WFT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | sing | 1.55Å | 1.52Å | |
| C4 | C5 | sing | 1.54Å | 1.53Å | |
| C3 | C2 | sing | 1.54Å | 1.52Å | |
| C3 | N1 | sing | 1.49Å | 1.44Å | |
| C2 | N | sing | 1.47Å | 1.46Å | |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | C9 | sing | 1.51Å | 1.51Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| N1 | C | sing | 1.49Å | 1.45Å | |
| C9 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C | sing | 1.55Å | 1.52Å | |
| C6 | N | sing | 1.40Å | 1.37Å | |
| C6 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| N | C1 | sing | 1.47Å | 1.46Å | |
| N2 | C14 | sing | 1.46Å | 1.46Å | |
| N2 | C16 | sing | 1.35Å | 1.33Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| C16 | O | doub | 1.22Å | 1.22Å | |
| C16 | C17 | sing | 1.42Å | 1.47Å | |
| C17 | C18 | doub | 1.36Å | 1.38Å | Aromatic |
| C17 | S | sing | 1.75Å | 1.72Å | Aromatic |
| N4 | C18 | sing | 1.39Å | 1.33Å | |
| C | C1 | sing | 1.54Å | 1.51Å | |
| C18 | C19 | sing | 1.45Å | 1.43Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C12 | sing | 1.51Å | 1.51Å | |
| S | C23 | sing | 1.76Å | 1.74Å | Aromatic |
| C19 | C23 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.41Å | 1.39Å | Aromatic |
| C23 | N3 | sing | 1.34Å | 1.33Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| N3 | C22 | doub | 1.31Å | 1.34Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C24 | sing | 1.51Å | 1.49Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H20 | sing | 1.08Å | 1.08Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| C8 | H25 | sing | 1.08Å | 1.08Å | |
| N1 | H26 | sing | 1.01Å | 1.00Å | |
| N2 | H28 | sing | 0.97Å | 1.00Å | |
| N4 | H29 | sing | 0.97Å | 1.00Å | |
| N4 | H30 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | C5 | 104.1° | 104.7° |
| C4 | C3 | C2 | 112.3° | 107.6° |
| C4 | C3 | N1 | 101.8° | 104.0° |
| C3 | C4 | H5 | 110.8° | 110.3° |
| C3 | C4 | H6 | 110.8° | 110.4° |
| C4 | C3 | H24 | 110.8° | 112.4° |
| C4 | C5 | C | 104.4° | 104.7° |
| C4 | C5 | H3 | 110.7° | 110.4° |
| C4 | C5 | H4 | 110.7° | 110.5° |
| C5 | C4 | H5 | 110.8° | 110.4° |
| C5 | C4 | H6 | 110.8° | 110.4° |
| C2 | C3 | N1 | 108.8° | 106.9° |
| C3 | C2 | N | 111.0° | 109.0° |
| C3 | C2 | H1 | 109.1° | 109.6° |
| C3 | C2 | H2 | 109.1° | 109.7° |
| C2 | C3 | H24 | 110.9° | 112.3° |
| C3 | N1 | C | 104.1° | 102.9° |
