E4Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | N3 | sing | 1.40Å | 1.36Å | Aromatic |
| N2 | C9 | sing | 1.35Å | 1.40Å | Aromatic |
| N3 | C7 | doub | 1.31Å | 1.31Å | Aromatic |
| C11 | C9 | sing | 1.51Å | 1.49Å | |
| O1 | C33 | doub | 1.22Å | 1.21Å | |
| C9 | C8 | doub | 1.37Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.41Å | 1.43Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.49Å | |
| S | C6 | sing | 1.81Å | 1.82Å | |
| S | C5 | sing | 1.81Å | 1.81Å | |
| C8 | C12 | sing | 1.48Å | 1.49Å | |
| C33 | O2 | sing | 1.35Å | 1.31Å | |
| C33 | C18 | sing | 1.47Å | 1.47Å | |
| N4 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| N4 | C17 | sing | 1.37Å | 1.38Å | Aromatic |
| C5 | C3 | sing | 1.51Å | 1.49Å | |
| C18 | C19 | doub | 1.36Å | 1.38Å | Aromatic |
| C12 | C17 | doub | 1.40Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.41Å | 1.41Å | Aromatic |
| C3 | N | doub | 1.31Å | 1.32Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| N | N1 | sing | 1.40Å | 1.36Å | Aromatic |
| C19 | C16 | sing | 1.42Å | 1.44Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | C1 | doub | 1.35Å | 1.36Å | Aromatic |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| N1 | C1 | sing | 1.35Å | 1.36Å | Aromatic |
| N1 | C4 | sing | 1.46Å | 1.46Å | |
| C14 | C15 | sing | 1.37Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C1 | C | sing | 1.51Å | 1.49Å | |
| C22 | O | sing | 1.43Å | 1.44Å | |
| O | C23 | sing | 1.36Å | 1.37Å | |
| C23 | C24 | doub | 1.37Å | 1.38Å | Aromatic |
| C23 | C28 | sing | 1.41Å | 1.43Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | C28 | doub | 1.40Å | 1.42Å | Aromatic |
| C29 | C30 | sing | 1.36Å | 1.37Å | Aromatic |
| C28 | C27 | sing | 1.42Å | 1.43Å | Aromatic |
| C25 | C26 | doub | 1.36Å | 1.37Å | Aromatic |
| C30 | C31 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.41Å | 1.42Å | Aromatic |
| C27 | C32 | doub | 1.40Å | 1.42Å | Aromatic |
| C31 | C32 | sing | 1.36Å | 1.37Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.08Å | 1.08Å | |
| C30 | H18 | sing | 1.08Å | 1.08Å | |
| C31 | H19 | sing | 1.08Å | 1.08Å | |
| C32 | H20 | sing | 1.08Å | 1.08Å | |
| O2 | H21 | sing | 0.97Å | 0.95Å | |
| C29 | H22 | sing | 1.08Å | 1.08Å | |
| C26 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| N4 | H25 | sing | 0.97Å | 1.00Å | |
