6PU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C24 | sing | 1.35Å | 1.35Å | |
| C23 | C24 | doub | 1.38Å | 1.37Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | N | sing | 1.47Å | 1.47Å | |
| C25 | C17 | sing | 1.51Å | 1.51Å | |
| C25 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.54Å | 1.54Å | |
| C17 | N1 | sing | 1.47Å | 1.48Å | |
| C3 | N1 | sing | 1.49Å | 1.47Å | |
| C3 | C2 | sing | 1.55Å | 1.52Å | |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| N | C2 | sing | 1.47Å | 1.48Å | |
| N | C | sing | 1.47Å | 1.47Å | |
| C20 | C19 | sing | 1.51Å | 1.50Å | |
| C18 | C19 | sing | 1.54Å | 1.53Å | |
| N1 | C4 | sing | 1.48Å | 1.47Å | |
| C2 | C5 | sing | 1.55Å | 1.56Å | |
| C4 | C5 | sing | 1.54Å | 1.53Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | N2 | sing | 1.40Å | 1.41Å | |
| N2 | C15 | sing | 1.46Å | 1.46Å | |
| N2 | C12 | sing | 1.47Å | 1.46Å | |
| C15 | C14 | sing | 1.53Å | 1.50Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C14 | N3 | sing | 1.47Å | 1.48Å | |
| C13 | N3 | sing | 1.47Å | 1.48Å | |
| N3 | S | sing | 1.66Å | 1.63Å | |
| S | C16 | sing | 1.81Å | 1.75Å | |
| S | O | doub | 1.42Å | 1.43Å | |
| S | O1 | doub | 1.42Å | 1.43Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C1 | H24 | sing | 1.09Å | 1.10Å | |
| C1 | H25 | sing | 1.09Å | 1.10Å | |
| C1 | H26 | sing | 1.09Å | 1.10Å | |
| C | H27 | sing | 1.09Å | 1.10Å | |
| C | H28 | sing | 1.09Å | 1.10Å | |
| C | H29 | sing | 1.09Å | 1.10Å | |
| C11 | H30 | sing | 1.08Å | 1.08Å | |
| C14 | H31 | sing | 1.09Å | 1.10Å | |
| C14 | H32 | sing | 1.09Å | 1.10Å | |
| C16 | H33 | sing | 1.09Å | 1.10Å | |
| C16 | H34 | sing | 1.09Å | 1.10Å | |
| C16 | H35 | sing | 1.09Å | 1.10Å | |
| C12 | H36 | sing | 1.09Å | 1.10Å | |
| C12 | H37 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C24 | C23 | 118.1° | 119.9° |
| F | C24 | C25 | 117.7° | 119.9° |
| C24 | C23 | C22 | 118.3° | 119.9° |
| C23 | C24 | C25 | 124.1° | 120.1° |
| C24 | C23 | H15 | 120.9° | 120.0° |
| C23 | C22 | C21 | 119.9° | 120.0° |
| C23 | C22 | H14 | 120.0° | 120.0° |
| C22 | C23 | H15 | 120.8° | 120.1° |
| C24 | C25 | C17 | 133.6° | 130.4° |
| C24 | C25 | C20 | 116.6° | 119.8° |
| C22 | C21 | C20 | 120.6° | 120.3° |
| C22 | C21 | H13 | 119.7° | 119.9° |
| C21 | C22 | H14 | 120.0° | 120.0° |
