WNE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C10 | sing | 1.51Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| F | C11 | sing | 1.35Å | 1.36Å | |
| C10 | C11 | doub | 1.35Å | 1.39Å | Aromatic |
| C10 | N3 | sing | 1.33Å | 1.31Å | Aromatic |
| C11 | N1 | sing | 1.35Å | 1.33Å | Aromatic |
| N3 | N2 | doub | 1.29Å | 1.34Å | Aromatic |
| N1 | N2 | sing | 1.40Å | 1.36Å | Aromatic |
| N1 | C9 | sing | 1.46Å | 1.47Å | |
| C9 | C8 | sing | 1.53Å | 1.57Å | |
| C13 | C14 | sing | 1.53Å | 1.56Å | |
| C8 | C7 | sing | 1.53Å | 1.56Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.42Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.36Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.57Å | |
| C1 | C | sing | 1.51Å | 1.53Å | |
| C1 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | O | sing | 1.36Å | 1.37Å | |
| C4 | C22 | doub | 1.39Å | 1.36Å | Aromatic |
| O | C5 | sing | 1.34Å | 1.34Å | |
| C7 | C6 | sing | 1.53Å | 1.57Å | |
| C23 | C22 | sing | 1.39Å | 1.37Å | Aromatic |
| C22 | N | sing | 1.39Å | 1.30Å | |
| C5 | N | sing | 1.35Å | 1.29Å | |
| C5 | O1 | doub | 1.22Å | 1.18Å | |
| N | C6 | sing | 1.46Å | 1.49Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.53Å | 1.58Å | |
| C17 | C21 | sing | 1.54Å | 1.58Å | |
| C17 | S | sing | 1.84Å | 1.79Å | |
| C21 | N5 | sing | 1.47Å | 1.44Å | |
| C21 | C19 | sing | 1.53Å | 1.53Å | |
| N5 | C20 | sing | 1.34Å | 1.49Å | |
| S | C18 | sing | 1.84Å | 1.80Å | |
| C19 | C18 | sing | 1.54Å | 1.57Å | |
| C19 | N4 | sing | 1.47Å | 1.42Å | |
| C20 | O2 | doub | 1.22Å | 1.17Å | |
| C20 | N4 | sing | 1.34Å | 1.48Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| N4 | H27 | sing | 0.97Å | 1.00Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.08Å | 1.08Å | |
| N5 | H28 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C12 | C13 | 107.9° | 109.5° |
| C12 | C10 | C11 | 129.8° | 125.5° |
| C12 | C10 | N3 | 123.4° | 125.6° |
| C10 | C12 | H13 | 109.9° | 109.4° |
| C10 | C12 | H14 | 109.9° | 109.5° |
| C12 | C13 | C14 | 112.6° | 109.4° |
| C13 | C12 | H13 | 109.9° | 109.5° |
| C13 | C12 | H14 | 109.9° | 109.5° |
| C12 | C13 | H16 | 108.7° | 109.4° |
| C12 | C13 | H15 | 108.7° | 109.5° |
| F | C11 | C10 | 125.4° | 126.6° |
| F | C11 | N1 | 126.2° | 126.6° |
| C11 | C10 | N3 | 106.7° | 108.9° |
| C10 | C11 | N1 | 108.4° | 106.9° |
| C10 | N3 | N2 | 109.8° | 109.8° |
| C11 | N1 | N2 | 107.2° | 106.4° |
| C11 | N1 | C9 | 127.4° | 126.8° |
| N3 | N2 | N1 | 107.9° | 108.0° |
| N2 | N1 | C9 | 125.4° | 126.8° |
