H26 | 119.4° | 119.9° |
| H12 | N3 | H13 | 120.0° | 120.1° |
| H7 | C7 | H8 | 109.5° | 109.6° |
| H7 | C7 | H9 | 109.5° | 109.4° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.4° |
| H4 | C3 | H5 | 109.4° | 109.5° |
| H4 | C3 | H6 | 109.5° | 109.4° |
| H5 | C3 | H6 | 109.5° | 109.4° |
| H1 | C | H2 | 109.5° | 109.5° |
| H1 | C | H3 | 109.5° | 109.5° |
| H2 | C | H3 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | S | 178.5° | 180.0° |
| C | C1 | C2 | C3 | 1.4° | 0.2° |
| C | C1 | C2 | C4 | 178.0° | 179.7° |
| C | C1 | S | C5 | 179.3° | 179.0° |
| C1 | C | H1 | H2 | 120.0° | 119.9° |
| C1 | C | H1 | H3 | 120.0° | 120.0° |
| C1 | C | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | C4 | 176.2° | 179.9° |
| C1 | C2 | C4 | C5 | 1.7° | 1.9° |
| C2 | C1 | S | C5 | 0.7° | 1.0° |
| C1 | C2 | C4 | C12 | 166.4° | 177.4° |
| C1 | C2 | C3 | H4 | 91.8° | 94.8° |
| C1 | C2 | C3 | H5 | 148.2° | 25.3° |
| C1 | C2 | C3 | H6 | 28.2° | 145.2° |
| C2 | C1 | C | H1 | 178.4° | 90.0° |
| C2 | C1 | C | H2 | 61.6° | 150.0° |
| C2 | C1 | C | H3 | 58.4° | 30.0° |
| C3 | C2 | C4 | C5 | 178.2° | 178.2° |
| C3 | C2 | C1 | S | 177.1° | 179.7° |
| C3 | C2 | C4 | C12 | 17.1° | 2.5° |
| C2 | C3 | H4 | H5 | 120.0° | 120.1° |
| C2 | C3 | H4 | H6 | 120.0° | 120.0° |
| C2 | C3 | H5 | H6 | 120.0° | 120.0° |
| C2 | C4 | C5 | C12 | 166.7° | 179.3° |
| C2 | C4 | C5 | S | 2.3° | 2.6° |
| C4 | C2 | C1 | S | 0.5° | 0.3° |
| C2 | C4 | C5 | N | 179.1° | 176.9° |
| C2 | C4 | C12 | N4 | 142.1° | 143.1° |
| C2 | C4 | C12 | C13 | 28.5° | 36.9° |
| C4 | C2 | C3 | H4 | 92.0° | 85.1° |
| C4 | C2 | C3 | H5 | 28.0° | 154.8° |
| C4 | C2 | C3 | H6 | 148.0° | 34.8° |
| C4 | C5 | S | N | 178.7° | 179.4° |
| C4 | C5 | S | C1 | 1.6° | 2.0° |
| C4 | C5 | N | C6 | 153.7° | 146.6° |
| C4 | C5 | N | C8 | 39.8° | 33.7° |
| C5 | C4 | C12 | N4 | 54.0° | 37.7° |
| C5 | C4 | C12 | C13 | 135.4° | 142.3° |
| S | C5 | N | C6 | 27.7° | 34.0° |
| S | C5 | N | C8 | 138.7° | 145.7° |
| S | C5 | C4 | C12 | 169.0° | 176.7° |
| C1 | S | C5 | N | 179.7° | 177.4° |
| S | C1 | C | H1 | 0.0° | 90.0° |
| S | C1 | C | H2 | 120.0° | 29.9° |
| S | C1 | C | H3 | 120.0° | 150.0° |
| C5 | N | C6 | C8 | 168.0° | 179.7° |
| C5 | N | C6 | C7 | 15.8° | 0.8° |
| C5 | N | C6 | N1 | 169.9° | 179.1° |
| C5 | N | C8 | N2 | 170.6° | 179.0° |
| C5 | N | C8 | C9 | 10.0° | 1.1° |
| N | C5 | C4 | C12 | 12.4° | 3.9° |
| N | C6 | C7 | N1 | 173.3° | 179.9° |
| N | C6 | N1 | N2 | 2.3° | 0.3° |
| C6 | N | C8 | N2 | 0.9° | 0.8° |