| C6 | H26 | sing | 1.09Å | 1.10Å | |
| C6 | H27 | sing | 1.09Å | 1.10Å | |
| C5 | H28 | sing | 1.09Å | 1.10Å | |
| C5 | H29 | sing | 1.09Å | 1.10Å | |
| C4 | H30 | sing | 1.09Å | 1.10Å | |
| C4 | H31 | sing | 1.09Å | 1.10Å | |
| C4 | H32 | sing | 1.09Å | 1.10Å | |
| C | H33 | sing | 1.09Å | 1.10Å | |
| C | H34 | sing | 1.09Å | 1.10Å | |
| C | H35 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | N2 | N3 | 118.9° | 125.9° |
| C10 | N2 | C9 | 129.7° | 125.9° |
| N2 | C10 | H2 | 109.5° | 109.4° |
| N2 | C10 | H3 | 109.5° | 109.5° |
| N2 | C10 | H4 | 109.5° | 109.4° |
| N3 | N2 | C9 | 111.4° | 108.2° |
| N2 | N3 | C7 | 106.5° | 108.5° |
| N2 | C9 | C11 | 124.9° | 126.2° |
| N2 | C9 | C8 | 105.5° | 107.6° |
| N3 | C7 | C8 | 111.0° | 108.1° |
| N3 | C7 | C6 | 121.2° | 126.0° |
| C11 | C9 | C8 | 129.6° | 126.2° |
| C9 | C11 | H5 | 109.5° | 109.5° |
| C9 | C11 | H6 | 109.5° | 109.5° |
| C9 | C11 | H7 | 109.5° | 109.5° |
| O1 | C33 | O2 | 122.3° | 120.0° |
| O1 | C33 | C18 | 121.2° | 120.0° |
| C9 | C8 | C7 | 105.6° | 107.6° |
| C9 | C8 | C12 | 125.6° | 126.2° |
| C8 | C7 | C6 | 127.7° | 125.9° |
| C7 | C8 | C12 | 128.8° | 126.2° |
| C7 | C6 | S | 111.5° | 109.5° |
| C7 | C6 | H26 | 109.0° | 109.5° |
| C7 | C6 | H27 | 109.0° | 109.5° |
| C6 | S | C5 | 99.5° | 103.0° |
| S | C6 | H26 | 109.0° | 109.5° |
| S | C6 | H27 | 108.9° | 109.5° |
| S | C5 | C3 | 113.3° | 109.5° |
| S | C5 | H28 | 108.5° | 109.4° |
| S | C5 | H29 | 108.5° | 109.4° |
| C8 | C12 | C17 | 120.2° | 120.3° |
| C8 | C12 | C13 | 120.5° | 120.2° |
| O2 | C33 | C18 | 116.5° | 120.0° |
| C33 | O2 | H21 | 109.5° | 117.1° |
| C33 | C18 | N4 | 117.3° | 125.5° |
| C33 | C18 | C19 | 132.9° | 125.4° |
| C18 | N4 | C17 | 108.5° | 108.8° |
| N4 | C18 | C19 | 109.8° | 109.1° |
| C18 | N4 | H25 | 125.8° | 125.5° |
| N4 | C17 | C12 | 131.2° | 133.1° |
| N4 | C17 | C16 | 108.5° | 107.5° |
| C17 | N4 | H25 | 125.8° | 125.7° |
| C5 | C3 | N | 123.7° | 125.9° |
| C5 | C3 | C2 | 124.9° | 125.9° |
| C3 | C5 | H28 | 108.5° | 109.5° |
| C3 | C5 | H29 | 108.5° | 109.5° |
| C18 | C19 | C16 | 106.8° | 107.7° |
| C18 | C19 | C20 | 127.1° | 126.2° |
| C17 | C12 | C13 | 119.2° | 119.5° |
| C12 | C17 | C16 | 120.2° | 119.4° |
| C12 | C13 | C14 | 120.2° | 120.6° |
| C12 | C13 | H8 | 119.9° | 119.7° |
| C17 | C16 | C19 | 106.4° | 107.0° |
| C17 | C16 | C15 | 119.4° | 119.7° |