| N1 | C9 | C8 | 114.7° | 109.5° |
| N1 | C9 | H12 | 108.2° | 109.5° |
| N1 | C9 | H11 | 108.2° | 109.5° |
| C9 | C8 | C7 | 113.6° | 109.5° |
| C9 | C8 | H10 | 108.4° | 109.5° |
| C9 | C8 | H9 | 108.4° | 109.5° |
| C8 | C9 | H12 | 108.2° | 109.5° |
| C8 | C9 | H11 | 108.1° | 109.5° |
| C13 | C14 | C15 | 114.4° | 109.4° |
| C14 | C13 | H16 | 108.7° | 109.5° |
| C14 | C13 | H15 | 108.7° | 109.4° |
| C13 | C14 | H17 | 108.2° | 109.5° |
| C13 | C14 | H18 | 108.2° | 109.4° |
| C8 | C7 | C6 | 113.3° | 109.5° |
| C8 | C7 | H8 | 108.5° | 109.4° |
| C8 | C7 | H7 | 108.5° | 109.5° |
| C7 | C8 | H10 | 108.4° | 109.5° |
| C7 | C8 | H9 | 108.4° | 109.4° |
| C3 | C2 | C1 | 121.2° | 120.3° |
| C2 | C3 | C4 | 118.4° | 120.0° |
| C2 | C3 | H4 | 120.8° | 120.0° |
| C3 | C2 | H3 | 119.4° | 119.9° |
| C2 | C1 | C | 123.6° | 119.9° |
| C2 | C1 | C23 | 116.6° | 120.2° |
| C1 | C2 | H3 | 119.4° | 119.8° |
| C3 | C4 | O | 129.4° | 133.0° |
| C3 | C4 | C22 | 122.8° | 119.7° |
| C4 | C3 | H4 | 120.8° | 120.0° |
| C14 | C15 | C16 | 112.0° | 109.5° |
| C15 | C14 | H17 | 108.2° | 109.5° |
| C15 | C14 | H18 | 108.2° | 109.5° |
| C14 | C15 | H20 | 108.8° | 109.4° |
| C14 | C15 | H19 | 108.8° | 109.5° |
| C | C1 | C23 | 119.8° | 119.9° |
| C1 | C | H | 109.5° | 109.4° |
| C1 | C | H1 | 109.4° | 109.4° |
| C1 | C | H2 | 109.5° | 109.4° |
| C1 | C23 | C22 | 121.6° | 119.8° |
| C1 | C23 | H30 | 119.2° | 120.1° |
| O | C4 | C22 | 107.8° | 107.3° |
| C4 | O | C5 | 106.5° | 109.1° |
| C4 | C22 | C23 | 119.5° | 120.0° |
| C4 | C22 | N | 105.1° | 106.6° |
| O | C5 | N | 107.6° | 109.5° |
| O | C5 | O1 | 124.4° | 125.3° |
| C7 | C6 | N | 111.2° | 109.4° |
| C6 | C7 | H8 | 108.5° | 109.5° |
| C6 | C7 | H7 | 108.5° | 109.5° |
| C7 | C6 | H5 | 109.0° | 109.5° |
| C7 | C6 | H6 | 109.0° | 109.5° |
| C23 | C22 | N | 135.4° | 133.4° |
| C22 | C23 | H30 | 119.2° | 120.1° |
| C22 | N | C5 | 113.0° | 107.5° |
| C22 | N | C6 | 124.1° | 126.3° |
| N | C5 | O1 | 128.0° | 125.2° |
| C5 | N | C6 | 122.9° | 126.3° |
| N | C6 | H5 | 109.1° | 109.5° |
| N | C6 | H6 | 109.0° | 109.5° |
| C15 | C16 | C17 | 120.8° | 109.5° |
| C16 | C15 | H20 | 108.8° | 109.5° |
| C16 | C15 | H19 | 108.9° | 109.5° |
| C15 | C16 | H22 | 106.6° | 109.5° |
| C15 | C16 | H21 | 106.5° | 109.5° |
| C16 | C17 | C21 | 120.3° | 110.7° |
| C16 | C17 | S | 114.4° | 110.7° |
| C17 | C16 | H22 | 106.6° | 109.5° |
| C17 | C16 | H21 | 106.6° | 109.5° |
| C16 | C17 | H23 | 107.4° | 110.6° |
| C21 | C17 | S | 100.8° | 102.7° |
| C17 | C21 | N5 | 118.0° | 109.3° |