| N1 | C3 | H24 | 112.0° | 113.0° |
| C3 | N1 | H26 | 110.8° | 111.0° |
| C2 | N | C6 | 119.5° | 111.0° |
| C2 | N | C1 | 119.1° | 111.6° |
| N | C2 | H1 | 109.1° | 109.5° |
| N | C2 | H2 | 109.1° | 109.5° |
| C7 | C8 | C9 | 121.2° | 120.6° |
| C8 | C7 | C6 | 120.4° | 119.7° |
| C8 | C7 | H7 | 119.8° | 120.1° |
| C7 | C8 | H25 | 119.4° | 119.7° |
| C8 | C9 | C15 | 120.2° | 117.7° |
| C8 | C9 | C10 | 119.0° | 119.8° |
| C9 | C8 | H25 | 119.4° | 119.7° |
| C7 | C6 | N | 120.4° | 120.2° |
| C7 | C6 | C11 | 118.9° | 119.6° |
| C6 | C7 | H7 | 119.8° | 120.2° |
| C9 | C15 | C14 | 111.1° | 110.7° |
| C15 | C9 | C10 | 120.7° | 122.5° |
| C9 | C15 | H17 | 109.0° | 109.2° |
| C9 | C15 | H18 | 109.1° | 109.3° |
| C15 | C14 | N2 | 112.0° | 109.7° |
| C15 | C14 | C13 | 109.6° | 108.3° |
| C15 | C14 | H16 | 108.0° | 109.7° |
| C14 | C15 | H17 | 109.1° | 109.5° |
| C14 | C15 | H18 | 109.0° | 109.0° |
| N1 | C | C5 | 102.4° | 104.0° |
| N1 | C | C1 | 109.4° | 107.0° |
| N1 | C | H8 | 111.7° | 113.0° |
| C | N1 | H26 | 110.8° | 111.0° |
| C9 | C10 | C11 | 119.3° | 119.8° |
| C9 | C10 | C12 | 121.9° | 122.6° |
| C5 | C | C1 | 111.6° | 107.6° |
| C | C5 | H3 | 110.7° | 110.3° |
| C | C5 | H4 | 110.7° | 110.4° |
| C5 | C | H8 | 110.6° | 112.4° |
| N | C6 | C11 | 120.7° | 120.1° |
| C6 | N | C1 | 120.5° | 111.0° |
| C6 | C11 | C10 | 121.3° | 120.5° |
| C6 | C11 | H11 | 119.4° | 119.8° |
| N | C1 | C | 109.7° | 108.9° |
| N | C1 | H9 | 109.4° | 109.5° |
| N | C1 | H10 | 109.4° | 109.5° |
| C14 | N2 | C16 | 120.2° | 120.0° |
| N2 | C14 | C13 | 110.3° | 109.7° |
| N2 | C14 | H16 | 108.8° | 109.7° |
| C14 | N2 | H28 | 119.9° | 120.0° |
| N2 | C16 | O | 122.1° | 120.0° |
| N2 | C16 | C17 | 119.4° | 120.0° |
| C16 | N2 | H28 | 119.9° | 120.0° |
| C14 | C13 | C12 | 108.5° | 108.4° |
| C14 | C13 | H14 | 109.7° | 109.7° |
| C14 | C13 | H15 | 109.7° | 109.7° |
| C13 | C14 | H16 | 108.1° | 109.7° |
| O | C16 | C17 | 118.5° | 120.0° |
| C16 | C17 | C18 | 123.5° | 124.5° |
| C16 | C17 | S | 123.1° | 124.4° |
| C18 | C17 | S | 113.4° | 111.1° |
| C17 | C18 | N4 | 124.2° | 123.0° |
| C17 | C18 | C19 | 111.9° | 114.0° |
| C17 | S | C23 | 90.5° | 92.5° |
| N4 | C18 | C19 | 123.9° | 123.0° |
| C18 | N4 | H29 | 109.5° | 120.0° |
| C18 | N4 | H30 | 109.5° | 120.0° |
| C1 | C | H8 | 110.9° | 112.3° |
| C | C1 | H9 | 109.4° | 109.5° |