| N | C3 | C2 | 111.1° | 108.2° |
| C3 | N | N1 | 104.5° | 108.2° |
| C3 | C2 | C1 | 106.2° | 107.9° |
| C3 | C2 | H1 | 126.9° | 126.0° |
| N | N1 | C1 | 112.3° | 107.9° |
| N | N1 | C4 | 118.9° | 126.0° |
| C16 | C19 | C20 | 125.8° | 126.1° |
| C19 | C16 | C15 | 134.2° | 133.3° |
| C19 | C20 | C21 | 114.8° | 109.5° |
| C19 | C20 | H11 | 108.1° | 109.5° |
| C19 | C20 | H12 | 108.2° | 109.5° |
| C13 | C14 | C15 | 120.9° | 120.7° |
| C14 | C13 | H8 | 119.9° | 119.7° |
| C13 | C14 | H9 | 119.6° | 119.6° |
| C16 | C15 | C14 | 120.2° | 120.1° |
| C16 | C15 | H10 | 119.9° | 120.0° |
| C2 | C1 | N1 | 105.9° | 107.7° |
| C2 | C1 | C | 131.0° | 126.2° |
| C1 | C2 | H1 | 126.9° | 126.0° |
| C20 | C21 | C22 | 112.6° | 109.5° |
| C21 | C20 | H11 | 108.2° | 109.5° |
| C21 | C20 | H12 | 108.1° | 109.5° |
| C20 | C21 | H13 | 108.7° | 109.5° |
| C20 | C21 | H14 | 108.7° | 109.5° |
| C1 | N1 | C4 | 128.8° | 126.1° |
| N1 | C1 | C | 123.1° | 126.1° |
| N1 | C4 | H30 | 109.5° | 109.5° |
| N1 | C4 | H31 | 109.5° | 109.4° |
| N1 | C4 | H32 | 109.5° | 109.4° |
| C15 | C14 | H9 | 119.6° | 119.7° |
| C14 | C15 | H10 | 119.9° | 120.0° |
| C21 | C22 | O | 108.8° | 109.5° |
| C22 | C21 | H13 | 108.7° | 109.5° |
| C22 | C21 | H14 | 108.7° | 109.5° |
| C21 | C22 | H15 | 109.6° | 109.4° |
| C21 | C22 | H16 | 109.6° | 109.4° |
| C1 | C | H33 | 109.5° | 109.5° |
| C1 | C | H34 | 109.5° | 109.5° |
| C1 | C | H35 | 109.5° | 109.5° |
| C22 | O | C23 | 118.1° | 117.0° |
| O | C22 | H15 | 109.7° | 109.5° |
| O | C22 | H16 | 109.7° | 109.5° |
| O | C23 | C24 | 124.3° | 120.2° |
| O | C23 | C28 | 114.7° | 120.2° |
| C24 | C23 | C28 | 121.0° | 119.5° |
| C23 | C24 | C25 | 119.9° | 121.0° |
| C23 | C24 | H17 | 120.1° | 119.5° |
| C23 | C28 | C29 | 123.6° | 121.3° |
| C23 | C28 | C27 | 118.3° | 119.3° |
| C24 | C25 | C26 | 121.4° | 121.0° |
| C25 | C24 | H17 | 120.1° | 119.5° |
| C24 | C25 | H24 | 119.3° | 119.5° |
| C28 | C29 | C30 | 120.9° | 119.6° |
| C29 | C28 | C27 | 118.2° | 119.4° |
| C28 | C29 | H22 | 119.5° | 120.2° |
| C29 | C30 | C31 | 120.7° | 121.0° |
| C29 | C30 | H18 | 119.7° | 119.5° |
| C30 | C29 | H22 | 119.5° | 120.2° |
| C28 | C27 | C26 | 118.9° | 119.4° |
| C28 | C27 | C32 | 118.9° | 119.3° |
| C25 | C26 | C27 | 120.7° | 119.8° |
| C25 | C26 | H23 | 119.7° | 120.1° |
| C26 | C25 | H24 | 119.3° | 119.5° |
