P9K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | N30 | sing | 1.47Å | 1.47Å | |
| C34 | S31 | sing | 1.81Å | 1.75Å | |
| O35 | S31 | doub | 1.42Å | 1.43Å | |
| N30 | S31 | sing | 1.66Å | 1.66Å | |
| N30 | C29 | sing | 1.39Å | 1.44Å | |
| S31 | O33 | doub | 1.42Å | 1.43Å | |
| O21 | C19 | doub | 1.21Å | 1.23Å | |
| C28 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C24 | sing | 1.41Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C18 | C17 | sing | 1.51Å | 1.50Å | |
| C19 | N20 | sing | 1.34Å | 1.36Å | |
| C27 | C26 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| N20 | C16 | sing | 1.40Å | 1.40Å | |
| C24 | C23 | sing | 1.47Å | 1.51Å | |
| C24 | C25 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | N22 | doub | 1.31Å | 1.46Å | |
| C16 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | N11 | sing | 1.40Å | 1.41Å | |
| C12 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| N22 | C2 | sing | 1.36Å | 1.35Å | |
| N3 | C4 | doub | 1.32Å | 1.33Å | Aromatic |
| N3 | C2 | sing | 1.33Å | 1.34Å | Aromatic |
| N11 | C4 | sing | 1.38Å | 1.36Å | |
| C4 | N5 | sing | 1.33Å | 1.34Å | Aromatic |
| C2 | C1 | doub | 1.40Å | 1.42Å | Aromatic |
| F9 | C7 | sing | 1.40Å | 1.29Å | |
| N5 | C6 | doub | 1.32Å | 1.33Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C7 | sing | 1.51Å | 1.50Å | |
| C7 | F8 | sing | 1.40Å | 1.33Å | |
| C7 | F10 | sing | 1.40Å | 1.36Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C27 | H4 | sing | 1.08Å | 1.08Å | |
| C32 | H5 | sing | 1.09Å | 1.10Å | |
| C32 | H6 | sing | 1.09Å | 1.10Å | |
| C32 | H7 | sing | 1.09Å | 1.10Å | |
| C34 | H8 | sing | 1.09Å | 1.10Å | |
| C34 | H9 | sing | 1.09Å | 1.10Å | |
| C34 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.08Å | 1.08Å | |
| N11 | H12 | sing | 0.97Å | 1.00Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| N20 | H15 | sing | 0.97Å | 1.00Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å | |
| C26 | H18 | sing | 1.08Å | 1.08Å | |
| C28 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | N30 | S31 | 118.9° | 120.0° |
| C32 | N30 | C29 | 117.6° | 120.0° |
| N30 | C32 | H5 | 109.5° | 109.5° |
| N30 | C32 | H6 | 109.5° | 109.5° |
| N30 | C32 | H7 | 109.5° | 109.5° |
| C34 | S31 | O35 | 107.6° | 110.5° |
| C34 | S31 | N30 | 107.6° | 104.4° |
| C34 | S31 | O33 | 108.1° | 110.6° |
| S31 | C34 | H8 | 109.5° | 109.5° |
| S31 | C34 | H9 | 109.5° | 109.5° |
| S31 | C34 | H10 | 109.5° | 109.4° |
| O35 | S31 | N30 | 107.1° | 104.3° |
| O35 | S31 | O33 | 119.0° | 121.0° |
| S31 | N30 | C29 | 120.4° | 120.0° |