| C1 | N | C2 | 113.9° | 111.0° |
| C1 | N | C | 111.2° | 111.0° |
| N | C1 | H24 | 109.5° | 109.5° |
| N | C1 | H25 | 109.5° | 109.5° |
| N | C1 | H26 | 109.5° | 109.5° |
| C17 | C25 | C20 | 109.8° | 109.8° |
| C25 | C17 | C18 | 101.3° | 105.2° |
| C25 | C17 | N1 | 111.2° | 110.3° |
| C25 | C17 | H12 | 109.6° | 110.4° |
| C25 | C20 | C21 | 120.5° | 119.9° |
| C25 | C20 | C19 | 110.3° | 109.8° |
| C18 | C17 | N1 | 114.9° | 110.2° |
| C17 | C18 | C19 | 104.6° | 102.4° |
| C18 | C17 | H12 | 109.3° | 110.3° |
| C17 | C18 | H18 | 110.7° | 110.8° |
| C17 | C18 | H19 | 110.7° | 110.8° |
| C17 | N1 | C3 | 115.2° | 111.0° |
| C17 | N1 | C4 | 113.8° | 111.0° |
| N1 | C17 | H12 | 110.1° | 110.3° |
| N1 | C3 | C2 | 102.8° | 103.2° |
| C3 | N1 | C4 | 100.7° | 105.8° |
| N1 | C3 | H20 | 111.1° | 110.6° |
| N1 | C3 | H21 | 111.1° | 110.6° |
| C3 | C2 | N | 114.2° | 110.7° |
| C3 | C2 | C5 | 104.7° | 102.9° |
| C2 | C3 | H20 | 111.1° | 110.7° |
| C2 | C3 | H21 | 111.1° | 110.7° |
| C3 | C2 | H22 | 108.4° | 110.7° |
| C21 | C20 | C19 | 129.2° | 130.4° |
| C20 | C21 | H13 | 119.7° | 119.9° |
| C2 | N | C | 112.2° | 111.0° |
| N | C2 | C5 | 112.3° | 110.7° |
| N | C2 | H22 | 109.1° | 110.8° |
| N | C | H27 | 109.5° | 109.5° |
| N | C | H28 | 109.5° | 109.5° |
| N | C | H29 | 109.5° | 109.4° |
| C20 | C19 | C18 | 102.2° | 105.2° |
| C20 | C19 | H16 | 111.3° | 110.3° |
| C20 | C19 | H17 | 111.2° | 110.4° |
| C18 | C19 | H16 | 111.3° | 110.2° |
| C18 | C19 | H17 | 111.3° | 110.4° |
| C19 | C18 | H18 | 110.7° | 110.8° |
| C19 | C18 | H19 | 110.7° | 110.9° |
| N1 | C4 | C5 | 104.3° | 107.1° |
| N1 | C4 | H2 | 110.7° | 109.8° |
| N1 | C4 | H3 | 110.7° | 109.9° |
| C2 | C5 | C4 | 101.8° | 105.1° |
| C2 | C5 | C6 | 113.4° | 110.3° |
| C2 | C5 | H4 | 108.9° | 110.4° |
| C5 | C2 | H22 | 107.9° | 110.7° |
| C4 | C5 | C6 | 113.7° | 110.3° |
| C5 | C4 | H2 | 110.8° | 109.9° |
| C5 | C4 | H3 | 110.7° | 110.0° |
| C4 | C5 | H4 | 109.3° | 110.3° |
| C5 | C6 | C7 | 120.9° | 120.0° |
| C5 | C6 | C11 | 120.9° | 119.9° |
| C6 | C5 | H4 | 109.5° | 110.3° |
| C7 | C6 | C11 | 118.2° | 120.1° |
| C6 | C7 | C8 | 121.3° | 120.1° |
| C6 | C7 | H5 | 119.4° | 119.9° |
| C6 | C11 | C10 | 121.2° | 120.1° |
| C6 | C11 | H30 | 119.4° | 120.0° |
| C7 | C8 | C9 | 120.7° | 119.9° |
| C8 | C7 | H5 | 119.4° | 120.0° |