| C30 | C31 | C32 | 120.5° | 120.9° |
| C31 | C30 | H18 | 119.7° | 119.5° |
| C30 | C31 | H19 | 119.7° | 119.5° |
| C26 | C27 | C32 | 122.2° | 121.3° |
| C27 | C26 | H23 | 119.7° | 120.1° |
| C27 | C32 | C31 | 120.7° | 119.7° |
| C27 | C32 | H20 | 119.7° | 120.1° |
| C32 | C31 | H19 | 119.7° | 119.5° |
| C31 | C32 | H20 | 119.6° | 120.2° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H2 | C10 | H4 | 109.5° | 109.5° |
| H3 | C10 | H4 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.4° | 109.5° |
| H5 | C11 | H7 | 109.5° | 109.4° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H11 | C20 | H12 | 109.5° | 109.4° |
| H13 | C21 | H14 | 109.5° | 109.4° |
| H15 | C22 | H16 | 109.5° | 109.5° |
| H26 | C6 | H27 | 109.4° | 109.5° |
| H28 | C5 | H29 | 109.5° | 109.4° |
| H30 | C4 | H31 | 109.4° | 109.5° |
| H30 | C4 | H32 | 109.5° | 109.5° |
| H31 | C4 | H32 | 109.5° | 109.5° |
| H33 | C | H34 | 109.5° | 109.4° |
| H33 | C | H35 | 109.5° | 109.5° |
| H34 | C | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | N2 | N3 | C9 | 178.5° | 179.6° |
| C10 | N2 | N3 | C7 | 178.9° | 180.0° |
| C10 | N2 | C9 | C11 | 1.6° | 0.1° |
| C10 | N2 | C9 | C8 | 178.9° | 179.8° |
| N2 | C10 | H2 | H3 | 120.0° | 120.0° |
| N2 | C10 | H2 | H4 | 120.0° | 120.0° |
| N2 | C10 | H3 | H4 | 120.0° | 120.0° |
| N3 | N2 | C9 | C11 | 179.9° | 179.7° |
| N3 | N2 | C9 | C8 | 0.6° | 0.2° |
| N2 | N3 | C7 | C8 | 0.0° | 0.4° |
| N2 | N3 | C7 | C6 | 177.1° | 179.8° |
| N3 | N2 | C10 | H2 | 0.0° | 90.0° |
| N3 | N2 | C10 | H3 | 120.0° | 150.0° |
| N3 | N2 | C10 | H4 | 120.0° | 30.0° |
| C9 | N2 | N3 | C7 | 0.4° | 0.4° |
| N2 | C9 | C11 | C8 | 179.4° | 179.9° |
| N2 | C9 | C8 | C7 | 0.5° | 0.0° |
| N2 | C9 | C8 | C12 | 179.2° | 180.0° |
| C9 | N2 | C10 | H2 | 178.2° | 90.4° |
| C9 | N2 | C10 | H3 | 61.8° | 29.6° |
| C9 | N2 | C10 | H4 | 58.2° | 149.6° |
| N2 | C9 | C11 | H5 | 89.7° | 89.9° |
| N2 | C9 | C11 | H6 | 150.3° | 30.1° |
| N2 | C9 | C11 | H7 | 30.3° | 150.1° |
| N3 | C7 | C8 | C9 | 0.3° | 0.3° |
| N3 | C7 | C8 | C6 | 176.8° | 179.8° |
| N3 | C7 | C6 | S | 72.4° | 90.3° |
| N3 | C7 | C8 | C12 | 179.0° | 179.8° |
| N3 | C7 | C6 | H26 | 167.3° | 29.7° |
| N3 | C7 | C6 | H27 | 47.9° | 149.7° |
| C11 | C9 | C8 | C7 | 180.0° | 179.9° |
| C11 | C9 | C8 | C12 | 1.3° | 0.1° |
| C9 | C11 | H5 | H6 | 120.0° | 120.0° |
| C9 | C11 | H5 | H7 | 120.0° | 120.0° |
