P6M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.52Å | 1.52Å | |
| C12 | S | sing | 1.82Å | 1.83Å | |
| C11 | C10 | sing | 1.51Å | 1.55Å | |
| F1 | C7 | sing | 1.35Å | 1.35Å | |
| S | C13 | sing | 1.76Å | 1.75Å | |
| C7 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | C6 | sing | 1.52Å | 1.53Å | |
| C10 | C15 | sing | 1.53Å | 1.53Å | |
| C10 | N1 | sing | 1.44Å | 1.47Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | N1 | doub | 1.28Å | 1.26Å | |
| C13 | N2 | sing | 1.37Å | 1.34Å | |
| C9 | F | sing | 1.35Å | 1.35Å | |
| C9 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| F2 | C16 | sing | 1.40Å | 1.33Å | |
| N | C3 | sing | 1.47Å | 1.47Å | |
| N | C1 | sing | 1.47Å | 1.49Å | |
| C | C1 | sing | 1.53Å | 1.49Å | |
| C | C2 | sing | 1.53Å | 1.50Å | |
| C1 | C16 | sing | 1.53Å | 1.51Å | |
| C1 | C2 | sing | 1.53Å | 1.49Å | |
| C16 | F3 | sing | 1.40Å | 1.33Å | |
| C16 | F4 | sing | 1.40Å | 1.33Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| N | H5 | sing | 1.01Å | 1.00Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.10Å | 1.10Å | |
| C11 | H12 | sing | 1.10Å | 1.10Å | |
| C12 | H13 | sing | 1.10Å | 1.10Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C12 | C11 | 112.0° | 111.9° |
| C14 | C12 | S | 106.0° | 110.0° |
| C14 | C12 | H13 | 110.3° | 108.6° |
| C12 | C14 | H19 | 109.5° | 109.4° |
| C12 | C14 | H20 | 109.5° | 109.5° |
| C12 | C14 | H21 | 109.4° | 109.5° |
| C11 | C12 | S | 111.0° | 108.6° |
| C12 | C11 | C10 | 112.9° | 114.6° |
| C12 | C11 | H11 | 108.6° | 108.9° |
| C12 | C11 | H12 | 108.6° | 108.9° |
| C11 | C12 | H13 | 110.3° | 109.1° |
| C12 | S | C13 | 100.0° | 97.9° |
| S | C12 | H13 | 106.8° | 108.5° |
| C11 | C10 | C6 | 110.3° | 107.4° |
| C11 | C10 | C15 | 110.4° | 109.4° |
| C11 | C10 | N1 | 108.5° | 117.0° |
| C10 | C11 | H11 | 108.6° | 108.8° |
| C10 | C11 | H12 | 108.6° | 108.8° |
| F1 | C7 | C8 | 117.8° | 120.0° |
| F1 | C7 | C6 | 118.5° | 120.0° |
| S | C13 | N1 | 129.3° | 121.5° |
| S | C13 | N2 | 111.9° | 118.7° |
| C8 | C7 | C6 | 123.7° | 119.9° |
| C7 | C8 | C9 | 117.1° | 120.0° |
| C7 | C8 | H1 | 121.4° | 120.0° |
| C7 | C6 | C10 | 124.4° | 119.9° |
| C7 | C6 | C5 | 116.3° | 120.0° |
| C8 | C9 | F | 118.8° | 120.0° |