| C17 | C21 | C19 | 106.2° | 112.4° |
| C21 | C17 | H23 | 107.5° | 110.8° |
| C17 | C21 | H29 | 108.3° | 110.2° |
| C17 | S | C18 | 87.0° | 94.8° |
| S | C17 | H23 | 105.4° | 111.0° |
| N5 | C21 | C19 | 104.9° | 104.0° |
| C21 | N5 | C20 | 109.7° | 109.0° |
| N5 | C21 | H29 | 110.2° | 110.2° |
| C21 | N5 | H28 | 125.1° | 125.4° |
| C21 | C19 | C18 | 107.5° | 112.4° |
| C21 | C19 | N4 | 110.2° | 104.0° |
| C21 | C19 | H26 | 110.2° | 110.6° |
| C19 | C21 | H29 | 108.9° | 110.6° |
| N5 | C20 | O2 | 126.0° | 123.0° |
| N5 | C20 | N4 | 107.8° | 113.9° |
| C20 | N5 | H28 | 125.1° | 125.5° |
| S | C18 | C19 | 105.1° | 102.8° |
| S | C18 | H24 | 110.5° | 110.6° |
| S | C18 | H25 | 110.6° | 111.0° |
| C18 | C19 | N4 | 107.3° | 109.2° |
| C19 | C18 | H24 | 110.6° | 110.8° |
| C19 | C18 | H25 | 110.5° | 110.8° |
| C18 | C19 | H26 | 109.7° | 110.2° |
| C19 | N4 | C20 | 107.1° | 109.0° |
| C19 | N4 | H27 | 126.4° | 125.5° |
| N4 | C19 | H26 | 111.8° | 110.2° |
| O2 | C20 | N4 | 126.2° | 123.1° |
| C20 | N4 | H27 | 126.4° | 125.5° |
| H8 | C7 | H7 | 109.5° | 109.5° |
| H10 | C8 | H9 | 109.5° | 109.5° |
| H12 | C9 | H11 | 109.4° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H | C | H1 | 109.5° | 109.6° |
| H | C | H2 | 109.5° | 109.5° |
| H1 | C | H2 | 109.5° | 109.5° |
| H13 | C12 | H14 | 109.4° | 109.4° |
| H16 | C13 | H15 | 109.5° | 109.5° |
| H17 | C14 | H18 | 109.5° | 109.4° |
| H20 | C15 | H19 | 109.5° | 109.5° |
| H22 | C16 | H21 | 109.5° | 109.4° |
| H24 | C18 | H25 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C12 | C13 | H13 | 119.8° | 120.0° |
| C10 | C12 | C13 | H14 | 119.8° | 120.0° |
| C12 | C10 | C11 | F | 3.1° | 0.4° |
| C12 | C10 | C11 | N3 | 176.5° | 179.6° |
| C12 | C10 | C11 | N1 | 177.2° | 180.0° |
| C12 | C10 | N3 | N2 | 177.8° | 179.8° |
| C10 | C12 | C13 | C14 | 54.6° | 180.0° |
| C10 | C12 | H13 | H14 | 120.7° | 119.9° |
| C10 | C12 | C13 | H16 | 175.1° | 60.0° |
| C10 | C12 | C13 | H15 | 65.8° | 60.0° |
| C13 | C12 | C10 | C11 | 115.8° | 90.0° |
| C13 | C12 | C10 | N3 | 60.1° | 89.5° |
| C12 | C13 | C14 | H16 | 120.4° | 120.0° |
| C12 | C13 | C14 | H15 | 120.5° | 119.9° |
| C12 | C13 | C14 | C15 | 172.8° | 180.0° |
| C13 | C12 | H13 | H14 | 120.7° | 120.0° |
| C12 | C13 | H16 | H15 | 118.6° | 120.0° |
| C12 | C13 | C14 | H17 | 66.5° | 59.9° |
| C12 | C13 | C14 | H18 | 52.1° | 60.0° |
| F | C11 | C10 | N1 | 179.6° | 179.6° |
| F | C11 | C10 | N3 | 179.6° | 180.0° |
| F | C11 | N1 | N2 | 179.8° | 180.0° |
| F | C11 | N1 | C9 | 1.3° | 0.3° |
