P9H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C15 | doub | 1.21Å | 1.16Å | |
| O2 | C15 | sing | 1.34Å | 1.24Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| C14 | N1 | sing | 1.47Å | 1.45Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| N | C11 | sing | 1.35Å | 1.33Å | |
| N | C10 | sing | 1.46Å | 1.45Å | |
| O4 | C16 | doub | 1.21Å | 1.22Å | |
| S | C9 | sing | 1.81Å | 1.81Å | |
| S | C2 | sing | 1.81Å | 1.85Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | O3 | doub | 1.21Å | 1.21Å | |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.36Å | Aromatic |
| C10 | C16 | sing | 1.51Å | 1.53Å | |
| C8 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | N2 | sing | 1.35Å | 1.32Å | |
| C6 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| N2 | C17 | sing | 1.46Å | 1.44Å | |
| C1 | C | sing | 1.51Å | 1.49Å | |
| C17 | C18 | sing | 1.51Å | 1.50Å | |
| C | O | doub | 1.21Å | 1.18Å | |
| C18 | O6 | doub | 1.21Å | 1.27Å | |
| C18 | O5 | sing | 1.34Å | 1.17Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| N | H14 | sing | 0.97Å | 1.00Å | |
| C | H15 | sing | 1.08Å | 1.08Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| N2 | H24 | sing | 0.97Å | 1.00Å | |
| O2 | H25 | sing | 0.97Å | 0.95Å | |
| O5 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C15 | O2 | 123.1° | 119.9° |
| O1 | C15 | C14 | 123.8° | 120.1° |
| O2 | C15 | C14 | 113.1° | 120.0° |
| C15 | O2 | H25 | 109.5° | 117.0° |
| C15 | C14 | N1 | 112.2° | 109.4° |
| C15 | C14 | C13 | 111.3° | 109.5° |
| C15 | C14 | H20 | 107.6° | 109.5° |
| N1 | C14 | C13 | 109.4° | 109.4° |
| C14 | N1 | H1 | 109.5° | 111.1° |
| C14 | N1 | H2 | 109.5° | 111.0° |
| N1 | C14 | H20 | 108.6° | 109.5° |
| C14 | C13 | C12 | 113.0° | 109.5° |
| C14 | C13 | H10 | 108.6° | 109.5° |
| C14 | C13 | H11 | 108.6° | 109.5° |
| C13 | C14 | H20 | 107.6° | 109.5° |
| C13 | C12 | C11 | 113.7° | 109.5° |
| C12 | C13 | H10 | 108.6° | 109.5° |
| C12 | C13 | H11 | 108.6° | 109.5° |
| C13 | C12 | H18 | 108.4° | 109.4° |
| C13 | C12 | H19 | 108.4° | 109.5° |
| C12 | C11 | N | 115.7° | 120.0° |
| C12 | C11 | O3 | 121.5° | 120.0° |
| C11 | C12 | H18 | 108.4° | 109.5° |
| C11 | C12 | H19 | 108.4° | 109.5° |
| C11 | N | C10 | 122.7° | 120.0° |
| N | C11 | O3 | 122.8° | 119.9° |
| C11 | N | H14 | 118.6° | 119.9° |
| N | C10 | C9 | 113.0° | 109.5° |
| N | C10 | C16 | 107.8° | 109.5° |