| C7 | C8 | H6 | 119.6° | 120.1° |
| C11 | C10 | C9 | 120.6° | 120.0° |
| C11 | C10 | H7 | 119.7° | 120.0° |
| C10 | C11 | H30 | 119.4° | 120.0° |
| C8 | C9 | C10 | 118.0° | 119.8° |
| C8 | C9 | N2 | 120.5° | 120.1° |
| C9 | C8 | H6 | 119.7° | 120.0° |
| C10 | C9 | N2 | 121.5° | 120.1° |
| C9 | C10 | H7 | 119.7° | 120.0° |
| C9 | N2 | C15 | 115.0° | 111.0° |
| C9 | N2 | C12 | 119.8° | 110.9° |
| C15 | N2 | C12 | 107.2° | 111.1° |
| N2 | C15 | C14 | 110.3° | 109.4° |
| N2 | C15 | H10 | 109.3° | 109.4° |
| N2 | C15 | H11 | 109.3° | 109.6° |
| N2 | C12 | C13 | 111.0° | 109.4° |
| N2 | C12 | H36 | 109.1° | 109.5° |
| N2 | C12 | H37 | 109.1° | 109.4° |
| C15 | C14 | N3 | 110.1° | 108.5° |
| C14 | C15 | H10 | 109.3° | 109.5° |
| C14 | C15 | H11 | 109.3° | 109.5° |
| C15 | C14 | H31 | 109.3° | 109.6° |
| C15 | C14 | H32 | 109.3° | 109.6° |
| C12 | C13 | N3 | 110.7° | 108.5° |
| C12 | C13 | H8 | 109.2° | 109.6° |
| C12 | C13 | H9 | 109.2° | 109.8° |
| C13 | C12 | H36 | 109.1° | 109.4° |
| C13 | C12 | H37 | 109.1° | 109.7° |
| C14 | N3 | C13 | 113.7° | 118.3° |
| C14 | N3 | S | 125.8° | 120.8° |
| N3 | C14 | H31 | 109.3° | 109.6° |
| N3 | C14 | H32 | 109.3° | 109.7° |
| C13 | N3 | S | 119.1° | 120.9° |
| N3 | C13 | H8 | 109.2° | 109.7° |
| N3 | C13 | H9 | 109.2° | 109.7° |
| N3 | S | C16 | 107.9° | 104.5° |
| N3 | S | O | 107.0° | 104.3° |
| N3 | S | O1 | 106.4° | 104.3° |
| C16 | S | O | 108.4° | 110.5° |
| C16 | S | O1 | 108.1° | 110.5° |
| S | C16 | H33 | 109.5° | 109.4° |
| S | C16 | H34 | 109.5° | 109.5° |
| S | C16 | H35 | 109.5° | 109.5° |
| O | S | O1 | 118.6° | 121.1° |
| H2 | C4 | H3 | 109.5° | 110.1° |
| H8 | C13 | H9 | 109.5° | 109.6° |
| H10 | C15 | H11 | 109.5° | 109.5° |
| H16 | C19 | H17 | 109.5° | 110.3° |
| H18 | C18 | H19 | 109.5° | 110.9° |
| H20 | C3 | H21 | 109.5° | 110.8° |
| H24 | C1 | H25 | 109.5° | 109.5° |
| H24 | C1 | H26 | 109.5° | 109.4° |
| H25 | C1 | H26 | 109.5° | 109.4° |
| H27 | C | H28 | 109.4° | 109.5° |
| H27 | C | H29 | 109.5° | 109.5° |
| H28 | C | H29 | 109.5° | 109.5° |
| H31 | C14 | H32 | 109.5° | 109.8° |
| H33 | C16 | H34 | 109.4° | 109.5° |
| H33 | C16 | H35 | 109.4° | 109.5° |
| H34 | C16 | H35 | 109.5° | 109.5° |
| H36 | C12 | H37 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C24 | C23 | C25 | 178.4° | 179.9° |
| F | C24 | C23 | C22 | 177.9° | 180.0° |