| C11 | C10 | N3 | N2 | 1.0° | 0.3° |
| C10 | C11 | N1 | N2 | 0.2° | 0.4° |
| C10 | C11 | N1 | C9 | 178.3° | 179.9° |
| C11 | C10 | C12 | H13 | 4.0° | 150.0° |
| C11 | C10 | C12 | H14 | 124.4° | 30.1° |
| N3 | C10 | C11 | N1 | 0.8° | 0.4° |
| C10 | N3 | N2 | N1 | 0.9° | 0.0° |
| N3 | C10 | C12 | H13 | 179.9° | 30.5° |
| N3 | C10 | C12 | H14 | 59.6° | 150.4° |
| C11 | N1 | N2 | N3 | 0.4° | 0.2° |
| C11 | N1 | N2 | C9 | 178.6° | 179.7° |
| C11 | N1 | C9 | C8 | 58.6° | 89.7° |
| C11 | N1 | C9 | H12 | 179.4° | 30.3° |
| C11 | N1 | C9 | H11 | 62.2° | 150.3° |
| N3 | N2 | N1 | C9 | 179.0° | 179.9° |
| N2 | N1 | C9 | C8 | 123.1° | 90.0° |
| N2 | N1 | C9 | H12 | 2.4° | 150.0° |
| N2 | N1 | C9 | H11 | 116.1° | 30.0° |
| N1 | C9 | C8 | H12 | 120.8° | 120.0° |
| N1 | C9 | C8 | H11 | 120.8° | 120.0° |
| N1 | C9 | C8 | C7 | 108.3° | 180.0° |
| N1 | C9 | C8 | H10 | 131.1° | 60.0° |
| N1 | C9 | C8 | H9 | 12.3° | 60.0° |
| N1 | C9 | H12 | H11 | 117.7° | 120.0° |
| C9 | C8 | C7 | H10 | 120.6° | 120.0° |
| C9 | C8 | C7 | H9 | 120.6° | 120.0° |
| C9 | C8 | C7 | C6 | 174.3° | 180.0° |
| C9 | C8 | C7 | H8 | 65.1° | 60.0° |
| C9 | C8 | C7 | H7 | 53.8° | 60.0° |
| C9 | C8 | H10 | H9 | 118.1° | 120.0° |
| C8 | C9 | H12 | H11 | 117.6° | 120.0° |
| C13 | C14 | C15 | H17 | 120.7° | 120.1° |
| C13 | C14 | C15 | H18 | 120.7° | 120.0° |
| C13 | C14 | C15 | C16 | 94.3° | 180.0° |
| C14 | C13 | C12 | H13 | 65.1° | 59.9° |
| C14 | C13 | C12 | H14 | 174.4° | 60.0° |
| C14 | C13 | H16 | H15 | 118.6° | 120.0° |
| C13 | C14 | H17 | H18 | 117.8° | 120.0° |
| C13 | C14 | C15 | H20 | 26.1° | 60.0° |
| C13 | C14 | C15 | H19 | 145.3° | 60.1° |
| C8 | C7 | C6 | H8 | 120.6° | 119.9° |
| C8 | C7 | C6 | H7 | 120.6° | 120.0° |
| C8 | C7 | C6 | N | 61.0° | 180.0° |
| C8 | C7 | H8 | H7 | 118.3° | 120.0° |
| C7 | C8 | H10 | H9 | 118.1° | 120.0° |
| C7 | C8 | C9 | H12 | 12.5° | 60.0° |
| C7 | C8 | C9 | H11 | 130.9° | 60.0° |
| C8 | C7 | C6 | H5 | 59.3° | 60.0° |
| C8 | C7 | C6 | H6 | 178.8° | 60.0° |
| C3 | C2 | C1 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | H4 | 180.0° | 179.7° |
| C3 | C2 | C1 | C | 179.7° | 180.0° |
| C3 | C2 | C1 | C23 | 0.0° | 0.2° |
| C2 | C3 | C4 | O | 179.9° | 179.7° |
| C2 | C3 | C4 | C22 | 0.4° | 0.3° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C2 | C1 | C | C23 | 179.7° | 179.7° |
| C2 | C1 | C23 | C22 | 0.3° | 0.2° |
| C1 | C2 | C3 | H4 | 180.0° | 179.7° |
| C2 | C1 | C | H | 89.9° | 90.3° |
| C2 | C1 | C | H1 | 150.1° | 29.7° |