| C8 | C9 | C4 | 123.4° | 120.0° |
| C9 | C8 | H1 | 121.5° | 120.0° |
| C6 | C10 | C15 | 110.8° | 106.8° |
| C6 | C10 | N1 | 108.3° | 107.0° |
| C10 | C6 | C5 | 119.3° | 120.0° |
| C15 | C10 | N1 | 108.4° | 108.8° |
| C10 | C15 | H16 | 109.5° | 109.5° |
| C10 | C15 | H17 | 109.4° | 109.5° |
| C10 | C15 | H18 | 109.4° | 109.5° |
| C10 | N1 | C13 | 125.6° | 129.5° |
| C6 | C5 | C4 | 122.5° | 120.1° |
| C6 | C5 | H2 | 118.8° | 120.0° |
| N1 | C13 | N2 | 118.8° | 119.8° |
| C13 | N2 | H14 | 120.0° | 120.0° |
| C13 | N2 | H15 | 120.0° | 120.0° |
| F | C9 | C4 | 117.8° | 120.0° |
| C9 | C4 | C5 | 117.1° | 120.0° |
| C9 | C4 | C3 | 121.7° | 120.0° |
| C5 | C4 | C3 | 121.2° | 120.0° |
| C4 | C5 | H2 | 118.8° | 119.9° |
| C4 | C3 | N | 113.2° | 109.5° |
| C4 | C3 | H3 | 108.5° | 109.5° |
| C4 | C3 | H4 | 108.5° | 109.5° |
| F2 | C16 | C1 | 112.0° | 109.5° |
| F2 | C16 | F3 | 106.9° | 109.5° |
| F2 | C16 | F4 | 106.8° | 109.5° |
| C3 | N | C1 | 116.5° | 111.0° |
| N | C3 | H3 | 108.5° | 109.4° |
| N | C3 | H4 | 108.5° | 109.5° |
| C3 | N | H5 | 107.7° | 111.0° |
| N | C1 | C | 117.2° | 117.5° |
| N | C1 | C16 | 114.5° | 115.5° |
| N | C1 | C2 | 115.7° | 117.5° |
| C1 | N | H5 | 107.7° | 111.0° |
| C1 | C | C2 | 59.7° | 60.0° |
| C | C1 | C16 | 118.7° | 117.5° |
| C | C1 | C2 | 60.5° | 60.0° |
| C1 | C | H9 | 120.1° | 117.5° |
| C1 | C | H10 | 120.0° | 117.5° |
| C | C2 | C1 | 59.8° | 60.0° |
| C | C2 | H7 | 120.0° | 117.5° |
| C | C2 | H8 | 120.0° | 117.5° |
| C2 | C | H9 | 120.1° | 117.6° |
| C2 | C | H10 | 120.0° | 117.5° |
| C16 | C1 | C2 | 119.9° | 117.5° |
| C1 | C16 | F3 | 111.9° | 109.4° |
| C1 | C16 | F4 | 112.0° | 109.5° |
| C1 | C2 | H7 | 120.1° | 117.5° |
| C1 | C2 | H8 | 120.1° | 117.5° |
| F3 | C16 | F4 | 106.9° | 109.4° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| H7 | C2 | H8 | 109.4° | 115.5° |
| H9 | C | H10 | 109.5° | 115.5° |
| H11 | C11 | H12 | 109.5° | 106.6° |
| H14 | N2 | H15 | 120.0° | 120.0° |
| H16 | C15 | H17 | 109.5° | 109.4° |
| H16 | C15 | H18 | 109.5° | 109.5° |
| H17 | C15 | H18 | 109.5° | 109.5° |
| H19 | C14 | H20 | 109.5° | 109.5° |
| H19 | C14 | H21 | 109.5° | 109.5° |
| H20 | C14 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C12 | C11 | S | 118.4° | 121.7° |