| F | C24 | C25 | C17 | 0.9° | 0.0° |
| F | C24 | C25 | C20 | 178.8° | 180.0° |
| F | C24 | C23 | H15 | 2.1° | 0.1° |
| C24 | C23 | C22 | H15 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 0.4° | 0.1° |
| C23 | C24 | C25 | C17 | 177.5° | 179.9° |
| C23 | C24 | C25 | C20 | 0.4° | 0.1° |
| C24 | C23 | C22 | H14 | 179.6° | 180.0° |
| C22 | C23 | C24 | C25 | 0.5° | 0.1° |
| C23 | C22 | C21 | H14 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 0.6° | 0.0° |
| C23 | C22 | C21 | H13 | 179.4° | 180.0° |
| C24 | C25 | C17 | C20 | 178.0° | 180.0° |
| C24 | C25 | C17 | C18 | 158.0° | 162.8° |
| C24 | C25 | C17 | N1 | 79.3° | 78.3° |
| C24 | C25 | C20 | C21 | 1.3° | 0.0° |
| C24 | C25 | C20 | C19 | 177.1° | 179.9° |
| C24 | C25 | C17 | H12 | 42.7° | 43.8° |
| C25 | C24 | C23 | H15 | 179.5° | 180.0° |
| C22 | C21 | C20 | C25 | 1.5° | 0.1° |
| C22 | C21 | C20 | H13 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 176.6° | 179.9° |
| C21 | C22 | C23 | H15 | 179.6° | 180.0° |
| C1 | N | C2 | C3 | 48.8° | 56.5° |
| C1 | N | C2 | C | 127.4° | 124.0° |
| C1 | N | C2 | C5 | 167.8° | 170.0° |
| C1 | N | C2 | H22 | 72.7° | 66.8° |
| N | C1 | H24 | H25 | 120.0° | 120.1° |
| N | C1 | H24 | H26 | 120.0° | 120.0° |
| N | C1 | H25 | H26 | 120.0° | 120.0° |
| C1 | N | C | H27 | 180.0° | 176.1° |
| C1 | N | C | H28 | 60.0° | 56.0° |
| C1 | N | C | H29 | 60.0° | 64.0° |
| C25 | C17 | C18 | N1 | 120.1° | 118.9° |
| C25 | C17 | C18 | H12 | 115.7° | 119.1° |
| C25 | C17 | N1 | H12 | 121.7° | 122.2° |
| C25 | C17 | N1 | C3 | 63.2° | 67.0° |
| C17 | C25 | C20 | C21 | 177.1° | 180.0° |
| C17 | C25 | C20 | C19 | 4.5° | 0.1° |
| C25 | C17 | C18 | C19 | 33.7° | 26.3° |
| C25 | C17 | N1 | C4 | 178.8° | 175.7° |
| C25 | C17 | C18 | H18 | 85.6° | 91.9° |
| C25 | C17 | C18 | H19 | 152.9° | 144.6° |
| C20 | C25 | C17 | C18 | 23.9° | 17.2° |
| C20 | C25 | C17 | N1 | 98.7° | 101.7° |
| C25 | C20 | C21 | C19 | 178.1° | 179.9° |
| C25 | C20 | C19 | C18 | 17.0° | 17.1° |
| C20 | C25 | C17 | H12 | 139.3° | 136.2° |
| C25 | C20 | C21 | H13 | 178.6° | 180.0° |
| C25 | C20 | C19 | H16 | 101.8° | 101.8° |
| C25 | C20 | C19 | H17 | 135.8° | 136.2° |
| C18 | C17 | N1 | H12 | 123.9° | 122.1° |
| C18 | C17 | N1 | C3 | 177.6° | 177.3° |
| C17 | C18 | C19 | C20 | 31.3° | 26.2° |