| N30 | S31 | O33 | 106.9° | 104.3° |
| N30 | C29 | C28 | 119.7° | 120.2° |
| N30 | C29 | C24 | 120.2° | 120.2° |
| O21 | C19 | C18 | 126.8° | 126.4° |
| O21 | C19 | N20 | 125.4° | 126.4° |
| C29 | C28 | C27 | 120.0° | 120.1° |
| C28 | C29 | C24 | 120.1° | 119.6° |
| C29 | C28 | H19 | 120.0° | 120.0° |
| C28 | C27 | C26 | 120.3° | 120.4° |
| C28 | C27 | H4 | 119.8° | 119.8° |
| C27 | C28 | H19 | 120.0° | 119.9° |
| C29 | C24 | C23 | 121.0° | 120.2° |
| C29 | C24 | C25 | 118.6° | 119.5° |
| C19 | C18 | C17 | 103.1° | 104.1° |
| C18 | C19 | N20 | 107.7° | 107.1° |
| C19 | C18 | H13 | 111.0° | 110.5° |
| C19 | C18 | H14 | 111.0° | 110.5° |
| C18 | C17 | C13 | 132.2° | 132.8° |
| C18 | C17 | C16 | 108.2° | 106.4° |
| C17 | C18 | H13 | 111.0° | 110.5° |
| C17 | C18 | H14 | 111.0° | 110.5° |
| C19 | N20 | C16 | 111.7° | 112.2° |
| C19 | N20 | H15 | 124.2° | 123.8° |
| C27 | C26 | C25 | 120.1° | 120.4° |
| C26 | C27 | H4 | 119.9° | 119.8° |
| C27 | C26 | H18 | 120.0° | 119.8° |
| C13 | C17 | C16 | 119.7° | 120.8° |
| C17 | C13 | C12 | 119.6° | 119.9° |
| C17 | C13 | H1 | 120.2° | 120.1° |
| C17 | C16 | N20 | 109.3° | 110.1° |
| C17 | C16 | C14 | 121.5° | 119.1° |
| N20 | C16 | C14 | 129.2° | 130.7° |
| C16 | N20 | H15 | 124.2° | 123.9° |
| C23 | C24 | C25 | 120.4° | 120.2° |
| C24 | C23 | N22 | 115.1° | 120.1° |
| C24 | C23 | H16 | 122.5° | 120.0° |
| C24 | C25 | C26 | 121.0° | 119.9° |
| C24 | C25 | H17 | 119.5° | 120.0° |
| C13 | C12 | N11 | 122.4° | 120.2° |
| C13 | C12 | C15 | 120.1° | 119.7° |
| C12 | C13 | H1 | 120.2° | 120.1° |
| C23 | N22 | C2 | 123.0° | 120.1° |
| N22 | C23 | H16 | 122.5° | 120.0° |
| C16 | C14 | C15 | 118.4° | 120.2° |
| C16 | C14 | H2 | 120.8° | 119.9° |
| C26 | C25 | H17 | 119.5° | 120.0° |
| C25 | C26 | H18 | 120.0° | 119.8° |
| N11 | C12 | C15 | 117.5° | 120.2° |
| C12 | N11 | C4 | 131.9° | 120.0° |
| C12 | N11 | H12 | 114.1° | 120.0° |
| C12 | C15 | C14 | 120.7° | 120.3° |
| C12 | C15 | H3 | 119.7° | 119.9° |
| C15 | C14 | H2 | 120.8° | 119.9° |
| C14 | C15 | H3 | 119.6° | 119.8° |
| N22 | C2 | N3 | 117.9° | 120.5° |
| N22 | C2 | C1 | 120.9° | 120.6° |
| C4 | N3 | C2 | 117.5° | 120.6° |
| N3 | C4 | N11 | 115.3° | 119.2° |
| N3 | C4 | N5 | 126.4° | 121.7° |
| N3 | C2 | C1 | 121.1° | 118.9° |
| N11 | C4 | N5 | 118.1° | 119.1° |
| C4 | N11 | H12 | 114.1° | 120.0° |
| C4 | N5 | C6 | 115.7° | 121.1° |
| C2 | C1 | C6 | 115.6° | 118.4° |
| C2 | C1 | C7 | 123.8° | 120.8° |
| F9 | C7 | C1 | 112.1° | 109.4° |
| F9 | C7 | F8 | 103.4° | 109.5° |
| F9 | C7 | F10 | 105.6° | 109.5° |
| N5 | C6 | C1 | 123.8° | 119.4° |