| C | C1 | H10 | 109.4° | 109.6° |
| C18 | C19 | C23 | 111.6° | 112.3° |
| C18 | C19 | C20 | 131.7° | 129.2° |
| C11 | C10 | C12 | 118.8° | 117.7° |
| C10 | C11 | H11 | 119.4° | 119.8° |
| C10 | C12 | C13 | 113.7° | 110.6° |
| C10 | C12 | H12 | 108.4° | 109.3° |
| C10 | C12 | H13 | 108.4° | 109.3° |
| S | C23 | C19 | 112.5° | 110.1° |
| S | C23 | N3 | 121.8° | 129.9° |
| C23 | C19 | C20 | 116.7° | 118.5° |
| C19 | C23 | N3 | 125.6° | 120.1° |
| C19 | C20 | C21 | 119.0° | 118.7° |
| C19 | C20 | H19 | 120.5° | 120.6° |
| C23 | N3 | C22 | 116.9° | 122.2° |
| C20 | C21 | C22 | 119.9° | 119.5° |
| C21 | C20 | H19 | 120.5° | 120.6° |
| C20 | C21 | H20 | 120.1° | 120.3° |
| N3 | C22 | C21 | 121.9° | 121.1° |
| N3 | C22 | C24 | 116.5° | 119.4° |
| C21 | C22 | C24 | 121.5° | 119.5° |
| C22 | C21 | H20 | 120.1° | 120.2° |
| C22 | C24 | H21 | 109.5° | 109.5° |
| C22 | C24 | H22 | 109.5° | 109.4° |
| C22 | C24 | H23 | 109.5° | 109.5° |
| C13 | C12 | H12 | 108.4° | 109.2° |
| C13 | C12 | H13 | 108.4° | 109.2° |
| C12 | C13 | H14 | 109.7° | 109.7° |
| C12 | C13 | H15 | 109.7° | 109.7° |
| H1 | C2 | H2 | 109.4° | 109.5° |
| H3 | C5 | H4 | 109.5° | 110.3° |
| H5 | C4 | H6 | 109.4° | 110.4° |
| H9 | C1 | H10 | 109.5° | 109.7° |
| H12 | C12 | H13 | 109.5° | 109.2° |
| H14 | C13 | H15 | 109.5° | 109.7° |
| H17 | C15 | H18 | 109.5° | 109.2° |
| H21 | C24 | H22 | 109.4° | 109.5° |
| H21 | C24 | H23 | 109.5° | 109.5° |
| H22 | C24 | H23 | 109.4° | 109.5° |
| H29 | N4 | H30 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | C5 | H5 | 119.1° | 118.8° |
| C3 | C4 | C5 | H6 | 119.2° | 118.8° |
| C4 | C3 | C2 | N1 | 111.9° | 111.3° |
| C4 | C3 | C2 | H24 | 124.5° | 124.3° |
| C4 | C3 | N1 | H24 | 118.4° | 122.2° |
| C4 | C3 | C2 | N | 59.2° | 47.6° |
| C4 | C3 | N1 | C | 47.8° | 42.8° |
| C3 | C4 | C5 | C | 3.4° | 0.0° |
| C4 | C3 | C2 | H1 | 61.1° | 167.5° |
| C4 | C3 | C2 | H2 | 179.4° | 72.3° |
| C3 | C4 | C5 | H3 | 122.6° | 118.8° |
| C3 | C4 | C5 | H4 | 115.8° | 118.9° |
| C3 | C4 | H5 | H6 | 122.5° | 122.3° |
| C4 | C3 | N1 | H26 | 167.0° | 161.7° |
| C5 | C4 | C3 | C2 | 85.9° | 87.3° |
| C5 | C4 | C3 | N1 | 30.4° | 26.0° |
| C4 | C5 | C | N1 | 24.6° | 25.9° |
| C4 | C5 | C | H3 | 119.2° | 118.8° |
| C4 | C5 | C | H4 | 119.2° | 119.0° |
| C4 | C5 | C | C1 | 92.3° | 87.3° |
| C4 | C5 | H3 | H4 | 122.3° | 122.5° |
| C5 | C4 | H5 | H6 | 122.5° | 122.4° |
