8PO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O08 | C05 | sing | 1.36Å | 1.40Å | |
| C04 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.52Å | |
| C01 | C16 | sing | 1.51Å | 1.53Å | |
| C01 | N09 | sing | 1.47Å | 1.44Å | |
| O11 | C10 | doub | 1.21Å | 1.18Å | |
| O17 | C16 | doub | 1.21Å | 1.25Å | |
| C16 | O18 | sing | 1.34Å | 1.26Å | |
| N09 | C10 | sing | 1.35Å | 1.42Å | |
| C10 | C12 | sing | 1.51Å | 1.52Å | |
| C15 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | S14 | sing | 1.81Å | 1.82Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| O18 | H3 | sing | 0.97Å | 0.95Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.08Å | 1.08Å | |
| C04 | H7 | sing | 1.08Å | 1.08Å | |
| C06 | H8 | sing | 1.08Å | 1.08Å | |
| C07 | H9 | sing | 1.08Å | 1.08Å | |
| O08 | H10 | sing | 0.97Å | 0.95Å | |
| N09 | H11 | sing | 0.97Å | 1.00Å | |
| S14 | H12 | sing | 1.35Å | 1.30Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O08 | C05 | C04 | 119.4° | 120.1° |
| O08 | C05 | C06 | 120.6° | 120.0° |
| C05 | O08 | H10 | 109.5° | 114.0° |
| C05 | C04 | C03 | 119.9° | 119.9° |
| C04 | C05 | C06 | 120.0° | 119.9° |
| C05 | C04 | H7 | 120.0° | 120.1° |
| C04 | C03 | C02 | 120.0° | 120.1° |
| C04 | C03 | H6 | 120.0° | 119.9° |
| C03 | C04 | H7 | 120.0° | 120.1° |
| C05 | C06 | C07 | 120.4° | 120.0° |
| C05 | C06 | H8 | 119.8° | 120.0° |
| C03 | C02 | C07 | 120.3° | 120.1° |
| C03 | C02 | C01 | 118.0° | 120.0° |
| C02 | C03 | H6 | 120.0° | 120.0° |
| C06 | C07 | C02 | 119.4° | 120.0° |
| C07 | C06 | H8 | 119.8° | 120.0° |
| C06 | C07 | H9 | 120.3° | 120.0° |
| C07 | C02 | C01 | 121.7° | 119.9° |
| C02 | C07 | H9 | 120.3° | 119.9° |
| C02 | C01 | C16 | 105.2° | 109.5° |
| C02 | C01 | N09 | 116.1° | 109.4° |
| C02 | C01 | H5 | 110.5° | 109.5° |
| C16 | C01 | N09 | 102.6° | 109.5° |
| C01 | C16 | O17 | 120.9° | 120.0° |
| C01 | C16 | O18 | 118.3° | 120.0° |
| C16 | C01 | H5 | 110.3° | 109.5° |
| C01 | N09 | C10 | 120.9° | 120.0° |
| N09 | C01 | H5 | 111.6° | 109.5° |
| C01 | N09 | H11 | 119.5° | 120.0° |
| O11 | C10 | N09 | 120.1° | 120.0° |
| O11 | C10 | C12 | 122.1° | 120.0° |
| O17 | C16 | O18 | 120.9° | 120.0° |
| C16 | O18 | H3 | 109.5° | 117.0° |
| N09 | C10 | C12 | 117.8° | 120.0° |
| C10 | N09 | H11 | 119.5° | 120.0° |
| C10 | C12 | C15 | 108.3° | 109.5° |
| C10 | C12 | C13 | 106.9° | 109.4° |
| C10 | C12 | H4 | 110.7° | 109.5° |
| C15 | C12 | C13 | 109.6° | 109.5° |