| C2 | C1 | C | H2 | 30.2° | 149.7° |
| C2 | C1 | C23 | H30 | 179.7° | 179.7° |
| C3 | C4 | O | C22 | 179.6° | 180.0° |
| C3 | C4 | O | C5 | 179.7° | 180.0° |
| C3 | C4 | C22 | C23 | 0.7° | 0.3° |
| C3 | C4 | C22 | N | 179.9° | 180.0° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C14 | C15 | C16 | H20 | 120.3° | 120.0° |
| C14 | C15 | C16 | H19 | 120.3° | 120.0° |
| C14 | C15 | C16 | C17 | 177.2° | NaN° |
| C15 | C14 | C13 | H16 | 52.3° | 60.0° |
| C15 | C14 | C13 | H15 | 66.8° | 60.1° |
| C15 | C14 | H17 | H18 | 117.7° | 120.0° |
| C14 | C15 | H20 | H19 | 118.8° | 120.0° |
| C14 | C15 | C16 | H22 | 55.6° | 60.0° |
| C14 | C15 | C16 | H21 | 61.2° | 60.0° |
| C | C1 | C23 | C22 | 179.9° | 180.0° |
| C | C1 | C2 | H3 | 0.3° | 0.0° |
| C1 | C | H | H1 | 120.0° | 120.0° |
| C1 | C | H | H2 | 120.0° | 120.0° |
| C1 | C | H1 | H2 | 120.0° | 120.0° |
| C | C1 | C23 | H30 | 0.1° | 0.0° |
| C1 | C23 | C22 | C4 | 0.7° | 0.0° |
| C1 | C23 | C22 | H30 | 180.0° | 179.9° |
| C1 | C23 | C22 | N | 179.8° | 179.6° |
| C23 | C1 | C2 | H3 | 180.0° | 179.7° |
| C23 | C1 | C | H | 89.9° | 89.9° |
| C23 | C1 | C | H1 | 30.1° | 150.0° |
| C23 | C1 | C | H2 | 150.1° | 30.0° |
| O | C4 | C22 | C23 | 179.7° | 179.7° |
| O | C4 | C22 | N | 0.3° | 0.0° |
| C4 | O | C5 | N | 0.2° | 0.0° |
| C4 | O | C5 | O1 | 179.7° | 180.0° |
| O | C4 | C3 | H4 | 0.1° | 0.0° |
| C22 | C4 | O | C5 | 0.1° | 0.0° |
| C4 | C22 | C23 | N | 179.1° | 179.5° |
| C4 | C22 | N | C5 | 0.5° | 0.0° |
| C4 | C22 | N | C6 | 179.3° | 180.0° |
| C22 | C4 | C3 | H4 | 179.6° | 180.0° |
| C4 | C22 | C23 | H30 | 179.3° | 180.0° |
| O | C5 | N | C22 | 0.4° | 0.0° |
| O | C5 | N | O1 | 179.5° | 180.0° |
| O | C5 | N | C6 | 179.4° | 180.0° |
| C7 | C6 | N | C22 | 101.9° | 90.1° |
| C7 | C6 | N | C5 | 77.9° | 90.0° |
| C7 | C6 | N | H5 | 120.3° | 120.0° |
| C7 | C6 | N | H6 | 120.2° | 120.0° |
| C6 | C7 | H8 | H7 | 118.2° | 120.0° |
| C6 | C7 | C8 | H10 | 53.7° | 60.0° |
| C6 | C7 | C8 | H9 | 65.1° | 60.0° |
| C7 | C6 | H5 | H6 | 119.2° | 120.0° |
| C23 | C22 | N | C5 | 179.7° | 179.6° |
| C23 | C22 | N | C6 | 0.1° | 0.5° |
| C22 | N | C5 | C6 | 179.8° | 179.9° |
| C22 | N | C5 | O1 | 179.9° | 180.0° |
| C22 | N | C6 | H5 | 18.4° | 149.9° |
| C22 | N | C6 | H6 | 137.9° | 29.9° |
| N | C22 | C23 | H30 | 0.2° | 0.5° |
| C5 | N | C6 | H5 | 161.9° | 30.0° |
| C5 | N | C6 | H6 | 42.4° | 150.0° |
| O1 | C5 | N | C6 | 0.1° | 0.0° |
| N | C6 | C7 | H8 | 178.5° | 60.0° |
| N | C6 | C7 | H7 | 59.6° | 60.0° |
| N | C6 | H5 | H6 | 119.2° | 120.0° |