| C17 | C18 | C19 | H18 | 119.2° | 118.2° |
| C17 | C18 | C19 | H19 | 119.2° | 118.3° |
| C18 | C17 | N1 | C4 | 66.8° | 59.9° |
| C17 | C18 | C19 | H16 | 87.5° | 92.6° |
| C17 | C18 | C19 | H17 | 150.1° | 145.3° |
| C17 | C18 | H18 | H19 | 122.3° | 123.5° |
| C17 | N1 | C3 | C4 | 122.9° | 120.5° |
| C17 | N1 | C3 | C2 | 171.2° | 159.7° |
| N1 | C17 | C18 | C19 | 86.4° | 92.6° |
| C17 | N1 | C4 | C5 | 173.0° | 145.8° |
| C17 | N1 | C4 | H2 | 67.8° | 94.8° |
| C17 | N1 | C4 | H3 | 53.8° | 26.4° |
| N1 | C17 | C18 | H18 | 154.4° | 149.2° |
| N1 | C17 | C18 | H19 | 32.8° | 25.7° |
| C17 | N1 | C3 | H20 | 52.3° | 41.3° |
| C17 | N1 | C3 | H21 | 69.9° | 81.9° |
| N1 | C3 | C2 | H20 | 118.9° | 118.4° |
| N1 | C3 | C2 | H21 | 118.9° | 118.4° |
| N1 | C3 | C2 | N | 152.5° | 155.8° |
| N1 | C3 | C2 | C5 | 29.4° | 37.4° |
| C3 | N1 | C4 | C5 | 49.2° | 25.4° |
| C3 | N1 | C4 | H2 | 168.4° | 144.7° |
| C3 | N1 | C4 | H3 | 70.0° | 94.0° |
| C3 | N1 | C17 | H12 | 58.5° | 55.2° |
| N1 | C3 | H20 | H21 | 123.1° | 123.1° |
| N1 | C3 | C2 | H22 | 85.6° | 80.9° |
| C3 | C2 | N | C5 | 119.0° | 113.5° |
| C3 | C2 | N | H22 | 121.5° | 123.3° |
| C3 | C2 | N | C | 176.2° | 179.6° |
| C2 | C3 | N1 | C4 | 48.3° | 39.2° |
| C3 | C2 | C5 | H22 | 115.3° | 118.4° |
| C3 | C2 | C5 | C4 | 0.0° | 21.9° |
| C3 | C2 | C5 | C6 | 122.5° | 140.9° |
| C3 | C2 | C5 | H4 | 115.4° | 97.0° |
| C2 | C3 | H20 | H21 | 123.1° | 123.2° |
| C21 | C20 | C19 | C18 | 161.2° | 162.8° |
| C20 | C21 | C22 | H14 | 179.4° | 180.0° |
| C21 | C20 | C19 | H16 | 79.9° | 78.4° |
| C21 | C20 | C19 | H17 | 42.4° | 43.7° |
| N | C2 | C5 | H22 | 120.2° | 123.2° |
| N | C2 | C5 | C4 | 124.5° | 140.3° |
| N | C2 | C5 | C6 | 113.1° | 100.7° |
| N | C2 | C5 | H4 | 9.1° | 21.4° |
| N | C2 | C3 | H20 | 33.6° | 37.4° |
| N | C2 | C3 | H21 | 88.6° | 85.8° |
| C2 | N | C1 | H24 | 180.0° | 54.3° |
| C2 | N | C1 | H25 | 60.0° | 174.4° |
| C2 | N | C1 | H26 | 60.0° | 65.7° |
| C2 | N | C | H27 | 51.2° | 59.9° |
| C2 | N | C | H28 | 171.1° | 180.0° |
| C2 | N | C | H29 | 68.9° | 60.0° |
| C | N | C2 | C5 | 64.8° | 66.0° |
| C | N | C2 | H22 | 54.7° | 57.2° |
| C | N | C1 | H24 | 52.1° | 69.7° |
| C | N | C1 | H25 | 172.1° | 50.4° |
| C | N | C1 | H26 | 67.9° | 170.3° |
| N | C | H27 | H28 | 120.0° | 120.1° |
| N | C | H27 | H29 | 120.0° | 119.9° |