| N | C10 | H9 | 109.4° | 109.5° |
| C10 | N | H14 | 118.7° | 120.0° |
| O4 | C16 | C10 | 121.0° | 120.0° |
| O4 | C16 | N2 | 122.2° | 120.0° |
| C9 | S | C2 | 108.5° | 103.0° |
| S | C9 | C10 | 117.3° | 109.5° |
| S | C9 | H22 | 107.5° | 109.5° |
| S | C9 | H23 | 107.5° | 109.4° |
| S | C2 | C3 | 112.0° | 109.5° |
| S | C2 | C1 | 111.3° | 109.5° |
| S | C2 | H21 | 104.6° | 109.5° |
| C9 | C10 | C16 | 110.1° | 109.4° |
| C9 | C10 | H9 | 108.2° | 109.5° |
| C10 | C9 | H22 | 107.5° | 109.5° |
| C10 | C9 | H23 | 107.5° | 109.5° |
| C8 | C7 | C6 | 120.2° | 120.0° |
| C7 | C8 | C3 | 120.9° | 120.0° |
| C8 | C7 | H7 | 119.9° | 120.0° |
| C7 | C8 | H8 | 119.5° | 120.0° |
| C7 | C6 | C5 | 119.7° | 120.0° |
| C7 | C6 | H6 | 120.1° | 120.0° |
| C6 | C7 | H7 | 119.9° | 120.0° |
| C10 | C16 | N2 | 116.7° | 120.0° |
| C16 | C10 | H9 | 108.3° | 109.5° |
| C8 | C3 | C2 | 121.5° | 120.0° |
| C8 | C3 | C4 | 118.0° | 120.0° |
| C3 | C8 | H8 | 119.6° | 119.9° |
| C16 | N2 | C17 | 121.8° | 120.0° |
| C16 | N2 | H24 | 119.1° | 120.0° |
| C6 | C5 | C4 | 120.3° | 120.0° |
| C6 | C5 | H5 | 119.8° | 120.0° |
| C5 | C6 | H6 | 120.1° | 120.0° |
| C2 | C3 | C4 | 120.4° | 120.0° |
| C3 | C2 | C1 | 112.5° | 109.5° |
| C3 | C2 | H21 | 108.0° | 109.5° |
| C3 | C4 | C5 | 120.8° | 120.0° |
| C3 | C4 | H4 | 119.6° | 120.0° |
| C2 | C1 | C | 109.4° | 109.5° |
| C2 | C1 | H16 | 109.5° | 109.4° |
| C2 | C1 | H17 | 109.5° | 109.5° |
| C1 | C2 | H21 | 108.0° | 109.4° |
| C5 | C4 | H4 | 119.6° | 120.0° |
| C4 | C5 | H5 | 119.9° | 120.0° |
| N2 | C17 | C18 | 113.4° | 109.5° |
| N2 | C17 | H12 | 108.5° | 109.5° |
| N2 | C17 | H13 | 108.5° | 109.5° |
| C17 | N2 | H24 | 119.1° | 120.0° |
| C1 | C | O | 125.9° | 120.0° |
| C1 | C | H15 | 117.0° | 120.0° |
| C | C1 | H16 | 109.5° | 109.5° |
| C | C1 | H17 | 109.5° | 109.5° |
| C17 | C18 | O6 | 115.8° | 120.0° |
| C17 | C18 | O5 | 122.1° | 120.0° |
| C18 | C17 | H12 | 108.5° | 109.4° |
| C18 | C17 | H13 | 108.5° | 109.5° |
| O | C | H15 | 117.1° | 120.0° |
| O6 | C18 | O5 | 122.0° | 120.0° |
| C18 | O5 | H26 | 109.5° | 117.0° |
| H1 | N1 | H2 | 109.5° | 110.9° |
| H10 | C13 | H11 | 109.5° | 109.4° |
| H12 | C17 | H13 | 109.5° | 109.5° |
| H16 | C1 | H17 | 109.4° | 109.5° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| H22 | C9 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C15 | O2 | C14 | 179.5° | 180.0° |
| O1 | C15 | C14 | N1 | 147.9° | 20.0° |