| C9 | C11 | H6 | H7 | 120.0° | 120.0° |
| O1 | C33 | O2 | C18 | 176.6° | 180.0° |
| O1 | C33 | C18 | N4 | 14.7° | 179.9° |
| O1 | C33 | C18 | C19 | 169.0° | 0.0° |
| O1 | C33 | O2 | H21 | 0.0° | 0.0° |
| C9 | C8 | C7 | C12 | 178.6° | 180.0° |
| C9 | C8 | C7 | C6 | 176.5° | 179.9° |
| C9 | C8 | C12 | C17 | 66.1° | 90.0° |
| C9 | C8 | C12 | C13 | 110.2° | 89.7° |
| C8 | C9 | C11 | H5 | 89.6° | 89.9° |
| C8 | C9 | C11 | H6 | 30.4° | 150.0° |
| C8 | C9 | C11 | H7 | 150.3° | 30.0° |
| C8 | C7 | C6 | S | 104.1° | 90.0° |
| C7 | C8 | C12 | C17 | 112.3° | 90.0° |
| C7 | C8 | C12 | C13 | 71.4° | 90.3° |
| C8 | C7 | C6 | H26 | 16.2° | 150.0° |
| C8 | C7 | C6 | H27 | 135.6° | 30.0° |
| C7 | C6 | S | H26 | 120.3° | 120.0° |
| C7 | C6 | S | H27 | 120.3° | 120.0° |
| C7 | C6 | S | C5 | 86.5° | 180.0° |
| C6 | C7 | C8 | C12 | 2.1° | 0.0° |
| C7 | C6 | H26 | H27 | 119.1° | 120.0° |
| C6 | S | C5 | C3 | 75.7° | 180.0° |
| S | C6 | H26 | H27 | 119.0° | 120.0° |
| C6 | S | C5 | H28 | 163.7° | 60.0° |
| C6 | S | C5 | H29 | 44.8° | 60.0° |
| S | C5 | C3 | H28 | 120.5° | 120.0° |
| S | C5 | C3 | H29 | 120.5° | 120.0° |
| S | C5 | C3 | N | 60.1° | 90.0° |
| S | C5 | C3 | C2 | 113.3° | 89.8° |
| C5 | S | C6 | H26 | 33.8° | 60.0° |
| C5 | S | C6 | H27 | 153.1° | 60.0° |
| S | C5 | H28 | H29 | 118.3° | 119.9° |
| C8 | C12 | C17 | N4 | 1.0° | 0.8° |
| C8 | C12 | C17 | C13 | 176.4° | 179.7° |
| C8 | C12 | C17 | C16 | 176.5° | 179.7° |
| C8 | C12 | C13 | C14 | 176.7° | 180.0° |
| C8 | C12 | C13 | H8 | 3.3° | 0.0° |
| O2 | C33 | C18 | N4 | 168.7° | 0.1° |
| O2 | C33 | C18 | C19 | 7.7° | 180.0° |
| C33 | C18 | N4 | C19 | 177.2° | 179.9° |
| C33 | C18 | N4 | C17 | 176.7° | 179.7° |
| C33 | C18 | C19 | C16 | 176.2° | 179.9° |
| C33 | C18 | C19 | C20 | 9.8° | 0.0° |
| C18 | C33 | O2 | H21 | 176.6° | 180.0° |
| C33 | C18 | N4 | H25 | 3.3° | 0.1° |
| C18 | N4 | C17 | H25 | 180.0° | 179.7° |
| C18 | N4 | C17 | C12 | 178.0° | 179.4° |
| C18 | N4 | C17 | C16 | 0.3° | 0.4° |
| N4 | C18 | C19 | C16 | 0.3° | 0.0° |
| N4 | C18 | C19 | C20 | 173.7° | 179.9° |
| C17 | N4 | C18 | C19 | 0.4° | 0.2° |
| N4 | C17 | C12 | C16 | 177.5° | 178.9° |
| N4 | C17 | C12 | C13 | 177.4° | 179.5° |
| N4 | C17 | C16 | C19 | 0.2° | 0.4° |
| N4 | C17 | C16 | C15 | 178.2° | 179.8° |
| C5 | C3 | N | C2 | 174.2° | 179.8° |
| C5 | C3 | N | N1 | 173.3° | 180.0° |