| C4 | C5 | C | H8 | 143.7° | 148.5° |
| C5 | C4 | C3 | H24 | 149.6° | 148.5° |
| C2 | C3 | N1 | H24 | 122.9° | 124.1° |
| C3 | C2 | N | H1 | 120.2° | 119.9° |
| C3 | C2 | N | H2 | 120.3° | 120.0° |
| C2 | C3 | N1 | C | 70.9° | 70.9° |
| C3 | C2 | N | C6 | 132.5° | 69.1° |
| C3 | C2 | N | C1 | 36.9° | 55.3° |
| C3 | C2 | H1 | H2 | 119.3° | 120.3° |
| C2 | C3 | C4 | H5 | 155.0° | 31.5° |
| C2 | C3 | C4 | H6 | 33.3° | 153.9° |
| C2 | C3 | N1 | H26 | 48.3° | 47.9° |
| N1 | C3 | C2 | N | 52.7° | 63.6° |
| C3 | N1 | C | H26 | 119.1° | 118.9° |
| C3 | N1 | C | C5 | 45.6° | 42.8° |
| C3 | N1 | C | C1 | 72.9° | 71.0° |
| N1 | C3 | C2 | H1 | 173.0° | 56.2° |
| N1 | C3 | C2 | H2 | 67.5° | 176.4° |
| N1 | C3 | C4 | H5 | 88.8° | 144.8° |
| N1 | C3 | C4 | H6 | 149.5° | 92.9° |
| C3 | N1 | C | H8 | 164.0° | 164.9° |
| C2 | N | C6 | C7 | 23.9° | 152.5° |
| C2 | N | C6 | C1 | 169.2° | 124.8° |
| C2 | N | C6 | C11 | 154.9° | 27.8° |
| C2 | N | C1 | C | 37.7° | 55.3° |
| N | C2 | H1 | H2 | 119.3° | 120.1° |
| C2 | N | C1 | H9 | 157.7° | 175.1° |
| C2 | N | C1 | H10 | 82.4° | 64.5° |
| N | C2 | C3 | H24 | 176.4° | 171.9° |
| C7 | C8 | C9 | H25 | 180.0° | 180.0° |
| C8 | C7 | C6 | H7 | 180.0° | 180.0° |
| C7 | C8 | C9 | C15 | 175.7° | 179.8° |
| C7 | C8 | C9 | C10 | 1.3° | 0.5° |
| C8 | C7 | C6 | N | 177.5° | 179.8° |
| C8 | C7 | C6 | C11 | 1.3° | 0.5° |
| C9 | C8 | C7 | C6 | 0.0° | 0.0° |
| C8 | C9 | C15 | C10 | 177.0° | 179.7° |
| C8 | C9 | C15 | C14 | 159.1° | 162.2° |
| C8 | C9 | C10 | C11 | 1.5° | 0.6° |
| C8 | C9 | C10 | C12 | 178.3° | 179.3° |
| C9 | C8 | C7 | H7 | 179.9° | 180.0° |
| C8 | C9 | C15 | H17 | 38.8° | 77.3° |
| C8 | C9 | C15 | H18 | 80.7° | 42.1° |
| C7 | C6 | N | C11 | 178.7° | 179.7° |
| C7 | C6 | N | C1 | 166.9° | 27.7° |
| C7 | C6 | C11 | C10 | 1.1° | 0.4° |
| C7 | C6 | C11 | H11 | 178.9° | 179.6° |
| C6 | C7 | C8 | H25 | 180.0° | 180.0° |
| C9 | C15 | C14 | H17 | 120.2° | 120.4° |
| C9 | C15 | C14 | H18 | 120.2° | 120.2° |
| C9 | C15 | C14 | N2 | 176.6° | 170.8° |
| C9 | C15 | C14 | C13 | 53.9° | 51.1° |
| C15 | C9 | C10 | C11 | 175.5° | 179.7° |
| C15 | C9 | C10 | C12 | 4.7° | 0.4° |
| C9 | C15 | C14 | H16 | 63.7° | 68.7° |
| C9 | C15 | H17 | H18 | 119.2° | 119.5° |
| C15 | C9 | C8 | H25 | 4.3° | 0.2° |
| C14 | C15 | C9 | C10 | 17.9° | 17.6° |
| C15 | C14 | N2 | C13 | 122.4° | 118.9° |