| O1 | C15 | C14 | C13 | 89.2° | 99.9° |
| O1 | C15 | C14 | H20 | 28.4° | 140.0° |
| O1 | C15 | O2 | H25 | 0.0° | 0.0° |
| O2 | C15 | C14 | N1 | 32.7° | 160.0° |
| O2 | C15 | C14 | C13 | 90.3° | 80.0° |
| O2 | C15 | C14 | H20 | 152.1° | 40.0° |
| C15 | C14 | N1 | C13 | 124.0° | 120.0° |
| C15 | C14 | N1 | H20 | 118.8° | 120.0° |
| C15 | C14 | C13 | H20 | 117.7° | 120.1° |
| C15 | C14 | C13 | C12 | 65.8° | 175.1° |
| C15 | C14 | N1 | H1 | 180.0° | 64.0° |
| C15 | C14 | N1 | H2 | 60.0° | 60.0° |
| C15 | C14 | C13 | H10 | 173.7° | 55.0° |
| C15 | C14 | C13 | H11 | 54.7° | 64.9° |
| C14 | C15 | O2 | H25 | 179.5° | 180.0° |
| N1 | C14 | C13 | H20 | 117.8° | 120.0° |
| N1 | C14 | C13 | C12 | 169.7° | 65.0° |
| C14 | N1 | H1 | H2 | 120.0° | 124.0° |
| N1 | C14 | C13 | H10 | 49.2° | 175.0° |
| N1 | C14 | C13 | H11 | 69.8° | 55.0° |
| C14 | C13 | C12 | H10 | 120.5° | 120.0° |
| C14 | C13 | C12 | H11 | 120.5° | 120.0° |
| C14 | C13 | C12 | C11 | 176.3° | 180.0° |
| C13 | C14 | N1 | H1 | 56.0° | 176.0° |
| C13 | C14 | N1 | H2 | 176.0° | 60.0° |
| C14 | C13 | H10 | H11 | 118.4° | 120.0° |
| C14 | C13 | C12 | H18 | 55.7° | 60.0° |
| C14 | C13 | C12 | H19 | 63.1° | 60.0° |
| C13 | C12 | C11 | H18 | 120.6° | 120.0° |
| C13 | C12 | C11 | H19 | 120.6° | 120.0° |
| C13 | C12 | C11 | N | 159.4° | 180.0° |
| C13 | C12 | C11 | O3 | 18.6° | 0.0° |
| C12 | C13 | H10 | H11 | 118.4° | 120.0° |
| C13 | C12 | H18 | H19 | 118.1° | 120.0° |
| C12 | C13 | C14 | H20 | 51.9° | 55.0° |
| C12 | C11 | N | O3 | 178.0° | 179.9° |
| C12 | C11 | N | C10 | 172.7° | 180.0° |
| C11 | C12 | C13 | H10 | 63.2° | 59.9° |
| C11 | C12 | C13 | H11 | 55.8° | 60.0° |
| C12 | C11 | N | H14 | 7.3° | 0.0° |
| C11 | C12 | H18 | H19 | 118.0° | 120.0° |
| C11 | N | C10 | H14 | 180.0° | 180.0° |
| C11 | N | C10 | C9 | 131.5° | 155.1° |
| C11 | N | C10 | C16 | 106.6° | 85.0° |
| C11 | N | C10 | H9 | 10.9° | 35.0° |
| N | C11 | C12 | H18 | 38.8° | 60.0° |
| N | C11 | C12 | H19 | 79.9° | 60.0° |
| N | C10 | C16 | O4 | 53.1° | 0.0° |
| N | C10 | C9 | S | 71.9° | 60.0° |
| N | C10 | C9 | C16 | 120.6° | 120.0° |
| N | C10 | C9 | H9 | 121.2° | 120.0° |
| C10 | N | C11 | O3 | 9.3° | 0.1° |
| N | C10 | C16 | H9 | 118.2° | 120.0° |
| N | C10 | C16 | N2 | 126.0° | 180.0° |
| N | C10 | C9 | H22 | 167.0° | 60.0° |
| N | C10 | C9 | H23 | 49.2° | 180.0° |
| O4 | C16 | C10 | C9 | 70.6° | 120.0° |