| N5 | C6 | H11 | 118.1° | 120.4° |
| C6 | C1 | C7 | 120.6° | 120.8° |
| C1 | C6 | H11 | 118.1° | 120.3° |
| C1 | C7 | F8 | 112.9° | 109.5° |
| C1 | C7 | F10 | 113.4° | 109.5° |
| F8 | C7 | F10 | 108.7° | 109.5° |
| H5 | C32 | H6 | 109.5° | 109.4° |
| H5 | C32 | H7 | 109.5° | 109.4° |
| H6 | C32 | H7 | 109.5° | 109.5° |
| H8 | C34 | H9 | 109.5° | 109.5° |
| H8 | C34 | H10 | 109.5° | 109.5° |
| H9 | C34 | H10 | 109.5° | 109.4° |
| H13 | C18 | H14 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | N30 | S31 | C34 | 76.1° | 94.0° |
| C32 | N30 | S31 | O35 | 39.4° | 150.0° |
| C32 | N30 | S31 | C29 | 159.6° | 180.0° |
| C32 | N30 | S31 | O33 | 168.0° | 22.1° |
| C32 | N30 | C29 | C28 | 74.1° | 86.9° |
| C32 | N30 | C29 | C24 | 104.2° | 93.1° |
| N30 | C32 | H5 | H6 | 120.0° | 120.0° |
| N30 | C32 | H5 | H7 | 120.0° | 120.0° |
| N30 | C32 | H6 | H7 | 120.0° | 120.1° |
| C34 | S31 | O35 | N30 | 115.5° | 111.7° |
| C34 | S31 | O35 | O33 | 123.3° | 131.5° |
| C34 | S31 | N30 | O33 | 116.0° | 116.1° |
| C34 | S31 | N30 | C29 | 83.5° | 86.0° |
| S31 | C34 | H8 | H9 | 120.0° | 120.1° |
| S31 | C34 | H8 | H10 | 120.0° | 120.0° |
| S31 | C34 | H9 | H10 | 120.0° | 119.9° |
| O35 | S31 | N30 | O33 | 128.6° | 127.9° |
| O35 | S31 | N30 | C29 | 161.0° | 30.0° |
| O35 | S31 | C34 | H8 | 180.0° | 46.2° |
| O35 | S31 | C34 | H9 | 60.0° | 73.8° |
| O35 | S31 | C34 | H10 | 60.0° | 166.2° |
| S31 | N30 | C29 | C28 | 85.7° | 93.1° |
| S31 | N30 | C29 | C24 | 96.0° | 86.9° |
| S31 | N30 | C32 | H5 | 180.0° | 94.9° |
| S31 | N30 | C32 | H6 | 60.0° | 145.2° |
| S31 | N30 | C32 | H7 | 60.0° | 25.1° |
| N30 | S31 | C34 | H8 | 64.8° | 65.3° |
| N30 | S31 | C34 | H9 | 55.2° | 174.6° |
| N30 | S31 | C34 | H10 | 175.2° | 54.6° |
| C29 | N30 | S31 | O33 | 32.4° | 157.9° |
| N30 | C29 | C28 | C24 | 178.3° | 180.0° |
| N30 | C29 | C28 | C27 | 178.7° | 180.0° |
| N30 | C29 | C24 | C23 | 0.9° | 0.0° |
| N30 | C29 | C24 | C25 | 178.7° | 179.8° |
| C29 | N30 | C32 | H5 | 19.8° | 85.1° |
| C29 | N30 | C32 | H6 | 139.9° | 34.8° |
| C29 | N30 | C32 | H7 | 100.2° | 154.9° |
| N30 | C29 | C28 | H19 | 1.3° | 0.1° |
| O33 | S31 | C34 | H8 | 50.3° | 177.0° |
| O33 | S31 | C34 | H9 | 170.3° | 62.9° |
| O33 | S31 | C34 | H10 | 69.7° | 57.0° |
| O21 | C19 | C18 | N20 | 178.1° | 180.0° |
| O21 | C19 | C18 | C17 | 176.5° | 180.0° |
| O21 | C19 | N20 | C16 | 177.8° | 180.0° |
| O21 | C19 | C18 | H13 | 64.5° | 61.3° |
| O21 | C19 | C18 | H14 | 57.5° | 61.3° |
| O21 | C19 | N20 | H15 | 2.2° | 0.0° |
| C29 | C28 | C27 | H19 | 180.0° | 179.9° |
| C29 | C28 | C27 | C26 | 0.1° | 0.2° |