| C15 | C14 | N2 | H16 | 119.2° | 120.6° |
| C15 | C14 | N2 | C16 | 159.3° | 86.1° |
| C15 | C14 | C13 | H16 | 117.4° | 119.7° |
| C15 | C14 | C13 | C12 | 67.6° | 69.9° |
| C15 | C14 | C13 | H14 | 172.5° | 49.8° |
| C15 | C14 | C13 | H15 | 52.3° | 170.4° |
| C14 | C15 | H17 | H18 | 119.2° | 119.2° |
| C15 | C14 | N2 | H28 | 20.7° | 93.9° |
| N1 | C | C5 | C1 | 116.9° | 113.2° |
| N1 | C | C5 | H8 | 119.1° | 122.6° |
| N1 | C | C1 | N | 54.9° | 63.6° |
| N1 | C | C1 | H8 | 123.6° | 124.5° |
| N1 | C | C5 | H3 | 94.6° | 92.9° |
| N1 | C | C5 | H4 | 143.8° | 144.9° |
| N1 | C | C1 | H9 | 174.9° | 176.6° |
| N1 | C | C1 | H10 | 65.1° | 56.1° |
| C | N1 | C3 | H24 | 166.1° | 165.0° |
| C9 | C10 | C11 | C6 | 0.3° | 0.1° |
| C9 | C10 | C11 | C12 | 179.8° | 179.9° |
| C9 | C10 | C12 | C13 | 8.8° | 17.7° |
| C9 | C10 | C11 | H11 | 179.8° | 179.9° |
| C9 | C10 | C12 | H12 | 129.4° | 137.9° |
| C9 | C10 | C12 | H13 | 111.8° | 102.6° |
| C10 | C9 | C15 | H17 | 138.2° | 103.0° |
| C10 | C9 | C15 | H18 | 102.3° | 137.6° |
| C10 | C9 | C8 | H25 | 178.7° | 179.5° |
| C5 | C | C1 | N | 57.7° | 47.6° |
| C5 | C | C1 | H8 | 123.9° | 124.2° |
| C | C5 | H3 | H4 | 122.3° | 122.2° |
| C | C5 | C4 | H5 | 115.8° | 118.8° |
| C | C5 | C4 | H6 | 122.6° | 118.8° |
| C5 | C | C1 | H9 | 62.4° | 72.2° |
| C5 | C | C1 | H10 | 177.7° | 167.4° |
| C5 | C | N1 | H26 | 164.8° | 161.6° |
| C6 | N | C1 | C | 131.6° | 69.1° |
| N | C6 | C11 | C10 | 177.7° | 179.9° |
| C6 | N | C2 | H1 | 12.2° | 171.0° |
| C6 | N | C2 | H2 | 107.3° | 50.9° |
| N | C6 | C7 | H7 | 2.5° | 0.2° |
| C6 | N | C1 | H9 | 11.6° | 50.7° |
| C6 | N | C1 | H10 | 108.4° | 171.1° |
| N | C6 | C11 | H11 | 2.4° | 0.1° |
| C11 | C6 | N | C1 | 14.3° | 152.6° |
| C6 | C11 | C10 | H11 | 180.0° | 180.0° |
| C6 | C11 | C10 | C12 | 179.5° | 179.7° |
| C11 | C6 | C7 | H7 | 178.7° | 179.6° |
| N | C1 | C | H9 | 120.0° | 119.8° |
| N | C1 | C | H10 | 120.0° | 119.8° |
| C1 | N | C2 | H1 | 157.1° | 64.6° |
| C1 | N | C2 | H2 | 83.4° | 175.3° |
| N | C1 | C | H8 | 178.5° | 171.9° |
| N | C1 | H9 | H10 | 119.9° | 120.3° |
| C14 | N2 | C16 | H28 | 180.0° | 180.0° |
| N2 | C14 | C13 | H16 | 118.8° | 120.5° |
| C14 | N2 | C16 | O | 9.1° | 0.0° |
| C14 | N2 | C16 | C17 | 170.1° | 180.0° |
| N2 | C14 | C13 | C12 | 168.7° | 170.3° |
| N2 | C14 | C13 | H14 | 48.8° | 69.9° |
| N2 | C14 | C13 | H15 | 71.5° | 50.6° |