| O4 | C16 | C10 | N2 | 179.1° | 180.0° |
| O4 | C16 | N2 | C17 | 2.1° | 0.0° |
| O4 | C16 | C10 | H9 | 171.3° | 120.0° |
| O4 | C16 | N2 | H24 | 177.9° | 180.0° |
| S | C9 | C10 | H22 | 121.1° | 120.0° |
| S | C9 | C10 | H23 | 121.1° | 120.0° |
| S | C9 | C10 | C16 | 167.5° | 180.0° |
| C9 | S | C2 | C3 | 153.0° | 66.9° |
| C9 | S | C2 | C1 | 26.1° | 173.1° |
| S | C9 | C10 | H9 | 49.3° | 60.0° |
| C9 | S | C2 | H21 | 90.3° | 53.2° |
| S | C9 | H22 | H23 | 116.4° | 120.0° |
| C2 | S | C9 | C10 | 88.7° | 174.8° |
| S | C2 | C3 | C8 | 64.2° | 120.0° |
| S | C2 | C3 | C1 | 126.3° | 120.0° |
| S | C2 | C3 | H21 | 114.6° | 120.0° |
| S | C2 | C3 | C4 | 116.1° | 59.4° |
| S | C2 | C1 | H21 | 114.3° | 119.9° |
| S | C2 | C1 | C | 156.5° | 65.6° |
| S | C2 | C1 | H16 | 36.5° | 54.4° |
| S | C2 | C1 | H17 | 83.5° | 174.4° |
| C2 | S | C9 | H22 | 32.4° | 54.8° |
| C2 | S | C9 | H23 | 150.2° | 65.2° |
| C9 | C10 | C16 | H9 | 118.1° | 120.0° |
| C9 | C10 | C16 | N2 | 110.4° | 60.0° |
| C9 | C10 | N | H14 | 48.5° | 25.0° |
| C10 | C9 | H22 | H23 | 116.4° | 120.0° |
| O3 | C11 | N | H14 | 170.7° | 180.0° |
| O3 | C11 | C12 | H18 | 139.2° | 120.0° |
| O3 | C11 | C12 | H19 | 102.1° | 120.0° |
| C8 | C7 | C6 | H7 | 180.0° | 179.8° |
| C7 | C8 | C3 | H8 | 180.0° | 179.8° |
| C8 | C7 | C6 | C5 | 0.2° | 0.0° |
| C7 | C8 | C3 | C2 | 180.0° | 179.9° |
| C7 | C8 | C3 | C4 | 0.2° | 0.5° |
| C8 | C7 | C6 | H6 | 179.8° | 179.9° |
| C6 | C7 | C8 | C3 | 0.0° | 0.2° |
| C7 | C6 | C5 | H6 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 0.1° | 0.1° |
| C7 | C6 | C5 | H5 | 179.8° | 180.0° |
| C6 | C7 | C8 | H8 | 180.0° | 179.9° |
| C10 | C16 | N2 | C17 | 177.0° | 180.0° |
| C16 | C10 | N | H14 | 73.4° | 95.0° |
| C16 | C10 | C9 | H22 | 46.4° | 60.0° |
| C16 | C10 | C9 | H23 | 71.4° | 60.0° |
| C10 | C16 | N2 | H24 | 3.0° | 0.1° |
| C8 | C3 | C2 | C4 | 179.8° | 179.4° |
| C8 | C3 | C2 | C1 | 62.1° | 120.0° |
| C8 | C3 | C4 | C5 | 0.2° | 0.6° |
| C8 | C3 | C4 | H4 | 179.8° | 179.7° |
| C3 | C8 | C7 | H7 | 180.0° | 180.0° |
| C8 | C3 | C2 | H21 | 178.8° | 0.0° |
| C16 | N2 | C17 | H24 | 180.0° | 179.9° |
| C16 | N2 | C17 | C18 | 120.5° | 180.0° |
| N2 | C16 | C10 | H9 | 7.7° | 60.0° |
| C16 | N2 | C17 | H12 | 118.9° | 60.0° |
| C16 | N2 | C17 | H13 | 0.1° | 60.0° |
| C6 | C5 | C4 | C3 | 0.0° | 0.4° |
| C6 | C5 | C4 | H5 | 180.0° | 179.9° |
| C6 | C5 | C4 | H4 | 180.0° | 179.9° |
