P8Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | C11 | sing | 1.53Å | 1.52Å | |
| C8 | C2 | sing | 1.53Å | 1.53Å | |
| O8 | C5 | sing | 1.43Å | 1.43Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| O12 | C4 | sing | 1.43Å | 1.43Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| O10 | C6 | sing | 1.43Å | 1.44Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C1 | C18 | sing | 1.53Å | 1.54Å | |
| C16 | C3 | sing | 1.53Å | 1.55Å | |
| C16 | S17 | sing | 1.81Å | 1.84Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C3 | N2 | sing | 1.47Å | 1.48Å | |
| C18 | S17 | sing | 1.81Å | 1.84Å | |
| C7 | N2 | sing | 1.47Å | 1.48Å | |
| S17 | O13 | doub | 1.42Å | 1.53Å | |
| S17 | O14 | doub | 1.42Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C7 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| N2 | H22 | sing | 1.01Å | 1.00Å | |
| O10 | H24 | sing | 0.97Å | 0.95Å | |
| O12 | H25 | sing | 0.97Å | 0.95Å | |
| O8 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C11 | 104.3° | 109.5° |
| C9 | C8 | C2 | 107.8° | 109.4° |
| C9 | C8 | H18 | 112.0° | 109.5° |
| C8 | C9 | H19 | 109.5° | 109.5° |
| C8 | C9 | H20 | 109.4° | 109.5° |
| C8 | C9 | H21 | 109.5° | 109.5° |
| C11 | C8 | C2 | 108.6° | 109.4° |
| C8 | C11 | H3 | 109.5° | 109.5° |
| C8 | C11 | H4 | 109.5° | 109.4° |
| C8 | C11 | H5 | 109.5° | 109.5° |
| C11 | C8 | H18 | 111.9° | 109.5° |
| C8 | C2 | C1 | 108.8° | 109.5° |
| C8 | C2 | H10 | 109.6° | 109.5° |
| C8 | C2 | H11 | 109.6° | 109.5° |
| C2 | C8 | H18 | 111.9° | 109.5° |
| O8 | C5 | C4 | 109.4° | 109.5° |
| O8 | C5 | C6 | 109.5° | 109.5° |
| O8 | C5 | H14 | 110.8° | 109.6° |
| C5 | O8 | H26 | 109.5° | 114.0° |
| C2 | C1 | C18 | 119.6° | 109.5° |
| C2 | C1 | H1 | 106.9° | 109.5° |
| C2 | C1 | H2 | 106.9° | 109.5° |
| C1 | C2 | H10 | 109.6° | 109.5° |
| C1 | C2 | H11 | 109.6° | 109.4° |
| O12 | C4 | C5 | 111.1° | 109.5° |
| O12 | C4 | C3 | 106.9° | 109.5° |
| O12 | C4 | H13 | 110.3° | 109.5° |
| C4 | O12 | H25 | 109.5° | 114.0° |
| C4 | C5 | C6 | 107.9° | 109.2° |
| C5 | C4 | C3 | 110.4° | 109.3° |
| C5 | C4 | H13 | 109.0° | 109.5° |
| C4 | C5 | H14 | 109.5° | 109.5° |
| C5 | C6 | O10 | 109.9° | 109.5° |
| C5 | C6 | C7 | 108.6° | 109.3° |
| C6 | C5 | H14 | 109.8° | 109.5° |
| C5 | C6 | H15 | 109.1° | 109.5° |