| C6 | N | C8 | C9 | 179.7° | 179.2° |
| N | C6 | C7 | H7 | 173.3° | 90.0° |
| N | C6 | C7 | H8 | 53.3° | 30.1° |
| N | C6 | C7 | H9 | 66.7° | 150.1° |
| C7 | C6 | N1 | N2 | 176.3° | 179.8° |
| C7 | C6 | N | C8 | 176.3° | 179.4° |
| C6 | C7 | H7 | H8 | 120.0° | 120.1° |
| C6 | C7 | H7 | H9 | 120.0° | 119.9° |
| C6 | C7 | H8 | H9 | 120.0° | 119.9° |
| C6 | N1 | N2 | C8 | 1.6° | 0.2° |
| N1 | C6 | N | C8 | 2.0° | 0.6° |
| N1 | C6 | C7 | H7 | 0.0° | 89.9° |
| N1 | C6 | C7 | H8 | 120.0° | 150.0° |
| N1 | C6 | C7 | H9 | 120.0° | 30.0° |
| N1 | N2 | C8 | N | 0.4° | 0.6° |
| N1 | N2 | C8 | C9 | 178.9° | 179.3° |
| N2 | C8 | N | C9 | 179.4° | 179.9° |
| N2 | C8 | C9 | C10 | 9.1° | 119.9° |
| N2 | C8 | C9 | N4 | 118.7° | 120.2° |
| N2 | C8 | C9 | H | 126.7° | 0.3° |
| N | C8 | C9 | C10 | 171.6° | 60.2° |
| N | C8 | C9 | N4 | 60.7° | 59.7° |
| N | C8 | C9 | H | 54.0° | 179.6° |
| C8 | C9 | C10 | N4 | 124.0° | 119.6° |
| C8 | C9 | C10 | H | 118.2° | 120.2° |
| C8 | C9 | C10 | C11 | 164.7° | 175.0° |
| C8 | C9 | N4 | H | 114.9° | 119.9° |
| C8 | C9 | N4 | C12 | 69.8° | 62.4° |
| C8 | C9 | C10 | H10 | 74.8° | 65.0° |
| C8 | C9 | C10 | H11 | 44.3° | 55.0° |
| C9 | C10 | C11 | H10 | 120.4° | 120.0° |
| C9 | C10 | C11 | H11 | 120.4° | 120.0° |
| C9 | C10 | C11 | O | 5.0° | 0.1° |
| C9 | C10 | C11 | N3 | 171.0° | 180.0° |
| C10 | C9 | N4 | H | 117.2° | 120.2° |
| C10 | C9 | N4 | C12 | 162.3° | 57.5° |
| C9 | C10 | H10 | H11 | 118.7° | 120.1° |
| C10 | C11 | O | N3 | 175.7° | 179.9° |
| C11 | C10 | C9 | N4 | 71.2° | 65.4° |
| C10 | C11 | N3 | H12 | 175.8° | 0.0° |
| C10 | C11 | N3 | H13 | 4.2° | 180.0° |
| C11 | C10 | H10 | H11 | 118.7° | 119.9° |
| C11 | C10 | C9 | H | 46.5° | 54.8° |
| O | C11 | N3 | H12 | 0.0° | 179.9° |
| O | C11 | N3 | H13 | 180.0° | 0.1° |
| O | C11 | C10 | H10 | 125.4° | 120.0° |
| O | C11 | C10 | H11 | 115.5° | 120.1° |
| C11 | N3 | H12 | H13 | 180.0° | 180.0° |
| N3 | C11 | C10 | H10 | 50.6° | 60.0° |
| N3 | C11 | C10 | H11 | 68.5° | 60.0° |
| C9 | N4 | C12 | C4 | 2.3° | 4.6° |
| C9 | N4 | C12 | C13 | 173.7° | 175.4° |
| N4 | C9 | C10 | H10 | 49.2° | 54.6° |
| N4 | C9 | C10 | H11 | 168.3° | 174.6° |
| N4 | C12 | C4 | C13 | 170.6° | 180.0° |
| N4 | C12 | C13 | C14 | 26.3° | 34.8° |
| N4 | C12 | C13 | C18 | 146.6° | 144.9° |
| C12 | N4 | C9 | H | 45.1° | 177.7° |
| C4 | C12 | C13 | C14 | 145.4° | 145.2° |
| C4 | C12 | C13 | C18 | 41.8° | 35.0° |
| C12 | C13 | C14 | C18 | 172.4° | 179.7° |
| C12 | C13 | C14 | C15 | 170.0° | 179.7° |