| C15 | C16 | C17 | H22 | 121.6° | 120.0° |
| C15 | C16 | C17 | H21 | 121.6° | 120.0° |
| C15 | C16 | C17 | C21 | 33.9° | 175.0° |
| C15 | C16 | C17 | S | 86.3° | 71.7° |
| C16 | C15 | C14 | H17 | 145.0° | 60.0° |
| C16 | C15 | C14 | H18 | 26.4° | 60.0° |
| C16 | C15 | H20 | H19 | 118.9° | 120.0° |
| C15 | C16 | H22 | H21 | 114.9° | 120.0° |
| C15 | C16 | C17 | H23 | 157.1° | 51.8° |
| C16 | C17 | C21 | S | 126.8° | 118.3° |
| C16 | C17 | C21 | H23 | 123.2° | 123.2° |
| C16 | C17 | S | H23 | 117.7° | 123.3° |
| C16 | C17 | C21 | N5 | 56.1° | 28.0° |
| C16 | C17 | C21 | C19 | 173.3° | 142.9° |
| C16 | C17 | S | C18 | 176.3° | 152.9° |
| C17 | C16 | C15 | H20 | 62.5° | 60.0° |
| C17 | C16 | C15 | H19 | 56.8° | 60.0° |
| C17 | C16 | H22 | H21 | 114.9° | 120.0° |
| C16 | C17 | C21 | H29 | 69.9° | 93.2° |
| C21 | C17 | S | H23 | 111.7° | 118.4° |
| C17 | C21 | N5 | C19 | 117.9° | 120.2° |
| C17 | C21 | N5 | H29 | 125.1° | 121.3° |
| C17 | C21 | C19 | H29 | 116.5° | 123.6° |
| C17 | C21 | N5 | C20 | 121.4° | 120.2° |
| C21 | C17 | S | C18 | 53.1° | 34.6° |
| C17 | C21 | C19 | C18 | 14.2° | 0.2° |
| C17 | C21 | C19 | N4 | 130.8° | 118.2° |
| C21 | C17 | C16 | H22 | 155.5° | 55.0° |
| C21 | C17 | C16 | H21 | 87.6° | 65.0° |
| C17 | C21 | C19 | H26 | 105.3° | 123.4° |
| C17 | C21 | N5 | H28 | 58.6° | 59.7° |
| S | C17 | C21 | N5 | 70.7° | 90.2° |
| S | C17 | C21 | C19 | 46.5° | 24.7° |
| C17 | S | C18 | C19 | 45.7° | 34.6° |
| S | C17 | C16 | H22 | 35.3° | 168.3° |
| S | C17 | C16 | H21 | 152.1° | 48.3° |
| C17 | S | C18 | H24 | 165.0° | 83.7° |
| C17 | S | C18 | H25 | 73.6° | 153.1° |
| S | C17 | C21 | H29 | 163.3° | 148.5° |
| N5 | C21 | C19 | H29 | 117.9° | 118.3° |
| C21 | N5 | C20 | H28 | 180.0° | 180.0° |
| N5 | C21 | C19 | C18 | 111.4° | 117.9° |
| N5 | C21 | C19 | N4 | 5.1° | 0.2° |
| C21 | N5 | C20 | O2 | 178.8° | 179.8° |
| C21 | N5 | C20 | N4 | 0.8° | 0.1° |
| N5 | C21 | C17 | H23 | 179.2° | 151.2° |
| N5 | C21 | C19 | H26 | 129.0° | 118.5° |
| C19 | C21 | N5 | C20 | 3.5° | 0.0° |
| C21 | C19 | C18 | S | 24.0° | 24.4° |
| C21 | C19 | C18 | N4 | 118.5° | 114.9° |
| C21 | C19 | C18 | H26 | 119.9° | 123.8° |
| C21 | C19 | N4 | H26 | 123.0° | 118.5° |
| C21 | C19 | N4 | C20 | 4.7° | 0.2° |
| C21 | C19 | N4 | H27 | 175.3° | 180.0° |
| C19 | C21 | C17 | H23 | 63.6° | 93.9° |
| C21 | C19 | C18 | H24 | 143.2° | 93.7° |
| C21 | C19 | C18 | H25 | 95.3° | 143.1° |
| C19 | C21 | N5 | H28 | 176.5° | 179.9° |
| N5 | C20 | N4 | C19 | 2.5° | 0.2° |
| N5 | C20 | O2 | N4 | 179.4° | 179.9° |