| O10 | C6 | C7 | 110.2° | 109.5° |
| O10 | C6 | H15 | 110.0° | 109.6° |
| C6 | O10 | H24 | 109.5° | 114.0° |
| C4 | C3 | C16 | 109.4° | 109.5° |
| C4 | C3 | N2 | 107.6° | 109.5° |
| C4 | C3 | H12 | 109.4° | 109.5° |
| C3 | C4 | H13 | 109.1° | 109.4° |
| C1 | C18 | S17 | 116.8° | 109.5° |
| C18 | C1 | H1 | 106.9° | 109.5° |
| C18 | C1 | H2 | 106.9° | 109.5° |
| C1 | C18 | H8 | 107.6° | 109.5° |
| C1 | C18 | H9 | 107.6° | 109.5° |
| C3 | C16 | S17 | 105.9° | 109.5° |
| C16 | C3 | N2 | 111.5° | 109.4° |
| C3 | C16 | H6 | 110.4° | 109.4° |
| C3 | C16 | H7 | 110.4° | 109.5° |
| C16 | C3 | H12 | 108.9° | 109.5° |
| C16 | S17 | C18 | 119.0° | 101.9° |
| C16 | S17 | O13 | 105.4° | 108.6° |
| C16 | S17 | O14 | 108.8° | 108.6° |
| S17 | C16 | H6 | 110.3° | 109.5° |
| S17 | C16 | H7 | 110.4° | 109.5° |
| C6 | C7 | N2 | 110.2° | 109.5° |
| C7 | C6 | H15 | 109.0° | 109.5° |
| C6 | C7 | H16 | 109.3° | 109.5° |
| C6 | C7 | H17 | 109.3° | 109.5° |
| C3 | N2 | C7 | 111.6° | 111.2° |
| N2 | C3 | H12 | 109.9° | 109.5° |
| C3 | N2 | H22 | 108.9° | 111.0° |
| C18 | S17 | O13 | 106.3° | 108.6° |
| C18 | S17 | O14 | 108.8° | 108.6° |
| S17 | C18 | H8 | 107.6° | 109.5° |
| S17 | C18 | H9 | 107.6° | 109.4° |
| N2 | C7 | H16 | 109.3° | 109.5° |
| N2 | C7 | H17 | 109.3° | 109.5° |
| C7 | N2 | H22 | 109.0° | 110.9° |
| O13 | S17 | O14 | 108.0° | 119.2° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C11 | H4 | 109.5° | 109.5° |
| H3 | C11 | H5 | 109.5° | 109.5° |
| H4 | C11 | H5 | 109.5° | 109.5° |
| H6 | C16 | H7 | 109.5° | 109.5° |
| H8 | C18 | H9 | 109.5° | 109.4° |
| H10 | C2 | H11 | 109.5° | 109.5° |
| H16 | C7 | H17 | 109.4° | 109.5° |
| H19 | C9 | H20 | 109.5° | 109.4° |
| H19 | C9 | H21 | 109.5° | 109.4° |
| H20 | C9 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C11 | C2 | 114.8° | 120.0° |
| C9 | C8 | C11 | H18 | 121.2° | 120.0° |
| C9 | C8 | C2 | H18 | 123.5° | 120.0° |
| C9 | C8 | C2 | C1 | 168.7° | 65.0° |
| C9 | C8 | C11 | H3 | 180.0° | 180.0° |
| C9 | C8 | C11 | H4 | 60.0° | 60.0° |
| C9 | C8 | C11 | H5 | 60.0° | 59.9° |
| C9 | C8 | C2 | H10 | 71.4° | 55.0° |
| C9 | C8 | C2 | H11 | 48.8° | 175.0° |
| C8 | C9 | H19 | H20 | 120.0° | 120.0° |
| C8 | C9 | H19 | H21 | 120.0° | 120.0° |
| C8 | C9 | H20 | H21 | 120.0° | 120.1° |
| C11 | C8 | C2 | H18 | 124.0° | 120.0° |