| C5 | C3 | C2 | C1 | 173.1° | 179.8° |
| C5 | C3 | C2 | H1 | 6.9° | 0.2° |
| C3 | C5 | H28 | H29 | 118.3° | 120.0° |
| C18 | C19 | C16 | C17 | 0.1° | 0.3° |
| C18 | C19 | C16 | C20 | 174.1° | 180.0° |
| C18 | C19 | C16 | C15 | 178.1° | 179.9° |
| C18 | C19 | C20 | C21 | 88.6° | 90.0° |
| C18 | C19 | C20 | H11 | 32.2° | 30.0° |
| C18 | C19 | C20 | H12 | 150.6° | 150.0° |
| C19 | C18 | N4 | H25 | 179.6° | 180.0° |
| C12 | C17 | C16 | C19 | 178.1° | 179.6° |
| C17 | C12 | C13 | C14 | 0.3° | 0.3° |
| C12 | C17 | C16 | C15 | 0.2° | 0.6° |
| C17 | C12 | C13 | H8 | 179.7° | 179.7° |
| C12 | C17 | N4 | H25 | 1.9° | 0.9° |
| C13 | C12 | C17 | C16 | 0.1° | 0.6° |
| C12 | C13 | C14 | H8 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.0° |
| C12 | C13 | C14 | H9 | 179.8° | 180.0° |
| C17 | C16 | C19 | C15 | 178.0° | 179.8° |
| C17 | C16 | C19 | C20 | 174.0° | 179.7° |
| C17 | C16 | C15 | C14 | 0.3° | 0.3° |
| C17 | C16 | C15 | H10 | 179.7° | 179.7° |
| C16 | C17 | N4 | H25 | 179.6° | 179.9° |
| N | C3 | C2 | C1 | 1.0° | 0.0° |
| C3 | N | N1 | C1 | 0.6° | 0.3° |
| C3 | N | N1 | C4 | 179.8° | 179.9° |
| N | C3 | C2 | H1 | 179.0° | 180.0° |
| N | C3 | C5 | H28 | 60.5° | 150.0° |
| N | C3 | C5 | H29 | 179.4° | 30.0° |
| C2 | C3 | N | N1 | 1.0° | 0.2° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | N1 | 0.6° | 0.2° |
| C3 | C2 | C1 | C | 179.1° | 180.0° |
| C2 | C3 | C5 | H28 | 126.1° | 30.2° |
| C2 | C3 | C5 | H29 | 7.2° | 150.2° |
| N | N1 | C1 | C2 | 0.1° | 0.3° |
| N | N1 | C1 | C4 | 179.2° | 179.7° |
| N | N1 | C1 | C | 179.7° | 179.9° |
| N | N1 | C4 | H30 | 0.0° | 90.0° |
| N | N1 | C4 | H31 | 120.0° | 150.0° |
| N | N1 | C4 | H32 | 120.0° | 30.1° |
| C16 | C19 | C20 | C21 | 98.5° | 89.9° |
| C19 | C16 | C15 | C14 | 177.5° | 179.9° |
| C19 | C16 | C15 | H10 | 2.5° | 0.1° |
| C16 | C19 | C20 | H11 | 140.7° | 150.0° |
| C16 | C19 | C20 | H12 | 22.3° | 30.1° |
| C20 | C19 | C16 | C15 | 4.0° | 0.1° |
| C19 | C20 | C21 | H11 | 120.8° | 120.0° |
| C19 | C20 | C21 | H12 | 120.8° | 120.0° |
| C19 | C20 | C21 | C22 | 71.5° | 180.0° |
| C19 | C20 | H11 | H12 | 117.6° | 120.0° |
| C19 | C20 | C21 | H13 | 49.0° | 60.0° |
| C19 | C20 | C21 | H14 | 168.0° | 60.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C13 | C14 | C15 | H9 | 180.0° | 180.0° |
| C13 | C14 | C15 | H10 | 179.9° | 180.0° |
