C9P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.39Å | 1.45Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.46Å | Aromatic |
| C1 | B | sing | 1.57Å | 1.59Å | |
| S1 | N1 | sing | 1.66Å | 1.72Å | |
| N1 | C3 | sing | 1.39Å | 1.50Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C11 | C16 | doub | 1.38Å | 1.48Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.46Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | doub | 1.38Å | 1.47Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.38Å | 1.46Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | doub | 1.38Å | 1.46Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | C11 | sing | 1.38Å | 1.49Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.33Å | 1.34Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.45Å | Aromatic |
| C8 | S2 | sing | 1.76Å | 1.73Å | |
| C10 | C9 | doub | 1.33Å | 1.35Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| B | O1 | sing | 1.42Å | 1.50Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C3 | C2 | sing | 1.39Å | 1.46Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.40Å | 1.49Å | Aromatic |
| C01 | C4 | sing | 1.48Å | 1.52Å | |
| C4 | C5 | sing | 1.40Å | 1.44Å | Aromatic |
| O4 | S1 | doub | 1.42Å | 1.44Å | |
| S1 | C10 | sing | 1.76Å | 1.77Å | |
| S3 | C10 | sing | 1.76Å | 1.78Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.45Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| S2 | O5 | doub | 1.42Å | 1.48Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| S3 | C7 | sing | 1.76Å | 1.77Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| S1 | O3 | doub | 1.42Å | 1.46Å | |
| O01 | C01 | doub | 1.21Å | 1.28Å | |
| C01 | O02 | sing | 1.35Å | 1.29Å | |
| O02 | HO02 | sing | 0.97Å | 0.95Å | |
| B | O2 | sing | 1.42Å | 1.47Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| S2 | O6 | doub | 1.42Å | 1.40Å | |
| S2 | C11 | sing | 1.76Å | 1.78Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.0° | 120.2° |
| C2 | C1 | B | 120.3° | 119.9° |
| C1 | C2 | C3 | 120.7° | 119.9° |
| C1 | C2 | H2 | 119.6° | 120.0° |
| C6 | C1 | B | 120.7° | 119.9° |
| C1 | C6 | C5 | 121.0° | 120.2° |
| C1 | C6 | H6 | 119.5° | 119.9° |
| C1 | B | O1 | 109.8° | 120.0° |
| C1 | B | O2 | 112.3° | 120.0° |
| S1 | N1 | C3 | 124.7° | 120.0° |
| S1 | N1 | HN1 | 104.7° | 120.0° |
| N1 | S1 | O4 | 105.1° | 106.4° |
| N1 | S1 | C10 | 109.2° | 107.2° |
| N1 | S1 | O3 | 108.9° | 106.4° |
| C3 | N1 | HN1 | 104.7° | 120.0° |
| N1 | C3 | C2 | 118.8° | 120.1° |
| N1 | C3 | C4 | 121.8° | 120.1° |
| C11 | C16 | C15 | 120.6° | 120.0° |
| C11 | C16 | H16 | 119.7° | 120.0° |
| C16 | C11 | C12 | 118.7° | 120.0° |
| C16 | C11 | S2 | 120.6° | 120.0° |
| C15 | C16 | H16 | 119.7° | 120.0° |
| C16 | C15 | C14 | 119.9° | 120.0° |
| C16 | C15 | H15 | 120.1° | 120.0° |
| C14 | C15 | H15 | 120.0° | 120.0° |
| C15 | C14 | C13 | 120.5° | 120.0° |
| C15 | C14 | H14 | 119.7° | 120.0° |
| C13 | C14 | H14 | 119.7° | 120.0° |
| C14 | C13 | C12 | 120.0° | 120.0° |
| C14 | C13 | H13 | 120.0° | 120.0° |
| C12 | C13 | H13 | 120.0° | 120.0° |
| C13 | C12 | C11 | 120.3° | 120.0° |
| C13 | C12 | H12 | 119.8° | 120.0° |
| C11 | C12 | H12 | 119.9° | 120.0° |
| C12 | C11 | S2 | 120.7° | 120.0° |
| C7 | C8 | C9 | 113.5° | 114.9° |
| C7 | C8 | S2 | 124.4° | 122.5° |