| C14 | C12 | C11 | H13 | 123.4° | 120.3° |
| C14 | C12 | S | H13 | 117.7° | 118.7° |
| C14 | C12 | C11 | C10 | 178.7° | 63.0° |
| C14 | C12 | S | C13 | 150.6° | 66.4° |
| C14 | C12 | C11 | H11 | 60.8° | 174.9° |
| C14 | C12 | C11 | H12 | 58.2° | 59.1° |
| C12 | C14 | H19 | H20 | 120.0° | 120.0° |
| C12 | C14 | H19 | H21 | 120.0° | 119.9° |
| C12 | C14 | H20 | H21 | 120.0° | 120.0° |
| C11 | C12 | S | H13 | 120.4° | 118.5° |
| C12 | C11 | C10 | H11 | 120.5° | 122.1° |
| C12 | C11 | C10 | H12 | 120.5° | 122.1° |
| C11 | C12 | S | C13 | 28.7° | 56.5° |
| C12 | C11 | C10 | C6 | 55.8° | 145.1° |
| C12 | C11 | C10 | C15 | 178.6° | 99.3° |
| C12 | C11 | C10 | N1 | 62.7° | 24.9° |
| C12 | C11 | H11 | H12 | 118.4° | 117.3° |
| C11 | C12 | C14 | H19 | 180.0° | 60.0° |
| C11 | C12 | C14 | H20 | 60.0° | 180.0° |
| C11 | C12 | C14 | H21 | 60.0° | 59.9° |
| S | C12 | C11 | C10 | 63.0° | 58.7° |
| C12 | S | C13 | N1 | 1.5° | 29.6° |
| C12 | S | C13 | N2 | 179.5° | 150.5° |
| S | C12 | C11 | H11 | 57.5° | 63.4° |
| S | C12 | C11 | H12 | 176.5° | 179.3° |
| S | C12 | C14 | H19 | 58.7° | 60.8° |
| S | C12 | C14 | H20 | 178.7° | 59.1° |
| S | C12 | C14 | H21 | 61.3° | 179.2° |
| C11 | C10 | C6 | C7 | 66.0° | 57.3° |
| C11 | C10 | C6 | C15 | 122.6° | 117.3° |
| C11 | C10 | C6 | N1 | 118.6° | 126.4° |
| C11 | C10 | C15 | N1 | 118.8° | 128.9° |
| C11 | C10 | C6 | C5 | 114.1° | 122.7° |
| C11 | C10 | N1 | C13 | 29.6° | 9.1° |
| C10 | C11 | H11 | H12 | 118.4° | 117.2° |
| C10 | C11 | C12 | H13 | 55.3° | 176.8° |
| C11 | C10 | C15 | H16 | 180.0° | 176.0° |
| C11 | C10 | C15 | H17 | 60.0° | 64.1° |
| C11 | C10 | C15 | H18 | 60.0° | 55.9° |
| F1 | C7 | C8 | C6 | 179.4° | 179.7° |
| F1 | C7 | C8 | C9 | 178.9° | 180.0° |
| F1 | C7 | C6 | C10 | 1.2° | 0.0° |
| F1 | C7 | C6 | C5 | 178.8° | 180.0° |
| F1 | C7 | C8 | H1 | 1.1° | 0.0° |
| S | C13 | N1 | C10 | 0.6° | 1.9° |
| S | C13 | N1 | N2 | 178.9° | 180.0° |
| C13 | S | C12 | H13 | 91.7° | 174.9° |
| S | C13 | N2 | H14 | 0.0° | 0.1° |
| S | C13 | N2 | H15 | 180.0° | 180.0° |
| C7 | C8 | C9 | H1 | 180.0° | 180.0° |
| C8 | C7 | C6 | C10 | 179.5° | 179.7° |
| C8 | C7 | C6 | C5 | 0.5° | 0.3° |
| C7 | C8 | C9 | F | 179.5° | 180.0° |
| C7 | C8 | C9 | C4 | 0.2° | 0.1° |