| C5 | C6 | C7 | H7 | 179.9° | 179.8° |
| C3 | C2 | C1 | H21 | 119.0° | 120.0° |
| C2 | C3 | C4 | C5 | 180.0° | 180.0° |
| C3 | C2 | C1 | C | 29.9° | 174.4° |
| C2 | C3 | C4 | H4 | 0.0° | 0.3° |
| C2 | C3 | C8 | H8 | 0.1° | 0.2° |
| C3 | C2 | C1 | H16 | 90.1° | 65.7° |
| C3 | C2 | C1 | H17 | 149.9° | 54.4° |
| C4 | C3 | C2 | C1 | 117.7° | 60.6° |
| C3 | C4 | C5 | H4 | 180.0° | 179.7° |
| C3 | C4 | C5 | H5 | 180.0° | 179.7° |
| C4 | C3 | C8 | H8 | 179.9° | 179.7° |
| C4 | C3 | C2 | H21 | 1.4° | 179.4° |
| C2 | C1 | C | H16 | 120.0° | 120.0° |
| C2 | C1 | C | H17 | 120.0° | 120.0° |
| C2 | C1 | C | O | 118.8° | 122.1° |
| C2 | C1 | C | H15 | 61.2° | 58.0° |
| C2 | C1 | H16 | H17 | 120.0° | 120.0° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| N2 | C17 | C18 | H12 | 120.6° | 120.0° |
| N2 | C17 | C18 | H13 | 120.6° | 120.0° |
| N2 | C17 | C18 | O6 | 0.0° | 0.0° |
| N2 | C17 | C18 | O5 | 178.2° | 180.0° |
| N2 | C17 | H12 | H13 | 118.2° | 120.0° |
| C1 | C | O | H15 | 180.0° | 179.9° |
| C | C1 | H16 | H17 | 120.1° | 120.0° |
| C | C1 | C2 | H21 | 89.2° | 54.3° |
| C17 | C18 | O6 | O5 | 178.2° | 179.9° |
| C18 | C17 | H12 | H13 | 118.2° | 120.0° |
| C18 | C17 | N2 | H24 | 59.5° | 0.0° |
| C17 | C18 | O5 | H26 | 178.1° | 180.0° |
| O | C | C1 | H16 | 121.2° | 118.0° |
| O | C | C1 | H17 | 1.2° | 2.0° |
| O6 | C18 | C17 | H12 | 120.6° | 120.0° |
| O6 | C18 | C17 | H13 | 120.6° | 120.0° |
| O6 | C18 | O5 | H26 | 0.0° | 0.1° |
| O5 | C18 | C17 | H12 | 57.6° | 60.0° |
| O5 | C18 | C17 | H13 | 61.2° | 60.0° |
| H1 | N1 | C14 | H20 | 61.2° | 56.1° |
| H2 | N1 | C14 | H20 | 58.8° | 180.0° |
| H4 | C4 | C5 | H5 | 0.0° | 0.1° |
| H5 | C5 | C6 | H6 | 0.2° | 0.1° |
| H6 | C6 | C7 | H7 | 0.1° | 0.3° |
| H7 | C7 | C8 | H8 | 0.0° | 0.2° |
| H9 | C10 | N | H14 | 169.0° | 145.0° |
| H9 | C10 | C9 | H22 | 71.8° | 180.0° |
| H9 | C10 | C9 | H23 | 170.5° | 60.0° |
| H10 | C13 | C12 | H18 | 176.2° | 60.1° |
| H10 | C13 | C12 | H19 | 57.4° | 180.0° |
| H10 | C13 | C14 | H20 | 68.6° | 65.1° |
| H11 | C13 | C12 | H18 | 64.8° | 180.0° |
| H11 | C13 | C12 | H19 | 176.4° | 60.0° |
| H11 | C13 | C14 | H20 | 172.4° | 175.0° |
| H12 | C17 | N2 | H24 | 61.1° | 120.0° |
| H13 | C17 | N2 | H24 | 180.0° | 120.0° |
| H15 | C | C1 | H16 | 58.8° | 62.0° |
| H15 | C | C1 | H17 | 178.8° | 178.0° |
| H16 | C1 | C2 | H21 | 150.8° | 174.3° |
| H17 | C1 | C2 | H21 | 30.8° | 65.7° |