| C8 | C7 | S3 | 112.8° | 109.6° |
| C8 | C7 | H7 | 123.6° | 125.2° |
| C9 | C8 | S2 | 122.1° | 122.5° |
| C8 | C9 | C10 | 111.4° | 114.9° |
| C8 | C9 | H9 | 124.3° | 122.5° |
| C8 | S2 | O5 | 106.3° | 106.4° |
| C8 | S2 | O6 | 110.8° | 106.4° |
| C8 | S2 | C11 | 108.3° | 107.2° |
| C10 | C9 | H9 | 124.3° | 122.5° |
| C9 | C10 | S1 | 125.6° | 125.2° |
| C9 | C10 | S3 | 113.7° | 109.6° |
| B | O1 | HO1 | 109.5° | 114.0° |
| O1 | B | O2 | 110.6° | 120.0° |
| C3 | C2 | H2 | 119.7° | 120.0° |
| C2 | C3 | C4 | 119.4° | 119.7° |
| C3 | C4 | C01 | 118.2° | 120.1° |
| C3 | C4 | C5 | 119.4° | 119.8° |
| C01 | C4 | C5 | 122.4° | 120.1° |
| C4 | C01 | O01 | 125.3° | 120.0° |
| C4 | C01 | O02 | 118.0° | 120.0° |
| C4 | C5 | C6 | 120.5° | 120.0° |
| C4 | C5 | H5 | 119.7° | 120.0° |
| O4 | S1 | C10 | 106.6° | 106.4° |
| O4 | S1 | O3 | 118.0° | 123.2° |
| S1 | C10 | S3 | 120.8° | 125.2° |
| C10 | S1 | O3 | 108.8° | 106.4° |
| C10 | S3 | C7 | 88.6° | 91.0° |
| C6 | C5 | H5 | 119.8° | 119.9° |
| C5 | C6 | H6 | 119.5° | 119.9° |
| O5 | S2 | O6 | 122.8° | 123.1° |
| O5 | S2 | C11 | 104.6° | 106.4° |
| S3 | C7 | H7 | 123.6° | 125.2° |
| O01 | C01 | O02 | 116.7° | 120.0° |
| C01 | O02 | HO02 | 109.5° | 117.0° |
| B | O2 | HO2 | 109.5° | 114.0° |
| O6 | S2 | C11 | 103.1° | 106.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | B | 179.7° | 179.7° |
| C1 | C2 | C3 | N1 | 179.8° | 180.0° |
| C2 | C1 | B | O1 | 56.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C2 | C1 | C6 | C5 | 0.0° | 0.0° |
| C2 | C1 | C6 | H6 | 180.0° | 179.7° |
| C2 | C1 | B | O2 | 179.4° | 0.3° |
| C6 | C1 | B | O1 | 123.7° | 0.0° |
| C6 | C1 | C2 | C3 | 0.2° | 0.0° |
| C6 | C1 | C2 | H2 | 179.8° | 180.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 179.7° |
| C1 | C6 | C5 | H5 | 179.9° | 180.0° |
| C6 | C1 | B | O2 | 0.2° | 180.0° |
| C1 | B | O1 | O2 | 124.4° | 180.0° |
| C1 | B | O1 | HO1 | 50.8° | 180.0° |
| B | C1 | C2 | C3 | 179.5° | 179.7° |
| B | C1 | C2 | H2 | 0.5° | 0.3° |
| B | C1 | C6 | C5 | 179.6° | 179.7° |
| B | C1 | C6 | H6 | 0.4° | 0.1° |
| C1 | B | O2 | HO2 | 161.9° | 180.0° |
| S1 | N1 | C3 | HN1 | 120.0° | 180.0° |
| N1 | S1 | C10 | C9 | 68.6° | 90.0° |
| S1 | N1 | C3 | C2 | 81.5° | 35.7° |
| S1 | N1 | C3 | C4 | 98.4° | 144.3° |
| N1 | S1 | O4 | C10 | 115.9° | 114.1° |
| N1 | S1 | O4 | O3 | 121.5° | 123.0° |
| N1 | S1 | C10 | O3 | 118.7° | 113.6° |
| N1 | S1 | C10 | S3 | 111.3° | 89.9° |
| N1 | C3 | C2 | C4 | 179.9° | 180.0° |
| N1 | C3 | C2 | H2 | 0.3° | 0.0° |
| N1 | C3 | C4 | C01 | 0.1° | 0.0° |
| N1 | C3 | C4 | C5 | 179.9° | 180.0° |
| C3 | N1 | S1 | O4 | 151.4° | 53.1° |
| C3 | N1 | S1 | C10 | 37.4° | 60.4° |
| C3 | N1 | S1 | O3 | 81.3° | 174.0° |
| HN1 | N1 | C3 | C2 | 38.5° | 144.3° |
| HN1 | N1 | C3 | C4 | 141.6° | 35.7° |
| HN1 | N1 | S1 | O4 | 88.6° | 126.9° |
| HN1 | N1 | S1 | C10 | 157.4° | 119.6° |
| HN1 | N1 | S1 | O3 | 38.7° | 6.0° |
| C11 | C16 | C15 | H16 | 180.0° | 179.7° |
| C11 | C16 | C15 | C14 | 0.0° | 0.4° |
| C11 | C16 | C15 | H15 | 179.9° | 179.7° |
| C16 | C11 | C12 | C13 | 0.0° | 0.6° |
| C16 | C11 | C12 | S2 | 179.9° | 179.4° |
| C16 | C11 | C12 | H12 | 180.0° | 179.7° |
| C16 | C11 | S2 | C8 | 113.1° | 90.6° |
| C16 | C11 | S2 | O5 | 0.0° | 155.9° |
| C16 | C11 | S2 | O6 | 129.4° | 23.0° |