| C15 | C12 | H4 | 110.6° | 109.5° |
| C12 | C15 | H13 | 109.5° | 109.4° |
| C12 | C15 | H14 | 109.5° | 109.5° |
| C12 | C15 | H15 | 109.5° | 109.5° |
| C12 | C13 | S14 | 112.0° | 109.4° |
| C12 | C13 | H1 | 108.8° | 109.4° |
| C12 | C13 | H2 | 108.8° | 109.4° |
| C13 | C12 | H4 | 110.7° | 109.5° |
| S14 | C13 | H1 | 108.9° | 109.5° |
| S14 | C13 | H2 | 108.8° | 109.5° |
| C13 | S14 | H12 | 102.0° | 103.0° |
| H1 | C13 | H2 | 109.5° | 109.6° |
| H13 | C15 | H14 | 109.4° | 109.5° |
| H13 | C15 | H15 | 109.5° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O08 | C05 | C04 | C06 | 179.8° | 180.0° |
| O08 | C05 | C04 | C03 | 179.2° | 180.0° |
| O08 | C05 | C06 | C07 | 179.1° | 180.0° |
| O08 | C05 | C04 | H7 | 0.8° | 0.0° |
| O08 | C05 | C06 | H8 | 0.9° | 0.0° |
| C05 | C04 | C03 | H7 | 180.0° | 179.9° |
| C05 | C04 | C03 | C02 | 0.7° | 0.0° |
| C04 | C05 | C06 | C07 | 1.1° | 0.0° |
| C05 | C04 | C03 | H6 | 179.3° | 179.9° |
| C04 | C05 | C06 | H8 | 179.0° | 180.0° |
| C04 | C05 | O08 | H10 | 180.0° | 89.9° |
| C03 | C04 | C05 | C06 | 1.0° | 0.0° |
| C04 | C03 | C02 | H6 | 180.0° | 180.0° |
| C04 | C03 | C02 | C07 | 0.5° | 0.0° |
| C04 | C03 | C02 | C01 | 177.8° | 179.8° |
| C05 | C06 | C07 | H8 | 180.0° | 180.0° |
| C05 | C06 | C07 | C02 | 0.9° | 0.0° |
| C06 | C05 | C04 | H7 | 179.0° | 180.0° |
| C05 | C06 | C07 | H9 | 179.1° | 179.8° |
| C06 | C05 | O08 | H10 | 0.2° | 90.0° |
| C03 | C02 | C07 | C06 | 0.6° | 0.0° |
| C03 | C02 | C07 | C01 | 178.2° | 179.8° |
| C03 | C02 | C01 | C16 | 104.9° | 80.2° |
| C03 | C02 | C01 | N09 | 142.5° | 39.8° |
| C03 | C02 | C01 | H5 | 14.1° | 159.7° |
| C02 | C03 | C04 | H7 | 179.3° | 180.0° |
| C03 | C02 | C07 | H9 | 179.4° | 179.8° |
| C06 | C07 | C02 | H9 | 180.0° | 179.8° |
| C06 | C07 | C02 | C01 | 177.6° | 179.8° |
| C07 | C02 | C01 | C16 | 73.4° | 100.0° |
| C07 | C02 | C01 | N09 | 39.2° | 140.0° |
| C07 | C02 | C01 | H5 | 167.6° | 20.0° |
| C07 | C02 | C03 | H6 | 179.5° | 180.0° |
| C02 | C07 | C06 | H8 | 179.2° | 180.0° |
| C02 | C01 | C16 | N09 | 121.8° | 120.0° |
| C02 | C01 | C16 | H5 | 119.2° | 120.1° |
| C02 | C01 | N09 | H5 | 127.8° | 120.0° |
| C02 | C01 | C16 | O17 | 84.9° | 119.9° |
| C02 | C01 | C16 | O18 | 95.6° | 60.0° |
| C02 | C01 | N09 | C10 | 136.6° | 155.0° |
| C01 | C02 | C03 | H6 | 2.2° | 0.3° |
| C01 | C02 | C07 | H9 | 2.4° | 0.0° |
| C02 | C01 | N09 | H11 | 43.3° | 25.0° |
| C16 | C01 | N09 | H5 | 118.1° | 120.0° |