| N2 | C14 | C15 | H17 | 63.1° | 50.3° |
| N2 | C14 | C15 | H18 | 56.4° | 69.0° |
| C16 | N2 | C14 | C13 | 78.3° | 155.0° |
| N2 | C16 | O | C17 | 179.3° | 180.0° |
| N2 | C16 | C17 | C18 | 173.3° | 180.0° |
| N2 | C16 | C17 | S | 8.6° | 0.0° |
| C16 | N2 | C14 | H16 | 40.1° | 34.5° |
| C14 | C13 | C12 | C10 | 43.8° | 51.2° |
| C14 | C13 | C12 | H14 | 119.9° | 119.8° |
| C14 | C13 | C12 | H15 | 119.9° | 119.7° |
| C14 | C13 | C12 | H12 | 164.5° | 171.5° |
| C14 | C13 | C12 | H13 | 76.8° | 69.1° |
| C14 | C13 | H14 | H15 | 120.4° | 120.5° |
| C13 | C14 | C15 | H17 | 174.1° | 69.4° |
| C13 | C14 | C15 | H18 | 66.4° | 171.3° |
| C13 | C14 | N2 | H28 | 101.7° | 25.0° |
| O | C16 | C17 | C18 | 7.4° | 0.0° |
| O | C16 | C17 | S | 170.7° | 180.0° |
| O | C16 | N2 | H28 | 170.9° | 180.0° |
| C16 | C17 | C18 | S | 178.3° | 180.0° |
| C16 | C17 | C18 | N4 | 1.8° | 0.1° |
| C16 | C17 | C18 | C19 | 177.9° | 180.0° |
| C16 | C17 | S | C23 | 177.7° | 180.0° |
| C17 | C16 | N2 | H28 | 9.8° | 0.1° |
| C17 | C18 | N4 | C19 | 179.7° | 180.0° |
| C18 | C17 | S | C23 | 0.6° | 0.0° |
| C17 | C18 | C19 | C23 | 0.1° | 0.0° |
| C17 | C18 | C19 | C20 | 178.6° | 180.0° |
| C17 | C18 | N4 | H29 | 180.0° | 0.1° |
| C17 | C18 | N4 | H30 | 60.0° | 180.0° |
| S | C17 | C18 | N4 | 179.9° | 180.0° |
| S | C17 | C18 | C19 | 0.4° | 0.0° |
| C17 | S | C23 | C19 | 0.6° | 0.1° |
| C17 | S | C23 | N3 | 177.9° | 180.0° |
| N4 | C18 | C19 | C23 | 179.7° | 179.9° |
| N4 | C18 | C19 | C20 | 1.1° | 0.0° |
| C18 | N4 | H29 | H30 | 120.0° | 179.9° |
| C1 | C | C5 | H3 | 148.5° | 153.9° |
| C1 | C | C5 | H4 | 26.9° | 31.7° |
| C | C1 | H9 | H10 | 119.9° | 120.3° |
| C1 | C | N1 | H26 | 46.2° | 47.9° |
| C18 | C19 | C23 | S | 0.5° | 0.1° |
| C18 | C19 | C23 | C20 | 178.8° | 180.0° |
| C18 | C19 | C23 | N3 | 178.0° | 180.0° |
| C18 | C19 | C20 | C21 | 177.8° | 180.0° |
| C18 | C19 | C20 | H19 | 2.2° | 0.0° |
| C19 | C18 | N4 | H29 | 0.3° | 179.9° |
| C19 | C18 | N4 | H30 | 119.7° | 0.0° |
| C11 | C10 | C12 | C13 | 170.9° | 162.5° |
| C11 | C10 | C12 | H12 | 50.3° | 42.2° |
| C11 | C10 | C12 | H13 | 68.4° | 77.3° |
| C10 | C12 | C13 | H12 | 120.6° | 120.3° |
| C10 | C12 | C13 | H13 | 120.6° | 120.3° |
| C12 | C10 | C11 | H11 | 0.5° | 0.3° |
| C10 | C12 | H12 | H13 | 118.0° | 119.5° |
| C10 | C12 | C13 | H14 | 163.7° | 68.6° |
| C10 | C12 | C13 | H15 | 76.0° | 170.9° |