| C11 | C8 | C2 | C1 | 56.3° | 175.0° |
| C8 | C11 | H3 | H4 | 120.0° | 120.0° |
| C8 | C11 | H3 | H5 | 120.0° | 120.0° |
| C8 | C11 | H4 | H5 | 120.0° | 120.0° |
| C11 | C8 | C2 | H10 | 176.2° | 65.0° |
| C11 | C8 | C2 | H11 | 63.6° | 55.0° |
| C11 | C8 | C9 | H19 | 180.0° | 60.0° |
| C11 | C8 | C9 | H20 | 60.0° | 180.0° |
| C11 | C8 | C9 | H21 | 60.0° | 59.9° |
| C8 | C2 | C1 | H10 | 119.9° | 120.0° |
| C8 | C2 | C1 | H11 | 119.9° | 120.0° |
| C8 | C2 | C1 | C18 | 63.9° | 180.0° |
| C8 | C2 | C1 | H1 | 174.7° | 60.0° |
| C8 | C2 | C1 | H2 | 57.5° | 60.0° |
| C2 | C8 | C11 | H3 | 65.2° | 60.0° |
| C2 | C8 | C11 | H4 | 54.8° | 180.0° |
| C2 | C8 | C11 | H5 | 174.8° | 60.0° |
| C8 | C2 | H10 | H11 | 120.3° | 120.0° |
| C2 | C8 | C9 | H19 | 64.7° | 180.0° |
| C2 | C8 | C9 | H20 | 175.3° | 60.0° |
| C2 | C8 | C9 | H21 | 55.3° | 60.1° |
| O8 | C5 | C4 | O12 | 60.9° | 177.8° |
| O8 | C5 | C4 | C6 | 119.0° | 119.9° |
| O8 | C5 | C4 | H14 | 121.6° | 120.2° |
| O8 | C5 | C6 | H14 | 121.8° | 120.2° |
| O8 | C5 | C6 | O10 | 60.5° | 177.8° |
| O8 | C5 | C4 | C3 | 179.4° | 62.2° |
| O8 | C5 | C6 | C7 | 178.9° | 62.2° |
| O8 | C5 | C4 | H13 | 60.8° | 57.7° |
| O8 | C5 | C6 | H15 | 60.2° | 57.7° |
| C2 | C1 | C18 | H1 | 121.4° | 120.0° |
| C2 | C1 | C18 | H2 | 121.4° | 120.0° |
| C2 | C1 | C18 | S17 | 67.4° | 180.0° |
| C2 | C1 | H1 | H2 | 115.4° | 120.0° |
| C2 | C1 | C18 | H8 | 171.5° | 60.0° |
| C2 | C1 | C18 | H9 | 53.6° | 60.0° |
| C1 | C2 | H10 | H11 | 120.3° | 120.0° |
| C1 | C2 | C8 | H18 | 67.7° | 55.0° |
| O12 | C4 | C5 | C3 | 118.5° | 120.0° |
| O12 | C4 | C5 | H13 | 121.7° | 120.1° |
| O12 | C4 | C5 | C6 | 179.9° | 62.3° |
| O12 | C4 | C3 | H13 | 119.2° | 120.1° |
| O12 | C4 | C3 | C16 | 59.9° | 59.2° |
| O12 | C4 | C3 | N2 | 178.8° | 60.8° |
| O12 | C4 | C3 | H12 | 59.4° | 179.2° |
| O12 | C4 | C5 | H14 | 60.7° | 57.6° |
| C4 | C5 | C6 | H14 | 119.2° | 119.9° |
| C4 | C5 | C6 | O10 | 179.5° | 62.3° |
| C5 | C4 | C3 | H13 | 119.7° | 119.9° |
| C5 | C4 | C3 | C16 | 61.1° | 179.2° |
| C4 | C5 | C6 | C7 | 60.0° | 57.7° |
| C5 | C4 | C3 | N2 | 60.2° | 59.2° |
| C5 | C4 | C3 | H12 | 179.6° | 60.8° |
| C4 | C5 | C6 | H15 | 58.8° | 177.6° |
| C5 | C4 | O12 | H25 | 180.0° | 60.2° |
| C4 | C5 | O8 | H26 | 180.0° | 180.0° |
| C5 | C6 | O10 | C7 | 119.6° | 119.8° |