| N5 | C20 | N4 | H27 | 177.5° | 180.0° |
| C20 | N5 | C21 | H29 | 113.6° | 118.5° |
| S | C18 | C19 | H24 | 119.3° | 118.1° |
| S | C18 | C19 | H25 | 119.3° | 118.7° |
| S | C18 | C19 | N4 | 94.5° | 90.5° |
| C18 | S | C17 | H23 | 58.6° | 83.8° |
| S | C18 | H24 | H25 | 122.0° | 123.4° |
| S | C18 | C19 | H26 | 143.8° | 148.3° |
| C18 | C19 | N4 | H26 | 120.3° | 121.3° |
| C18 | C19 | N4 | C20 | 112.0° | 120.0° |
| C18 | C19 | N4 | H27 | 68.0° | 59.8° |
| C19 | C18 | H24 | H25 | 122.0° | 123.3° |
| C18 | C19 | C21 | H29 | 130.7° | 123.8° |
| C19 | N4 | C20 | O2 | 178.0° | 179.7° |
| C19 | N4 | C20 | H27 | 180.0° | 179.8° |
| N4 | C19 | C18 | H24 | 24.7° | 151.4° |
| N4 | C19 | C18 | H25 | 146.1° | 28.2° |
| N4 | C19 | C21 | H29 | 112.8° | 118.2° |
| O2 | C20 | N4 | H27 | 2.0° | 0.1° |
| O2 | C20 | N5 | H28 | 1.2° | 0.2° |
| C20 | N4 | C19 | H26 | 127.7° | 118.8° |
| N4 | C20 | N5 | H28 | 179.2° | 179.9° |
| H8 | C7 | C8 | H10 | 174.3° | 60.0° |
| H8 | C7 | C8 | H9 | 55.5° | NaN° |
| H8 | C7 | C6 | H5 | 61.3° | 179.9° |
| H8 | C7 | C6 | H6 | 58.2° | 60.0° |
| H7 | C7 | C8 | H10 | 66.8° | 180.0° |
| H7 | C7 | C8 | H9 | 174.4° | 60.0° |
| H7 | C7 | C6 | H5 | 179.9° | 60.0° |
| H7 | C7 | C6 | H6 | 60.6° | 180.0° |
| H10 | C8 | C9 | H12 | 108.1° | 60.0° |
| H10 | C8 | C9 | H11 | 10.3° | 180.0° |
| H9 | C8 | C9 | H12 | 133.1° | 179.9° |
| H9 | C8 | C9 | H11 | 108.5° | 60.0° |
| H4 | C3 | C2 | H3 | 0.0° | 0.3° |
| H27 | N4 | C19 | H26 | 52.3° | 61.5° |
| H | C | H1 | H2 | 120.0° | 120.0° |
| H13 | C12 | C13 | H16 | 55.3° | 180.0° |
| H13 | C12 | C13 | H15 | 174.4° | 60.0° |
| H14 | C12 | C13 | H16 | 65.2° | 60.0° |
| H14 | C12 | C13 | H15 | 53.9° | 180.0° |
| H16 | C13 | C14 | H17 | 173.1° | 179.9° |
| H16 | C13 | C14 | H18 | 68.3° | 60.0° |
| H15 | C13 | C14 | H17 | 54.0° | 60.0° |
| H15 | C13 | C14 | H18 | 172.6° | 180.0° |
| H17 | C14 | C15 | H20 | 94.7° | 180.0° |
| H17 | C14 | C15 | H19 | 24.6° | 60.0° |
| H18 | C14 | C15 | H20 | 146.8° | 60.0° |
| H18 | C14 | C15 | H19 | 94.0° | 180.0° |
| H20 | C15 | C16 | H22 | 176.0° | 179.9° |
| H20 | C15 | C16 | H21 | 59.1° | 60.0° |
| H19 | C15 | C16 | H22 | 64.7° | 60.0° |
| H19 | C15 | C16 | H21 | 178.4° | 180.0° |
| H22 | C16 | C17 | H23 | 81.3° | 68.3° |
| H21 | C16 | C17 | H23 | 35.6° | 171.7° |
| H23 | C17 | C21 | H29 | 53.3° | 29.9° |
| H24 | C18 | C19 | H26 | 96.9° | 30.1° |
| H25 | C18 | C19 | H26 | 24.5° | 93.1° |
| H26 | C19 | C21 | H29 | 11.1° | 0.2° |
| H29 | C21 | N5 | H28 | 66.4° | 61.5° |