| C16 | C15 | C14 | H10 | 180.0° | 180.0° |
| C16 | C15 | C14 | H9 | 179.9° | 180.0° |
| C2 | C1 | N1 | C | 179.8° | 179.8° |
| C2 | C1 | N1 | C4 | 179.1° | 180.0° |
| C2 | C1 | C | H33 | 89.8° | 90.0° |
| C2 | C1 | C | H34 | 150.1° | 150.0° |
| C2 | C1 | C | H35 | 30.1° | 30.0° |
| C20 | C21 | C22 | H13 | 120.5° | 120.1° |
| C20 | C21 | C22 | H14 | 120.5° | 120.0° |
| C20 | C21 | C22 | O | 62.3° | 180.0° |
| C21 | C20 | H11 | H12 | 117.6° | 120.0° |
| C20 | C21 | H13 | H14 | 118.6° | 120.0° |
| C20 | C21 | C22 | H15 | 57.6° | 60.0° |
| C20 | C21 | C22 | H16 | 177.8° | 60.0° |
| N1 | C1 | C2 | H1 | 179.4° | 179.8° |
| C1 | N1 | C4 | H30 | 179.1° | 90.4° |
| C1 | N1 | C4 | H31 | 59.1° | 29.6° |
| C1 | N1 | C4 | H32 | 60.9° | 149.6° |
| N1 | C1 | C | H33 | 89.9° | 90.2° |
| N1 | C1 | C | H34 | 30.1° | 29.7° |
| N1 | C1 | C | H35 | 150.1° | 149.8° |
| C4 | N1 | C1 | C | 1.1° | 0.2° |
| N1 | C4 | H30 | H31 | 120.0° | 120.0° |
| N1 | C4 | H30 | H32 | 120.0° | 120.0° |
| N1 | C4 | H31 | H32 | 120.0° | 119.9° |
| C15 | C14 | C13 | H8 | 179.8° | 180.0° |
| C21 | C22 | O | H15 | 119.9° | 120.0° |
| C21 | C22 | O | H16 | 119.9° | 120.0° |
| C21 | C22 | O | C23 | 178.5° | 180.0° |
| C22 | C21 | C20 | H11 | 167.7° | 59.9° |
| C22 | C21 | C20 | H12 | 49.3° | 60.0° |
| C22 | C21 | H13 | H14 | 118.5° | 120.0° |
| C21 | C22 | H15 | H16 | 120.3° | 120.0° |
| C | C1 | C2 | H1 | 0.9° | 0.0° |
| C1 | C | H33 | H34 | 120.0° | 119.9° |
| C1 | C | H33 | H35 | 120.0° | 120.0° |
| C1 | C | H34 | H35 | 120.0° | 120.0° |
| C22 | O | C23 | C24 | 1.1° | 0.0° |
| C22 | O | C23 | C28 | 179.8° | 180.0° |
| O | C22 | C21 | H13 | 177.3° | 60.0° |
| O | C22 | C21 | H14 | 58.2° | 60.0° |
| O | C22 | H15 | H16 | 120.3° | 120.0° |
| O | C23 | C24 | C28 | 178.6° | 180.0° |
| O | C23 | C24 | C25 | 178.3° | 179.9° |
| O | C23 | C28 | C29 | 2.5° | 0.0° |
| O | C23 | C28 | C27 | 177.9° | 180.0° |
| C23 | O | C22 | H15 | 61.6° | 60.0° |
| C23 | O | C22 | H16 | 58.6° | 60.0° |
| O | C23 | C24 | H17 | 1.7° | 0.2° |
| C23 | C24 | C25 | H17 | 180.0° | 179.7° |
| C24 | C23 | C28 | C29 | 178.7° | 180.0° |
| C24 | C23 | C28 | C27 | 0.9° | 0.0° |
| C23 | C24 | C25 | C26 | 0.2° | 0.3° |
| C23 | C24 | C25 | H24 | 179.8° | 179.7° |
| C28 | C23 | C24 | C25 | 0.3° | 0.0° |
| C23 | C28 | C29 | C27 | 179.6° | 180.0° |
| C23 | C28 | C29 | C30 | 179.5° | 180.0° |