| C5 | C6 | O10 | H15 | 120.2° | 120.1° |
| C6 | C5 | C4 | C3 | 61.6° | 57.7° |
| C5 | C6 | C7 | H15 | 118.8° | 119.9° |
| C5 | C6 | C7 | N2 | 59.9° | 59.2° |
| C6 | C5 | C4 | H13 | 58.2° | 177.5° |
| C5 | C6 | C7 | H16 | 60.3° | 179.2° |
| C5 | C6 | C7 | H17 | 180.0° | 60.8° |
| C5 | C6 | O10 | H24 | 180.0° | 180.0° |
| C6 | C5 | O8 | H26 | 62.0° | 60.3° |
| O10 | C6 | C7 | H15 | 120.8° | 120.1° |
| O10 | C6 | C7 | N2 | 179.7° | 60.8° |
| O10 | C6 | C5 | H14 | 61.3° | 57.7° |
| O10 | C6 | C7 | H16 | 60.1° | 59.2° |
| O10 | C6 | C7 | H17 | 59.6° | 179.2° |
| C4 | C3 | C16 | N2 | 119.0° | 120.0° |
| C4 | C3 | C16 | H12 | 119.6° | 120.0° |
| C4 | C3 | C16 | S17 | 176.2° | 175.0° |
| C4 | C3 | N2 | H12 | 119.1° | 120.1° |
| C4 | C3 | N2 | C7 | 59.4° | 61.8° |
| C4 | C3 | C16 | H6 | 56.7° | 55.0° |
| C4 | C3 | C16 | H7 | 64.4° | 65.0° |
| C3 | C4 | C5 | H14 | 57.8° | 177.6° |
| C4 | C3 | N2 | H22 | 60.9° | 174.2° |
| C3 | C4 | O12 | H25 | 59.4° | 180.0° |
| C1 | C18 | S17 | C16 | 71.3° | 180.0° |
| C1 | C18 | S17 | H8 | 121.1° | 120.1° |
| C1 | C18 | S17 | H9 | 121.0° | 120.0° |
| C1 | C18 | S17 | O13 | 47.3° | 65.5° |
| C1 | C18 | S17 | O14 | 163.4° | 65.4° |
| C18 | C1 | H1 | H2 | 115.4° | 120.0° |
| C1 | C18 | H8 | H9 | 116.7° | 120.0° |
| C18 | C1 | C2 | H10 | 56.0° | 60.0° |
| C18 | C1 | C2 | H11 | 176.2° | 60.0° |
| C3 | C16 | S17 | H6 | 119.5° | 120.0° |
| C3 | C16 | S17 | H7 | 119.4° | 120.0° |
| C16 | C3 | N2 | H12 | 120.9° | 120.0° |
| C3 | C16 | S17 | C18 | 177.2° | 180.0° |
| C16 | C3 | N2 | C7 | 60.6° | 178.2° |
| C3 | C16 | S17 | O13 | 63.8° | 65.5° |
| C3 | C16 | S17 | O14 | 51.9° | 65.5° |
| C3 | C16 | H6 | H7 | 121.7° | 120.0° |
| C16 | C3 | C4 | H13 | 179.1° | 60.9° |
| C16 | C3 | N2 | H22 | 179.0° | 54.2° |
| S17 | C16 | C3 | N2 | 64.9° | 65.0° |
| C16 | S17 | C18 | O13 | 118.6° | 114.5° |
| C16 | S17 | C18 | O14 | 125.3° | 114.5° |
| C16 | S17 | O13 | O14 | 116.2° | 125.0° |
| S17 | C16 | H6 | H7 | 121.6° | 120.1° |
| C16 | S17 | C18 | H8 | 167.6° | 59.9° |
| C16 | S17 | C18 | H9 | 49.7° | 60.0° |
| S17 | C16 | C3 | H12 | 56.6° | 55.0° |
| C6 | C7 | N2 | C3 | 60.4° | 61.7° |
| C6 | C7 | N2 | H16 | 120.1° | 120.0° |
| C6 | C7 | N2 | H17 | 120.1° | 120.0° |
| C7 | C6 | C5 | H14 | 59.3° | 177.6° |
| C6 | C7 | H16 | H17 | 119.7° | 120.0° |