| S | C23 | C19 | N3 | 178.4° | 179.9° |
| S | C23 | C19 | C20 | 179.3° | 180.0° |
| S | C23 | N3 | C22 | 178.5° | 180.0° |
| C23 | C19 | C20 | C21 | 0.7° | 0.0° |
| C19 | C23 | N3 | C22 | 0.2° | 0.1° |
| C23 | C19 | C20 | H19 | 179.3° | 179.9° |
| C20 | C19 | C23 | N3 | 0.8° | 0.0° |
| C19 | C20 | C21 | H19 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.0° | 0.1° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C23 | N3 | C22 | C21 | 0.6° | 0.1° |
| C23 | N3 | C22 | C24 | 179.0° | 180.0° |
| C20 | C21 | C22 | N3 | 0.7° | 0.1° |
| C20 | C21 | C22 | H20 | 180.0° | 179.9° |
| C20 | C21 | C22 | C24 | 178.8° | 180.0° |
| N3 | C22 | C21 | C24 | 179.6° | 179.9° |
| N3 | C22 | C21 | H20 | 179.3° | 180.0° |
| N3 | C22 | C24 | H21 | 0.0° | 90.0° |
| N3 | C22 | C24 | H22 | 120.0° | 150.0° |
| N3 | C22 | C24 | H23 | 120.0° | 30.0° |
| C22 | C21 | C20 | H19 | 180.0° | 179.9° |
| C21 | C22 | C24 | H21 | 179.6° | 90.1° |
| C21 | C22 | C24 | H22 | 59.6° | 30.0° |
| C21 | C22 | C24 | H23 | 60.4° | 149.9° |
| C24 | C22 | C21 | H20 | 1.2° | 0.0° |
| C22 | C24 | H21 | H22 | 120.0° | 120.0° |
| C22 | C24 | H21 | H23 | 120.0° | 120.0° |
| C22 | C24 | H22 | H23 | 120.0° | 120.0° |
| C13 | C12 | H12 | H13 | 118.1° | 119.4° |
| C12 | C13 | H14 | H15 | 120.4° | 120.5° |
| C12 | C13 | C14 | H16 | 49.9° | 49.8° |
| H1 | C2 | C3 | H24 | 63.4° | 68.2° |
| H2 | C2 | C3 | H24 | 56.1° | 52.0° |
| H3 | C5 | C4 | H5 | 3.4° | 122.5° |
| H3 | C5 | C4 | H6 | 118.3° | 0.0° |
| H3 | C5 | C | H8 | 24.5° | 29.7° |
| H4 | C5 | C4 | H5 | 125.0° | 0.1° |
| H4 | C5 | C4 | H6 | 3.4° | 122.3° |
| H4 | C5 | C | H8 | 97.1° | 92.5° |
| H5 | C4 | C3 | H24 | 30.4° | 92.7° |
| H6 | C4 | C3 | H24 | 91.3° | 29.7° |
| H7 | C7 | C8 | H25 | 0.1° | 0.0° |
| H8 | C | C1 | H9 | 61.5° | 52.1° |
| H8 | C | C1 | H10 | 58.4° | 68.4° |
| H8 | C | N1 | H26 | 76.9° | 76.2° |
| H12 | C12 | C13 | H14 | 75.7° | 51.7° |
| H12 | C12 | C13 | H15 | 44.6° | 68.8° |
| H13 | C12 | C13 | H14 | 43.1° | 171.1° |
| H13 | C12 | C13 | H15 | 163.4° | 50.6° |
| H14 | C13 | C14 | H16 | 70.0° | 169.6° |
| H15 | C13 | C14 | H16 | 169.7° | 69.9° |
| H16 | C14 | C15 | H17 | 56.6° | 170.9° |
| H16 | C14 | C15 | H18 | 176.1° | 51.5° |
| H16 | C14 | N2 | H28 | 139.9° | 145.5° |
| H19 | C20 | C21 | H20 | 0.0° | 0.0° |
| H21 | C24 | H22 | H23 | 119.9° | 120.0° |
| H24 | C3 | N1 | H26 | 74.7° | 76.1° |