| C12 | C13 | C18 | C17 | 172.4° | 179.7° |
| C12 | C13 | C14 | H14 | 10.0° | 0.3° |
| C12 | C13 | C18 | H17 | 7.6° | 0.3° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 2.2° | 0.0° |
| C14 | C13 | C18 | C17 | 0.6° | 0.0° |
| C13 | C14 | C15 | H15 | 177.7° | 180.0° |
| C14 | C13 | C18 | H17 | 179.4° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C15 | C14 | C13 | C18 | 2.4° | 0.0° |
| C14 | C15 | C16 | C19 | 177.5° | 179.9° |
| C15 | C16 | C17 | C19 | 177.5° | 179.9° |
| C15 | C16 | C17 | C18 | 1.6° | 0.0° |
| C15 | C16 | C19 | C20 | 179.9° | 180.0° |
| C15 | C16 | C19 | C31 | 5.2° | 0.6° |
| C15 | C16 | C17 | H16 | 178.4° | 180.0° |
| C16 | C15 | C14 | H14 | 177.8° | 180.0° |
| C16 | C17 | C18 | H16 | 180.0° | 180.0° |
| C16 | C17 | C18 | C13 | 1.5° | 0.0° |
| C17 | C16 | C19 | C20 | 2.6° | 0.1° |
| C17 | C16 | C19 | C31 | 172.1° | 179.5° |
| C17 | C16 | C15 | H15 | 179.8° | 180.0° |
| C16 | C17 | C18 | H17 | 178.5° | 180.0° |
| C17 | C18 | C13 | H17 | 180.0° | 180.0° |
| C18 | C17 | C16 | C19 | 175.9° | 179.9° |
| C13 | C18 | C17 | H16 | 178.6° | 180.0° |
| C18 | C13 | C14 | H14 | 177.6° | 180.0° |
| C16 | C19 | C20 | C31 | 174.8° | 179.4° |
| C16 | C19 | C20 | C21 | 173.2° | 179.9° |
| C16 | C19 | C31 | C30 | 175.5° | 180.0° |
| C19 | C16 | C15 | H15 | 2.4° | 0.1° |
| C19 | C16 | C17 | H16 | 4.1° | 0.1° |
| C16 | C19 | C20 | H18 | 6.8° | 0.3° |
| C16 | C19 | C31 | H26 | 4.5° | 0.3° |
| C19 | C20 | C21 | H18 | 180.0° | 179.8° |
| C19 | C20 | C21 | N5 | 178.6° | 179.7° |
| C19 | C20 | C21 | C29 | 1.2° | 0.3° |
| C20 | C19 | C31 | C30 | 0.5° | 0.6° |
| C20 | C19 | C31 | H26 | 179.5° | 179.7° |
| C20 | C21 | N5 | C29 | 179.7° | 179.9° |
| C20 | C21 | N5 | C22 | 6.9° | 34.7° |
| C20 | C21 | C29 | C30 | 1.5° | 0.0° |
| C21 | C20 | C19 | C31 | 1.6° | 0.5° |
| C20 | C21 | N5 | H19 | 173.1° | 145.3° |
| C20 | C21 | C29 | H24 | 178.5° | 180.0° |
| C21 | N5 | C22 | H19 | 180.0° | 180.0° |
| C21 | N5 | C22 | O1 | 2.4° | 5.4° |
| C21 | N5 | C22 | C23 | 180.0° | 174.6° |
| N5 | C21 | C29 | C30 | 178.7° | 180.0° |
| N5 | C21 | C20 | H18 | 1.4° | 0.1° |
| N5 | C21 | C29 | H24 | 1.3° | 0.1° |
| N5 | C22 | O1 | C23 | 177.6° | 179.9° |
| N5 | C22 | C23 | C24 | 3.9° | 180.0° |
| N5 | C22 | C23 | C28 | 172.8° | 0.0° |
| C22 | N5 | C21 | C29 | 173.4° | 145.2° |
| O1 | C22 | C23 | C24 | 173.8° | 0.1° |
| O1 | C22 | C23 | C28 | 9.5° | 180.0° |
| O1 | C22 | N5 | H19 | 177.6° | 174.6° |
| C22 | C23 | C24 | C28 | 177.2° | 180.0° |