| C6 | C7 | N2 | H22 | 59.9° | 174.2° |
| C7 | C6 | O10 | H24 | 60.4° | 60.2° |
| C3 | N2 | C7 | H22 | 120.3° | 124.1° |
| N2 | C3 | C16 | H6 | 175.7° | 175.0° |
| N2 | C3 | C16 | H7 | 54.6° | 55.0° |
| N2 | C3 | C4 | H13 | 59.5° | 179.1° |
| C3 | N2 | C7 | H16 | 59.7° | 178.2° |
| C3 | N2 | C7 | H17 | 179.5° | 58.2° |
| C18 | S17 | O13 | O14 | 116.6° | 124.9° |
| S17 | C18 | C1 | H1 | 54.0° | 60.0° |
| S17 | C18 | C1 | H2 | 171.1° | 60.0° |
| C18 | S17 | C16 | H6 | 63.3° | 60.0° |
| C18 | S17 | C16 | H7 | 57.8° | 60.0° |
| S17 | C18 | H8 | H9 | 116.7° | 119.9° |
| C7 | N2 | C3 | H12 | 178.5° | 58.3° |
| N2 | C7 | C6 | H15 | 58.9° | 179.1° |
| N2 | C7 | H16 | H17 | 119.7° | 120.0° |
| O13 | S17 | C16 | H6 | 55.7° | 174.5° |
| O13 | S17 | C16 | H7 | 176.8° | 54.5° |
| O13 | S17 | C18 | H8 | 73.8° | 54.6° |
| O13 | S17 | C18 | H9 | 168.4° | 174.5° |
| O14 | S17 | C16 | H6 | 171.3° | 54.5° |
| O14 | S17 | C16 | H7 | 67.6° | 174.5° |
| O14 | S17 | C18 | H8 | 42.3° | 174.5° |
| O14 | S17 | C18 | H9 | 75.6° | 54.5° |
| H1 | C1 | C18 | H8 | 67.1° | 60.0° |
| H1 | C1 | C18 | H9 | 175.0° | 180.0° |
| H1 | C1 | C2 | H10 | 65.5° | 180.0° |
| H1 | C1 | C2 | H11 | 54.7° | 60.0° |
| H2 | C1 | C18 | H8 | 50.1° | 180.0° |
| H2 | C1 | C18 | H9 | 67.8° | 60.0° |
| H2 | C1 | C2 | H10 | 177.4° | 60.0° |
| H2 | C1 | C2 | H11 | 62.4° | 180.0° |
| H3 | C11 | H4 | H5 | 120.0° | 120.0° |
| H3 | C11 | C8 | H18 | 58.8° | 60.0° |
| H4 | C11 | C8 | H18 | 178.8° | 60.0° |
| H5 | C11 | C8 | H18 | 61.2° | 180.0° |
| H6 | C16 | C3 | H12 | 62.9° | 65.1° |
| H7 | C16 | C3 | H12 | 176.0° | 175.0° |
| H10 | C2 | C8 | H18 | 52.1° | 175.0° |
| H11 | C2 | C8 | H18 | 172.3° | 65.0° |
| H12 | C3 | C4 | H13 | 59.9° | 59.1° |
| H12 | C3 | N2 | H22 | 58.1° | 65.7° |
| H13 | C4 | C5 | H14 | 177.6° | 62.5° |
| H13 | C4 | O12 | H25 | 59.1° | 59.9° |
| H14 | C5 | C6 | H15 | 178.0° | 62.5° |
| H14 | C5 | O8 | H26 | 59.2° | 59.9° |
| H15 | C6 | C7 | H16 | 179.0° | 60.9° |
| H15 | C6 | C7 | H17 | 61.2° | 59.1° |
| H15 | C6 | O10 | H24 | 59.8° | 59.9° |
| H16 | C7 | N2 | H22 | 179.9° | 54.2° |
| H17 | C7 | N2 | H22 | 60.2° | 65.8° |
| H18 | C8 | C9 | H19 | 58.8° | 60.0° |
| H18 | C8 | C9 | H20 | 61.2° | 59.9° |
| H18 | C8 | C9 | H21 | 178.8° | 180.0° |
| H19 | C9 | H20 | H21 | 120.0° | 119.9° |