| N | C | H28 | H29 | 120.0° | 120.0° |
| C20 | C19 | C18 | H16 | 118.8° | 118.9° |
| C20 | C19 | C18 | H17 | 118.8° | 119.1° |
| C19 | C20 | C21 | H13 | 3.4° | 0.1° |
| C20 | C19 | H16 | H17 | 123.4° | 122.1° |
| C20 | C19 | C18 | H18 | 87.9° | 91.9° |
| C20 | C19 | C18 | H19 | 150.5° | 144.5° |
| C19 | C18 | C17 | H12 | 149.3° | 145.4° |
| C18 | C19 | H16 | H17 | 123.4° | 122.1° |
| C19 | C18 | H18 | H19 | 122.2° | 123.6° |
| N1 | C4 | C5 | C2 | 29.7° | 1.3° |
| N1 | C4 | C5 | H2 | 119.2° | 119.3° |
| N1 | C4 | C5 | H3 | 119.2° | 119.4° |
| N1 | C4 | C5 | C6 | 92.6° | 117.6° |
| N1 | C4 | H2 | H3 | 122.4° | 121.2° |
| N1 | C4 | C5 | H4 | 144.7° | 120.3° |
| C4 | N1 | C17 | H12 | 57.1° | 62.1° |
| C4 | N1 | C3 | H20 | 70.6° | 79.2° |
| C4 | N1 | C3 | H21 | 167.2° | 157.6° |
| C2 | C5 | C4 | C6 | 122.3° | 118.9° |
| C2 | C5 | C4 | H4 | 115.1° | 119.0° |
| C2 | C5 | C6 | H4 | 121.8° | 122.2° |
| C2 | C5 | C6 | C7 | 51.3° | 122.8° |
| C2 | C5 | C6 | C11 | 129.5° | 56.9° |
| C2 | C5 | C4 | H2 | 148.8° | 120.6° |
| C2 | C5 | C4 | H3 | 89.5° | 118.1° |
| C5 | C2 | C3 | H20 | 89.6° | 81.0° |
| C5 | C2 | C3 | H21 | 148.3° | 155.8° |
| C4 | C5 | C6 | H4 | 122.6° | 122.1° |
| C4 | C5 | C6 | C7 | 64.3° | 121.4° |
| C4 | C5 | C6 | C11 | 114.8° | 58.8° |
| C5 | C4 | H2 | H3 | 122.4° | 121.2° |
| C4 | C5 | C2 | H22 | 115.3° | 96.4° |
| C5 | C6 | C7 | C11 | 179.1° | 179.7° |
| C5 | C6 | C7 | C8 | 179.0° | 180.0° |
| C5 | C6 | C11 | C10 | 177.9° | 180.0° |
| C6 | C5 | C4 | H2 | 26.6° | 1.6° |
| C6 | C5 | C4 | H3 | 148.2° | 122.9° |
| C5 | C6 | C7 | H5 | 1.0° | 0.1° |
| C6 | C5 | C2 | H22 | 7.1° | 22.5° |
| C5 | C6 | C11 | H30 | 2.1° | 0.0° |
| C6 | C7 | C8 | H5 | 180.0° | 179.9° |
| C7 | C6 | C11 | C10 | 1.2° | 0.3° |
| C6 | C7 | C8 | C9 | 1.1° | 0.0° |
| C7 | C6 | C5 | H4 | 173.2° | 0.6° |
| C6 | C7 | C8 | H6 | 178.9° | 180.0° |
| C7 | C6 | C11 | H30 | 178.8° | 179.7° |
| C11 | C6 | C7 | C8 | 0.1° | 0.3° |
| C6 | C11 | C10 | H30 | 180.0° | 180.0° |
| C6 | C11 | C10 | C9 | 1.1° | 0.0° |
| C11 | C6 | C5 | H4 | 7.7° | 179.1° |
| C11 | C6 | C7 | H5 | 179.9° | 179.8° |
| C6 | C11 | C10 | H7 | 178.9° | 179.7° |
| C7 | C8 | C9 | H6 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 1.2° | 0.2° |
| C7 | C8 | C9 | N2 | 176.5° | 180.0° |
| C11 | C10 | C9 | C8 | 0.2° | 0.2° |