| C28 | C29 | C24 | C23 | 179.2° | 180.0° |
| C28 | C29 | C24 | C25 | 0.4° | 0.2° |
| C29 | C28 | C27 | H4 | 179.9° | 180.0° |
| C27 | C28 | C29 | C24 | 0.4° | 0.0° |
| C28 | C27 | C26 | H4 | 180.0° | 179.8° |
| C28 | C27 | C26 | C25 | 0.7° | 0.2° |
| C28 | C27 | C26 | H18 | 179.4° | 179.8° |
| C29 | C24 | C23 | C25 | 179.6° | 179.8° |
| C29 | C24 | C23 | N22 | 95.9° | 176.2° |
| C29 | C24 | C25 | C26 | 0.2° | 0.2° |
| C29 | C24 | C23 | H16 | 84.1° | 3.8° |
| C29 | C24 | C25 | H17 | 179.8° | 179.7° |
| C24 | C29 | C28 | H19 | 179.6° | 179.9° |
| C19 | C18 | C17 | H13 | 119.0° | 118.7° |
| C19 | C18 | C17 | H14 | 119.0° | 118.7° |
| C19 | C18 | C17 | C13 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 2.3° | 0.0° |
| C18 | C19 | N20 | C16 | 0.4° | 0.1° |
| C19 | C18 | H13 | H14 | 123.0° | 122.7° |
| C18 | C19 | N20 | H15 | 179.6° | 180.0° |
| C17 | C18 | C19 | N20 | 1.6° | 0.0° |
| C18 | C17 | C13 | C16 | 177.4° | 179.9° |
| C18 | C17 | C16 | N20 | 2.2° | 0.0° |
| C18 | C17 | C13 | C12 | 175.8° | 179.9° |
| C18 | C17 | C16 | C14 | 177.4° | 179.8° |
| C18 | C17 | C13 | H1 | 4.2° | 0.0° |
| C17 | C18 | H13 | H14 | 122.9° | 122.7° |
| C19 | N20 | C16 | C17 | 1.2° | 0.0° |
| C19 | N20 | C16 | H15 | 180.0° | 179.9° |
| C19 | N20 | C16 | C14 | 178.4° | 179.7° |
| N20 | C19 | C18 | H13 | 117.3° | 118.7° |
| N20 | C19 | C18 | H14 | 120.6° | 118.7° |
| C27 | C26 | C25 | C24 | 0.7° | 0.0° |
| C27 | C26 | C25 | H18 | 180.0° | 180.0° |
| C27 | C26 | C25 | H17 | 179.3° | 179.9° |
| C26 | C27 | C28 | H19 | 179.9° | 179.7° |
| C13 | C17 | C16 | N20 | 179.8° | 179.9° |
| C17 | C13 | C12 | H1 | 180.0° | 179.9° |
| C13 | C17 | C16 | C14 | 0.6° | 0.3° |
| C17 | C13 | C12 | N11 | 177.3° | 180.0° |
| C17 | C13 | C12 | C15 | 1.5° | 0.3° |
| C13 | C17 | C18 | H13 | 61.0° | 61.4° |
| C13 | C17 | C18 | H14 | 61.0° | 61.3° |
| C17 | C16 | N20 | C14 | 179.5° | 179.8° |
| C16 | C17 | C13 | C12 | 1.6° | 0.0° |
| C17 | C16 | C14 | C15 | 0.4° | 0.2° |
| C16 | C17 | C13 | H1 | 178.4° | 179.9° |
| C17 | C16 | C14 | H2 | 179.6° | 179.7° |
| C16 | C17 | C18 | H13 | 116.6° | 118.7° |
| C16 | C17 | C18 | H14 | 121.3° | 118.7° |
| C17 | C16 | N20 | H15 | 178.8° | 180.0° |
| N20 | C16 | C14 | C15 | 179.1° | 180.0° |
| N20 | C16 | C14 | H2 | 0.9° | 0.0° |
| C24 | C23 | N22 | H16 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 179.8° | 180.0° |
| C24 | C23 | N22 | C2 | 176.1° | 174.9° |
| C23 | C24 | C25 | H17 | 0.2° | 0.0° |
| C25 | C24 | C23 | N22 | 84.5° | 3.6° |
| C24 | C25 | C26 | H17 | 180.0° | 179.9° |