| C6 | C7 | C8 | C9 | 0.5° | 0.3° |
| C7 | C6 | C10 | C5 | 180.0° | 180.0° |
| C7 | C6 | C10 | C15 | 56.6° | 60.0° |
| C7 | C6 | C10 | N1 | 175.4° | 176.4° |
| C7 | C6 | C5 | C4 | 0.2° | 0.0° |
| C6 | C7 | C8 | H1 | 179.5° | 179.7° |
| C7 | C6 | C5 | H2 | 179.8° | 180.0° |
| C8 | C9 | F | C4 | 179.8° | 179.9° |
| C8 | C9 | C4 | C5 | 0.9° | 0.2° |
| C8 | C9 | C4 | C3 | 177.4° | 180.0° |
| C6 | C10 | C15 | N1 | 118.7° | 115.2° |
| C6 | C10 | N1 | C13 | 90.2° | 111.3° |
| C10 | C6 | C5 | C4 | 179.8° | 180.0° |
| C10 | C6 | C5 | H2 | 0.2° | 0.0° |
| C6 | C10 | C11 | H11 | 176.3° | 23.0° |
| C6 | C10 | C11 | H12 | 64.7° | 92.8° |
| C6 | C10 | C15 | H16 | 57.5° | 60.0° |
| C6 | C10 | C15 | H17 | 177.5° | 180.0° |
| C6 | C10 | C15 | H18 | 62.5° | 60.0° |
| C15 | C10 | C6 | C5 | 123.4° | 120.0° |
| C15 | C10 | N1 | C13 | 149.5° | 133.6° |
| C15 | C10 | C11 | H11 | 60.9° | 138.5° |
| C15 | C10 | C11 | H12 | 58.1° | 22.8° |
| C10 | C15 | H16 | H17 | 120.0° | 120.0° |
| C10 | C15 | H16 | H18 | 120.0° | 120.0° |
| C10 | C15 | H17 | H18 | 120.0° | 120.0° |
| N1 | C10 | C6 | C5 | 4.6° | 3.6° |
| C10 | N1 | C13 | N2 | 179.5° | 178.1° |
| N1 | C10 | C11 | H11 | 57.8° | 97.2° |
| N1 | C10 | C11 | H12 | 176.8° | 147.0° |
| N1 | C10 | C15 | H16 | 61.2° | 55.1° |
| N1 | C10 | C15 | H17 | 58.8° | 64.8° |
| N1 | C10 | C15 | H18 | 178.8° | 175.2° |
| C6 | C5 | C4 | C9 | 0.8° | 0.2° |
| C6 | C5 | C4 | H2 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 177.5° | 180.0° |
| N1 | C13 | N2 | H14 | 179.1° | 180.0° |
| N1 | C13 | N2 | H15 | 0.9° | 0.1° |
| C13 | N2 | H14 | H15 | 180.0° | 179.9° |
| F | C9 | C4 | C5 | 178.9° | 179.7° |
| F | C9 | C4 | C3 | 2.8° | 0.0° |
| F | C9 | C8 | H1 | 0.5° | 0.0° |
| C9 | C4 | C5 | C3 | 178.3° | 179.8° |
| C9 | C4 | C3 | N | 130.0° | 75.0° |
| C4 | C9 | C8 | H1 | 179.8° | 179.9° |
| C9 | C4 | C5 | H2 | 179.1° | 179.8° |
| C9 | C4 | C3 | H3 | 109.5° | 44.9° |
| C9 | C4 | C3 | H4 | 9.5° | 164.9° |
| C5 | C4 | C3 | N | 48.3° | 104.8° |
| C5 | C4 | C3 | H3 | 72.3° | 135.3° |
| C5 | C4 | C3 | H4 | 168.8° | 15.3° |
| C4 | C3 | N | H3 | 120.5° | 120.0° |
| C4 | C3 | N | H4 | 120.5° | 120.0° |
| C4 | C3 | N | C1 | 168.8° | 174.0° |
| C3 | C4 | C5 | H2 | 2.5° | 0.0° |
| C4 | C3 | H3 | H4 | 118.3° | 120.0° |