| C11 | C10 | C9 | H7 | 180.0° | 179.7° |
| C11 | C10 | C9 | N2 | 177.5° | 179.9° |
| C8 | C9 | C10 | N2 | 177.7° | 179.8° |
| C8 | C9 | N2 | C15 | 51.0° | 180.0° |
| C8 | C9 | N2 | C12 | 178.9° | 55.9° |
| C9 | C8 | C7 | H5 | 178.9° | 180.0° |
| C8 | C9 | C10 | H7 | 179.8° | 180.0° |
| C10 | C9 | N2 | C15 | 126.6° | 0.2° |
| C10 | C9 | N2 | C12 | 3.5° | 124.3° |
| C10 | C9 | C8 | H6 | 178.8° | 179.8° |
| C9 | C10 | C11 | H30 | 178.9° | 180.0° |
| C9 | N2 | C15 | C12 | 136.0° | 123.9° |
| C9 | N2 | C15 | C14 | 159.1° | 172.7° |
| C9 | N2 | C12 | C13 | 163.7° | 172.7° |
| N2 | C9 | C8 | H6 | 3.5° | 0.0° |
| N2 | C9 | C10 | H7 | 2.5° | 0.2° |
| C9 | N2 | C15 | H10 | 39.0° | 52.8° |
| C9 | N2 | C15 | H11 | 80.8° | 67.2° |
| C9 | N2 | C12 | H36 | 76.1° | 52.9° |
| C9 | N2 | C12 | H37 | 43.4° | 67.1° |
| N2 | C15 | C14 | H10 | 120.1° | 119.9° |
| N2 | C15 | C14 | H11 | 120.1° | 120.1° |
| C15 | N2 | C12 | C13 | 62.8° | 63.3° |
| N2 | C15 | C14 | N3 | 58.8° | 53.9° |
| N2 | C15 | H10 | H11 | 119.7° | 120.1° |
| N2 | C15 | C14 | H31 | 61.3° | 173.6° |
| N2 | C15 | C14 | H32 | 178.9° | 65.8° |
| C15 | N2 | C12 | H36 | 57.4° | 176.9° |
| C15 | N2 | C12 | H37 | 176.9° | 56.9° |
| C12 | N2 | C15 | C14 | 64.9° | 63.3° |
| N2 | C12 | C13 | H36 | 120.3° | 119.9° |
| N2 | C12 | C13 | H37 | 120.2° | 120.0° |
| N2 | C12 | C13 | N3 | 54.9° | 53.8° |
| N2 | C12 | C13 | H8 | 175.1° | 65.9° |
| N2 | C12 | C13 | H9 | 65.3° | 173.7° |
| C12 | N2 | C15 | H10 | 175.0° | 176.8° |
| C12 | N2 | C15 | H11 | 55.2° | 56.7° |
| N2 | C12 | H36 | H37 | 119.3° | 120.0° |
| C15 | C14 | N3 | H31 | 120.1° | 119.7° |
| C15 | C14 | N3 | H32 | 120.1° | 119.7° |
| C15 | C14 | N3 | C13 | 50.7° | 50.9° |
| C15 | C14 | N3 | S | 142.8° | 128.8° |
| C14 | C15 | H10 | H11 | 119.6° | 120.0° |
| C15 | C14 | H31 | H32 | 119.7° | 120.5° |
| C12 | C13 | N3 | C14 | 48.7° | 51.0° |
| C12 | C13 | N3 | H8 | 120.2° | 119.7° |
| C12 | C13 | N3 | H9 | 120.2° | 119.9° |
| C12 | C13 | N3 | S | 143.8° | 128.8° |
| C12 | C13 | H8 | H9 | 119.4° | 120.5° |
| C13 | C12 | H36 | H37 | 119.3° | 120.2° |
| C14 | N3 | C13 | S | 167.5° | 179.8° |
| C14 | N3 | S | C16 | 30.4° | 90.2° |
| C14 | N3 | S | O | 146.9° | 25.8° |
| C14 | N3 | S | O1 | 85.3° | 153.7° |
| C14 | N3 | C13 | H8 | 168.9° | 68.7° |
| C14 | N3 | C13 | H9 | 71.5° | 170.9° |