| C25 | C24 | C23 | H16 | 95.5° | 176.4° |
| C24 | C25 | C26 | H18 | 179.3° | 179.9° |
| C13 | C12 | N11 | C15 | 178.8° | 179.7° |
| C13 | C12 | C15 | C14 | 0.5° | 0.3° |
| C13 | C12 | N11 | C4 | 32.1° | 34.2° |
| C13 | C12 | C15 | H3 | 179.5° | 179.7° |
| C13 | C12 | N11 | H12 | 147.8° | 145.7° |
| C23 | N22 | C2 | N3 | 8.8° | 5.1° |
| C23 | N22 | C2 | C1 | 167.3° | 174.9° |
| C16 | C14 | C15 | C12 | 0.5° | 0.0° |
| C16 | C14 | C15 | H2 | 180.0° | 180.0° |
| C16 | C14 | C15 | H3 | 179.5° | 180.0° |
| C14 | C16 | N20 | H15 | 1.6° | 0.2° |
| C25 | C26 | C27 | H4 | 179.3° | 180.0° |
| N11 | C12 | C15 | C14 | 178.4° | 180.0° |
| C12 | N11 | C4 | N3 | 7.2° | 173.9° |
| C12 | N11 | C4 | H12 | 180.0° | 179.9° |
| C12 | N11 | C4 | N5 | 167.6° | 6.1° |
| N11 | C12 | C13 | H1 | 2.8° | 0.1° |
| N11 | C12 | C15 | H3 | 1.6° | 0.0° |
| C12 | C15 | C14 | H3 | 180.0° | 180.0° |
| C15 | C12 | N11 | C4 | 146.7° | 146.1° |
| C15 | C12 | C13 | H1 | 178.5° | 179.8° |
| C12 | C15 | C14 | H2 | 179.5° | 180.0° |
| C15 | C12 | N11 | H12 | 33.4° | 34.0° |
| N22 | C2 | N3 | C4 | 173.4° | 180.0° |
| N22 | C2 | N3 | C1 | 176.0° | 180.0° |
| N22 | C2 | C1 | C6 | 173.5° | 180.0° |
| N22 | C2 | C1 | C7 | 5.1° | 0.3° |
| C2 | N22 | C23 | H16 | 3.8° | 5.1° |
| N3 | C4 | N11 | N5 | 174.8° | 180.0° |
| C4 | N3 | C2 | C1 | 2.6° | 0.0° |
| N3 | C4 | N5 | C6 | 1.6° | 0.0° |
| N3 | C4 | N11 | H12 | 172.8° | 6.1° |
| C2 | N3 | C4 | N11 | 174.9° | 180.0° |
| C2 | N3 | C4 | N5 | 0.5° | 0.0° |
| N3 | C2 | C1 | C6 | 2.4° | 0.0° |
| N3 | C2 | C1 | C7 | 179.0° | 179.7° |
| N11 | C4 | N5 | C6 | 172.6° | 179.9° |
| C4 | N5 | C6 | C1 | 1.7° | 0.0° |
| C4 | N5 | C6 | H11 | 178.3° | 179.8° |
| N5 | C4 | N11 | H12 | 12.4° | 173.9° |
| C2 | C1 | C7 | F9 | 64.3° | 65.2° |
| C2 | C1 | C6 | N5 | 0.2° | 0.0° |
| C2 | C1 | C6 | C7 | 178.6° | 179.7° |
| C2 | C1 | C7 | F8 | 52.0° | 174.8° |
| C2 | C1 | C7 | F10 | 176.3° | 54.8° |
| C2 | C1 | C6 | H11 | 179.8° | 179.7° |
| F9 | C7 | C1 | C6 | 114.2° | 115.1° |
| F9 | C7 | C1 | F8 | 116.3° | 120.0° |
| F9 | C7 | C1 | F10 | 119.5° | 120.0° |
| F9 | C7 | F8 | F10 | 111.9° | 120.0° |
| N5 | C6 | C1 | H11 | 180.0° | 179.7° |
| N5 | C6 | C1 | C7 | 178.7° | 179.7° |
| C6 | C1 | C7 | F8 | 129.5° | 4.9° |
| C6 | C1 | C7 | F10 | 5.3° | 124.9° |
| C1 | C7 | F8 | F10 | 126.8° | 120.0° |
| C7 | C1 | C6 | H11 | 1.2° | 0.0° |
| H2 | C14 | C15 | H3 | 0.5° | 0.0° |
| H4 | C27 | C26 | H18 | 0.6° | 0.1° |
| H4 | C27 | C28 | H19 | 0.1° | 0.1° |
| H5 | C32 | H6 | H7 | 120.0° | 119.9° |
| H8 | C34 | H9 | H10 | 120.0° | 120.0° |
| H17 | C25 | C26 | H18 | 0.7° | 0.0° |