| C23 | C28 | C27 | C26 | 0.9° | 0.3° |
| C23 | C28 | C27 | C32 | 179.0° | 179.7° |
| C28 | C23 | C24 | H17 | 179.6° | 179.7° |
| C23 | C28 | C29 | H22 | 0.4° | 0.0° |
| C24 | C25 | C26 | H24 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.1° | 0.6° |
| C24 | C25 | C26 | H23 | 179.9° | 179.5° |
| C28 | C29 | C30 | H22 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.4° | 0.1° |
| C29 | C28 | C27 | C26 | 178.7° | 179.7° |
| C29 | C28 | C27 | C32 | 1.4° | 0.3° |
| C28 | C29 | C30 | H18 | 179.6° | 179.8° |
| C30 | C29 | C28 | C27 | 0.9° | 0.0° |
| C29 | C30 | C31 | H18 | 180.0° | 179.7° |
| C29 | C30 | C31 | C32 | 1.2° | 0.3° |
| C29 | C30 | C31 | H19 | 178.9° | 179.7° |
| C28 | C27 | C26 | C25 | 0.4° | 0.6° |
| C28 | C27 | C26 | C32 | 179.9° | 179.4° |
| C28 | C27 | C32 | C31 | 0.7° | 0.5° |
| C28 | C27 | C32 | H20 | 179.3° | 179.5° |
| C27 | C28 | C29 | H22 | 179.2° | 180.0° |
| C28 | C27 | C26 | H23 | 179.6° | 179.5° |
| C25 | C26 | C27 | H23 | 180.0° | 180.0° |
| C25 | C26 | C27 | C32 | 179.4° | 180.0° |
| C26 | C25 | C24 | H17 | 179.8° | 180.0° |
| C30 | C31 | C32 | C27 | 0.6° | 0.5° |
| C30 | C31 | C32 | H19 | 180.0° | 180.0° |
| C30 | C31 | C32 | H20 | 179.4° | 179.5° |
| C31 | C30 | C29 | H22 | 179.6° | 180.0° |
| C26 | C27 | C32 | C31 | 179.4° | 180.0° |
| C26 | C27 | C32 | H20 | 0.6° | 0.1° |
| C27 | C26 | C25 | H24 | 179.9° | 179.5° |
| C27 | C32 | C31 | H20 | 180.0° | 179.9° |
| C27 | C32 | C31 | H19 | 179.4° | 179.5° |
| C32 | C27 | C26 | H23 | 0.6° | 0.1° |
| C32 | C31 | C30 | H18 | 178.8° | 180.0° |
| H2 | C10 | H3 | H4 | 120.0° | 120.0° |
| H5 | C11 | H6 | H7 | 120.0° | 120.0° |
| H8 | C13 | C14 | H9 | 0.2° | 0.0° |
| H9 | C14 | C15 | H10 | 0.1° | 0.0° |
| H11 | C20 | C21 | H13 | 71.8° | 180.0° |
| H11 | C20 | C21 | H14 | 47.3° | 60.1° |
| H12 | C20 | C21 | H13 | 169.8° | 60.0° |
| H12 | C20 | C21 | H14 | 71.2° | 180.0° |
| H13 | C21 | C22 | H15 | 62.8° | 180.0° |
| H13 | C21 | C22 | H16 | 57.4° | 60.0° |
| H14 | C21 | C22 | H15 | 178.1° | 60.0° |
| H14 | C21 | C22 | H16 | 61.7° | 180.0° |
| H17 | C24 | C25 | H24 | 0.1° | 0.0° |
| H18 | C30 | C31 | H19 | 1.1° | 0.0° |
| H18 | C30 | C29 | H22 | 0.5° | 0.2° |
| H19 | C31 | C32 | H20 | 0.6° | 0.5° |
| H23 | C26 | C25 | H24 | 0.1° | 0.5° |
| H30 | C4 | H31 | H32 | 120.0° | 120.0° |
| H33 | C | H34 | H35 | 120.0° | 120.0° |