| C22 | C23 | C24 | N6 | 4.0° | 0.1° |
| C22 | C23 | C24 | N7 | 174.4° | 179.7° |
| C22 | C23 | C28 | N8 | 175.1° | 179.8° |
| C22 | C23 | C28 | H23 | 4.9° | 0.1° |
| C23 | C22 | N5 | H19 | 0.0° | 5.4° |
| C23 | C24 | N6 | N7 | 178.1° | 179.6° |
| C23 | C24 | N6 | C25 | 177.3° | 179.6° |
| C23 | C24 | N7 | C27 | 177.7° | 179.7° |
| C23 | C24 | N7 | N8 | 2.6° | 0.3° |
| C24 | C23 | C28 | N8 | 2.3° | 0.2° |
| C24 | C23 | C28 | H23 | 177.7° | 180.0° |
| C24 | N6 | C25 | C26 | 0.6° | 0.0° |
| N6 | C24 | N7 | C27 | 0.8° | 0.0° |
| N6 | C24 | N7 | N8 | 178.9° | 180.0° |
| N6 | C24 | C23 | C28 | 178.8° | 179.9° |
| C24 | N6 | C25 | H20 | 179.4° | 180.0° |
| N6 | C25 | C26 | H20 | 180.0° | 180.0° |
| N6 | C25 | C26 | C27 | 0.5° | 0.0° |
| C25 | N6 | C24 | N7 | 0.7° | 0.1° |
| N6 | C25 | C26 | H21 | 179.5° | 180.0° |
| C25 | C26 | C27 | H21 | 180.0° | 179.9° |
| C25 | C26 | C27 | N7 | 0.5° | 0.0° |
| C25 | C26 | C27 | H22 | 179.5° | 180.0° |
| C26 | C27 | N7 | H22 | 180.0° | 179.9° |
| C26 | C27 | N7 | C24 | 0.6° | 0.0° |
| C26 | C27 | N7 | N8 | 179.0° | 180.0° |
| C27 | C26 | C25 | H20 | 179.5° | 180.0° |
| C27 | N7 | C24 | N8 | 179.7° | 180.0° |
| C27 | N7 | N8 | C28 | 179.1° | 179.9° |
| N7 | C27 | C26 | H21 | 179.5° | 180.0° |
| C24 | N7 | N8 | C28 | 1.2° | 0.2° |
| N7 | C24 | C23 | C28 | 2.8° | 0.3° |
| C24 | N7 | C27 | H22 | 179.4° | 179.9° |
| N7 | N8 | C28 | C23 | 0.7° | 0.0° |
| N7 | N8 | C28 | H23 | 179.3° | 179.8° |
| N8 | N7 | C27 | H22 | 1.0° | 0.0° |
| N8 | C28 | C23 | H23 | 180.0° | 179.8° |
| C21 | C29 | C30 | H24 | 180.0° | 180.0° |
| C21 | C29 | C30 | C31 | 3.8° | 0.0° |
| C29 | C21 | C20 | H18 | 178.8° | 180.0° |
| C29 | C21 | N5 | H19 | 6.6° | 34.8° |
| C21 | C29 | C30 | H25 | 176.2° | 180.0° |
| C29 | C30 | C31 | H25 | 180.0° | 180.0° |
| C29 | C30 | C31 | C19 | 3.3° | 0.3° |
| C29 | C30 | C31 | H26 | 176.6° | 180.0° |
| C30 | C31 | C19 | H26 | 180.0° | 179.8° |
| C31 | C30 | C29 | H24 | 176.2° | 180.0° |
| C31 | C19 | C20 | H18 | 178.4° | 179.7° |
| C19 | C31 | C30 | H25 | 176.7° | 179.7° |
| H7 | C7 | H8 | H9 | 120.0° | 120.0° |
| H10 | C10 | C9 | H | 166.9° | 174.8° |
| H11 | C10 | C9 | H | 73.9° | 65.2° |
| H15 | C15 | C14 | H14 | 2.2° | 0.0° |
| H16 | C17 | C18 | H17 | 1.4° | 0.0° |
| H21 | C26 | C27 | H22 | 0.5° | 0.1° |
| H21 | C26 | C25 | H20 | 0.5° | 0.1° |
| H24 | C29 | C30 | H25 | 3.8° | 0.0° |
| H25 | C30 | C31 | H26 | 3.4° | 0.0° |
| H4 | C3 | H5 | H6 | 120.0° | 119.9° |
| H1 | C | H2 | H3 | 120.0° | 120.0° |