| C01 | C16 | O17 | O18 | 179.4° | 180.0° |
| C16 | C01 | N09 | C10 | 109.2° | 85.0° |
| C01 | C16 | O18 | H3 | 179.5° | 180.0° |
| C16 | C01 | N09 | H11 | 70.8° | 95.0° |
| C01 | N09 | C10 | O11 | 3.4° | 0.0° |
| N09 | C01 | C16 | O17 | 153.3° | 0.0° |
| N09 | C01 | C16 | O18 | 26.2° | 180.0° |
| C01 | N09 | C10 | H11 | 180.0° | 180.0° |
| C01 | N09 | C10 | C12 | 176.6° | 180.0° |
| O11 | C10 | N09 | C12 | 180.0° | 180.0° |
| O11 | C10 | C12 | C15 | 43.8° | 120.0° |
| O11 | C10 | C12 | C13 | 74.2° | 0.0° |
| O11 | C10 | C12 | H4 | 165.2° | 120.0° |
| O11 | C10 | N09 | H11 | 176.6° | 180.0° |
| O17 | C16 | O18 | H3 | 0.0° | 0.0° |
| O17 | C16 | C01 | H5 | 34.3° | 120.0° |
| O18 | C16 | C01 | H5 | 145.2° | 60.0° |
| N09 | C10 | C12 | C15 | 136.2° | 60.0° |
| N09 | C10 | C12 | C13 | 105.8° | 180.0° |
| N09 | C10 | C12 | H4 | 14.8° | 60.0° |
| C10 | N09 | C01 | H5 | 8.8° | 35.0° |
| C10 | C12 | C15 | C13 | 116.2° | 120.0° |
| C10 | C12 | C15 | H4 | 121.4° | 120.0° |
| C10 | C12 | C13 | H4 | 120.7° | 120.0° |
| C10 | C12 | C13 | S14 | 61.8° | 175.0° |
| C10 | C12 | C13 | H1 | 58.5° | 55.0° |
| C10 | C12 | C13 | H2 | 177.8° | 65.0° |
| C12 | C10 | N09 | H11 | 3.4° | 0.0° |
| C10 | C12 | C15 | H13 | 180.0° | 180.0° |
| C10 | C12 | C15 | H14 | 60.0° | 60.0° |
| C10 | C12 | C15 | H15 | 60.0° | 60.0° |
| C15 | C12 | C13 | H4 | 122.3° | 120.0° |
| C15 | C12 | C13 | S14 | 178.9° | 65.0° |
| C15 | C12 | C13 | H1 | 58.6° | 175.0° |
| C15 | C12 | C13 | H2 | 60.7° | 55.0° |
| C12 | C15 | H13 | H14 | 120.0° | 120.0° |
| C12 | C15 | H13 | H15 | 120.0° | 120.0° |
| C12 | C15 | H14 | H15 | 120.0° | 120.0° |
| C12 | C13 | S14 | H1 | 120.4° | 120.0° |
| C12 | C13 | S14 | H2 | 120.4° | 119.9° |
| C12 | C13 | H1 | H2 | 118.8° | 120.0° |
| C12 | C13 | S14 | H12 | 180.0° | 180.0° |
| C13 | C12 | C15 | H13 | 63.8° | 60.0° |
| C13 | C12 | C15 | H14 | 56.2° | 60.0° |
| C13 | C12 | C15 | H15 | 176.2° | 180.0° |
| S14 | C13 | H1 | H2 | 118.9° | 120.1° |
| S14 | C13 | C12 | H4 | 58.8° | 55.0° |
| H1 | C13 | C12 | H4 | 179.2° | 65.0° |
| H1 | C13 | S14 | H12 | 59.7° | 60.1° |
| H2 | C13 | C12 | H4 | 61.6° | 175.0° |
| H2 | C13 | S14 | H12 | 59.6° | 60.0° |
| H4 | C12 | C15 | H13 | 58.6° | 60.0° |
| H4 | C12 | C15 | H14 | 178.5° | 180.0° |
| H4 | C12 | C15 | H15 | 61.5° | 60.0° |
| H5 | C01 | N09 | H11 | 171.1° | 145.0° |
| H6 | C03 | C04 | H7 | 0.7° | 0.0° |
| H8 | C06 | C07 | H9 | 0.9° | 0.2° |
| H13 | C15 | H14 | H15 | 120.0° | 120.0° |