| C4 | C3 | N | H5 | 47.8° | 50.1° |
| F2 | C16 | C1 | N | 58.1° | 54.4° |
| F2 | C16 | C1 | C | 87.0° | 91.2° |
| F2 | C16 | C1 | F3 | 120.0° | 120.0° |
| F2 | C16 | C1 | F4 | 119.9° | 120.0° |
| F2 | C16 | C1 | C2 | 157.6° | 159.9° |
| F2 | C16 | F3 | F4 | 114.0° | 120.0° |
| C3 | N | C1 | H5 | 121.0° | 123.9° |
| C3 | N | C1 | C | 54.3° | 148.8° |
| C3 | N | C1 | C16 | 160.0° | 65.6° |
| C3 | N | C1 | C2 | 14.2° | 80.1° |
| N | C3 | H3 | H4 | 118.3° | 120.0° |
| N | C1 | C | C16 | 144.2° | 144.9° |
| N | C1 | C | C2 | 105.6° | 107.5° |
| N | C1 | C16 | C2 | 144.3° | 145.7° |
| N | C1 | C16 | F3 | 178.2° | 65.6° |
| N | C1 | C16 | F4 | 61.8° | 174.5° |
| C1 | N | C3 | H3 | 70.7° | 66.0° |
| C1 | N | C3 | H4 | 48.3° | 54.0° |
| N | C1 | C2 | H7 | 1.3° | 145.0° |
| N | C1 | C2 | H8 | 142.5° | 0.0° |
| N | C1 | C | H9 | 3.8° | 0.0° |
| N | C1 | C | H10 | 145.0° | 145.0° |
| C1 | C | C2 | H9 | 109.4° | 107.5° |
| C1 | C | C2 | H10 | 109.4° | 107.5° |
| C | C1 | C16 | C2 | 70.6° | 68.7° |
| C | C1 | C16 | F3 | 33.0° | 148.8° |
| C | C1 | C16 | F4 | 153.1° | 28.9° |
| C | C1 | N | H5 | 66.7° | 24.9° |
| C1 | C | C2 | H7 | 109.4° | 107.5° |
| C1 | C | C2 | H8 | 109.4° | 107.5° |
| C1 | C | H9 | H10 | 144.9° | 145.7° |
| C | C2 | H7 | H8 | 144.8° | 145.7° |
| C2 | C | H9 | H10 | 144.8° | 145.7° |
| C1 | C16 | F3 | F4 | 123.0° | 120.0° |
| C16 | C1 | N | H5 | 79.0° | 170.5° |
| C16 | C1 | C2 | H7 | 142.5° | 0.0° |
| C16 | C1 | C2 | H8 | 1.3° | 145.0° |
| C16 | C1 | C | H9 | 140.5° | 144.9° |
| C16 | C1 | C | H10 | 0.7° | 0.1° |
| C2 | C1 | C16 | F3 | 37.5° | 80.1° |
| C2 | C1 | C16 | F4 | 82.5° | 39.8° |
| C2 | C1 | N | H5 | 135.2° | 43.8° |
| C1 | C2 | H7 | H8 | 144.9° | 145.7° |
| H3 | C3 | N | H5 | 168.3° | 170.1° |
| H4 | C3 | N | H5 | 72.8° | 69.9° |
| H7 | C2 | C | H9 | 0.0° | 145.0° |
| H7 | C2 | C | H10 | 141.2° | 0.0° |
| H8 | C2 | C | H9 | 141.2° | 0.0° |
| H8 | C2 | C | H10 | 0.0° | 145.0° |
| H11 | C11 | C12 | H13 | 175.8° | 54.7° |
| H12 | C11 | C12 | H13 | 65.2° | 61.2° |
| H13 | C12 | C14 | H19 | 56.7° | 179.5° |
| H13 | C12 | C14 | H20 | 63.4° | 59.5° |
| H13 | C12 | C14 | H21 | 176.6° | 60.6° |
| H16 | C15 | H17 | H18 | 120.0° | 120.0° |
| H19 | C14 | H20 | H21 | 120.0° | 120.0° |