| C16 | C15 | C14 | H15 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 0.0° | 0.1° |
| C16 | C15 | C14 | H14 | 180.0° | 180.0° |
| C15 | C16 | C11 | C12 | 0.1° | 0.6° |
| C15 | C16 | C11 | S2 | 179.8° | 180.0° |
| H16 | C16 | C15 | C14 | 179.9° | 179.9° |
| H16 | C16 | C15 | H15 | 0.1° | 0.0° |
| H16 | C16 | C11 | C12 | 179.9° | 179.7° |
| H16 | C16 | C11 | S2 | 0.2° | 0.3° |
| C15 | C14 | C13 | H14 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.0° |
| C15 | C14 | C13 | H13 | 179.9° | 180.0° |
| H15 | C15 | C14 | C13 | 180.0° | 180.0° |
| H15 | C15 | C14 | H14 | 0.0° | 0.0° |
| C14 | C13 | C12 | H13 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.0° | 0.2° |
| C14 | C13 | C12 | H12 | 180.0° | 180.0° |
| H14 | C14 | C13 | C12 | 180.0° | 180.0° |
| H14 | C14 | C13 | H13 | 0.1° | 0.0° |
| C13 | C12 | C11 | H12 | 180.0° | 179.8° |
| C13 | C12 | C11 | S2 | 179.9° | 180.0° |
| H13 | C13 | C12 | C11 | 180.0° | 179.8° |
| H13 | C13 | C12 | H12 | 0.0° | 0.0° |
| C12 | C11 | S2 | C8 | 67.1° | 90.0° |
| C12 | C11 | S2 | O5 | 179.9° | 23.5° |
| C12 | C11 | S2 | O6 | 50.5° | 156.4° |
| H12 | C12 | C11 | S2 | 0.1° | 0.3° |
| C7 | C8 | C9 | S2 | 179.7° | 179.7° |
| C7 | C8 | C9 | C10 | 0.1° | 0.3° |
| C7 | C8 | C9 | H9 | 179.9° | 179.8° |
| C8 | C7 | S3 | C10 | 0.2° | 0.3° |
| C7 | C8 | S2 | O5 | 134.8° | 23.3° |
| C8 | C7 | S3 | H7 | 180.0° | 179.9° |
| C7 | C8 | S2 | O6 | 0.9° | 156.1° |
| C7 | C8 | S2 | C11 | 113.3° | 90.3° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | S1 | 179.8° | 180.0° |
| C8 | C9 | C10 | S3 | 0.1° | 0.0° |
| C9 | C8 | S2 | O5 | 44.8° | 156.4° |
| C9 | C8 | C7 | S3 | 0.2° | 0.4° |
| C9 | C8 | C7 | H7 | 179.8° | 179.7° |
| C9 | C8 | S2 | O6 | 179.5° | 23.6° |
| C9 | C8 | S2 | C11 | 67.0° | 90.0° |
| S2 | C8 | C9 | C10 | 179.6° | 180.0° |
| S2 | C8 | C9 | H9 | 0.4° | 0.1° |
| C8 | S2 | O5 | O6 | 129.0° | 122.9° |
| C8 | S2 | O5 | C11 | 114.4° | 114.1° |
| S2 | C8 | C7 | S3 | 179.5° | 179.9° |
| S2 | C8 | C7 | H7 | 0.5° | 0.0° |
| C8 | S2 | O6 | C11 | 115.7° | 114.1° |
| C9 | C10 | S1 | O4 | 178.3° | 156.5° |
| C9 | C10 | S1 | S3 | 179.9° | 179.9° |
| C9 | C10 | S3 | C7 | 0.1° | 0.1° |
| C9 | C10 | S1 | O3 | 50.1° | 23.6° |
| H9 | C9 | C10 | S1 | 0.2° | 0.1° |
| H9 | C9 | C10 | S3 | 179.9° | 180.0° |
| O1 | B | O2 | HO2 | 39.0° | 0.0° |
| HO1 | O1 | B | O2 | 175.2° | 0.0° |
| C2 | C3 | C4 | C01 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| H2 | C2 | C3 | C4 | 179.8° | 180.0° |
| C3 | C4 | C01 | C5 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C3 | C4 | C01 | O01 | 0.0° | 0.1° |
| C3 | C4 | C01 | O02 | 180.0° | 180.0° |
| C01 | C4 | C5 | C6 | 179.9° | 180.0° |
| C01 | C4 | C5 | H5 | 0.1° | 0.0° |
| C4 | C01 | O01 | O02 | 180.0° | 179.9° |
| C4 | C01 | O02 | HO02 | 180.0° | 179.9° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 179.9° | 179.7° |
| C5 | C4 | C01 | O01 | 180.0° | 179.9° |
| C5 | C4 | C01 | O02 | 0.0° | 0.0° |
| O4 | S1 | C10 | O3 | 128.2° | 132.9° |
| O4 | S1 | C10 | S3 | 1.8° | 23.6° |
| S1 | C10 | S3 | C7 | 179.7° | 179.8° |
| C10 | S3 | C7 | H7 | 179.8° | 179.8° |
| S3 | C10 | S1 | O3 | 130.0° | 156.5° |
| H5 | C5 | C6 | H6 | 0.1° | 0.3° |
| O5 | S2 | O6 | C11 | 117.2° | 123.0° |
| O01 | C01 | O02 | HO02 | 0.0° | 0.0° |