| N3 | C14 | C15 | H10 | 178.9° | 173.8° |
| N3 | C14 | C15 | H11 | 61.3° | 66.2° |
| N3 | C14 | H31 | H32 | 119.7° | 120.6° |
| C13 | N3 | S | C16 | 163.7° | 90.0° |
| C13 | N3 | S | O | 47.2° | 154.0° |
| C13 | N3 | S | O1 | 80.5° | 26.1° |
| N3 | C13 | H8 | H9 | 119.4° | 120.5° |
| C13 | N3 | C14 | H31 | 69.4° | 170.6° |
| C13 | N3 | C14 | H32 | 170.7° | 68.7° |
| N3 | C13 | C12 | H36 | 65.4° | 173.7° |
| N3 | C13 | C12 | H37 | 175.1° | 66.2° |
| N3 | S | C16 | O | 115.6° | 111.6° |
| N3 | S | C16 | O1 | 114.6° | 111.6° |
| N3 | S | O | O1 | 120.2° | 116.7° |
| S | N3 | C13 | H8 | 23.6° | 111.5° |
| S | N3 | C13 | H9 | 96.0° | 8.9° |
| S | N3 | C14 | H31 | 97.1° | 9.2° |
| S | N3 | C14 | H32 | 22.7° | 111.5° |
| N3 | S | C16 | H33 | 180.0° | 60.0° |
| N3 | S | C16 | H34 | 60.0° | 180.0° |
| N3 | S | C16 | H35 | 60.0° | 60.0° |
| C16 | S | O | O1 | 123.6° | 131.5° |
| S | C16 | H33 | H34 | 120.0° | 120.0° |
| S | C16 | H33 | H35 | 120.0° | 120.0° |
| S | C16 | H34 | H35 | 120.0° | 120.0° |
| O | S | C16 | H33 | 64.4° | 51.6° |
| O | S | C16 | H34 | 175.6° | 68.4° |
| O | S | C16 | H35 | 55.6° | 171.6° |
| O1 | S | C16 | H33 | 65.4° | 171.6° |
| O1 | S | C16 | H34 | 54.6° | 68.4° |
| O1 | S | C16 | H35 | 174.7° | 51.6° |
| H2 | C4 | C5 | H4 | 96.1° | 120.5° |
| H3 | C4 | C5 | H4 | 25.6° | 0.8° |
| H4 | C5 | C2 | H22 | 129.3° | 144.6° |
| H5 | C7 | C8 | H6 | 1.1° | 0.0° |
| H7 | C10 | C11 | H30 | 1.1° | 0.3° |
| H8 | C13 | C12 | H36 | 54.8° | 54.0° |
| H8 | C13 | C12 | H37 | 64.7° | 174.1° |
| H9 | C13 | C12 | H36 | 174.4° | 66.5° |
| H9 | C13 | C12 | H37 | 54.9° | 53.6° |
| H10 | C15 | C14 | H31 | 58.8° | 66.5° |
| H10 | C15 | C14 | H32 | 61.0° | 54.1° |
| H11 | C15 | C14 | H31 | 178.6° | 53.5° |
| H11 | C15 | C14 | H32 | 58.8° | 174.1° |
| H12 | C17 | C18 | H18 | 30.1° | 27.2° |
| H12 | C17 | C18 | H19 | 91.5° | 96.3° |
| H13 | C21 | C22 | H14 | 0.6° | 0.0° |
| H14 | C22 | C23 | H15 | 0.4° | 0.0° |
| H16 | C19 | C18 | H18 | 153.3° | 149.2° |
| H16 | C19 | C18 | H19 | 31.7° | 25.6° |
| H17 | C19 | C18 | H18 | 30.9° | 27.1° |
| H17 | C19 | C18 | H19 | 90.7° | 96.4° |
| H20 | C3 | C2 | H22 | 155.4° | 160.7° |
| H21 | C3 | C2 | H22 | 33.3° | 37.5° |
| H24 | C1 | H25 | H26 | 120.0° | 119.9° |
| H27 | C | H28 | H29 | 120.0° | 120.0° |
| H33 | C16 | H34 | H35 | 120.0° | 120.0° |
