KP8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S06 | C07 | sing | 1.76Å | 1.78Å | |
| S06 | C05 | sing | 1.81Å | 1.85Å | |
| C07 | C08 | doub | 1.39Å | 1.41Å | Aromatic |
| C07 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.42Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| N29 | N28 | doub | 1.29Å | 1.29Å | Aromatic |
| N29 | N16 | sing | 1.29Å | 1.38Å | Aromatic |
| O14 | C13 | sing | 1.43Å | 1.42Å | |
| N28 | C18 | sing | 1.34Å | 1.38Å | Aromatic |
| C15 | N16 | sing | 1.46Å | 1.43Å | |
| C15 | C13 | sing | 1.53Å | 1.52Å | |
| C15 | C30 | sing | 1.53Å | 1.58Å | |
| N16 | C17 | sing | 1.35Å | 1.37Å | Aromatic |
| C05 | C13 | sing | 1.53Å | 1.50Å | |
| C05 | O04 | sing | 1.43Å | 1.44Å | |
| C03 | C30 | sing | 1.53Å | 1.47Å | |
| C03 | O04 | sing | 1.43Å | 1.41Å | |
| C03 | C02 | sing | 1.53Å | 1.50Å | |
| C18 | C17 | doub | 1.36Å | 1.35Å | Aromatic |
| C18 | C19 | sing | 1.49Å | 1.39Å | |
| C30 | O31 | sing | 1.43Å | 1.44Å | |
| C27 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| F26 | C25 | sing | 1.35Å | 1.32Å | |
| O01 | C02 | sing | 1.43Å | 1.42Å | |
| C19 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | C23 | doub | 1.39Å | 1.41Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C21 | sing | 1.39Å | 1.41Å | Aromatic |
| C23 | F24 | sing | 1.35Å | 1.31Å | |
| C21 | F22 | sing | 1.35Å | 1.32Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| O14 | H141 | sing | 0.97Å | 0.95Å | |
| O31 | H311 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | S06 | C05 | 102.9° | 103.0° |
| S06 | C07 | C08 | 120.8° | 120.1° |
| S06 | C07 | C12 | 118.4° | 120.0° |
| S06 | C05 | C13 | 114.3° | 109.5° |
| S06 | C05 | O04 | 109.2° | 109.5° |
| S06 | C05 | H051 | 104.0° | 109.5° |
| C08 | C07 | C12 | 120.7° | 119.9° |
| C07 | C08 | C09 | 118.4° | 119.9° |
| C07 | C08 | H081 | 120.8° | 120.1° |
| C07 | C12 | C11 | 121.2° | 119.9° |
| C07 | C12 | H121 | 119.4° | 120.1° |
| C08 | C09 | C10 | 120.0° | 120.1° |
| C09 | C08 | H081 | 120.8° | 120.0° |
| C08 | C09 | H091 | 120.0° | 119.9° |
| C12 | C11 | C10 | 119.4° | 120.1° |
| C12 | C11 | H111 | 120.3° | 120.0° |
| C11 | C12 | H121 | 119.4° | 120.1° |
| C09 | C10 | C11 | 120.2° | 120.2° |
| C10 | C09 | H091 | 120.0° | 120.0° |
| C09 | C10 | H101 | 119.9° | 119.9° |
| C11 | C10 | H101 | 119.9° | 119.9° |
| C10 | C11 | H111 | 120.3° | 119.9° |
| N28 | N29 | N16 | 108.0° | 110.5° |
| N29 | N28 | C18 | 109.9° | 108.8° |
| N29 | N16 | C15 | 120.2° | 125.7° |
| N29 | N16 | C17 | 107.8° | 108.5° |
| O14 | C13 | C15 | 107.6° | 109.5° |
| O14 | C13 | C05 | 109.0° | 109.5° |
| O14 | C13 | H131 | 111.7° | 109.5° |
| C13 | O14 | H141 | 109.5° | 114.0° |
| N28 | C18 | C17 | 107.3° | 106.2° |
| N28 | C18 | C19 | 123.3° | 126.9° |
| N16 | C15 | C13 | 110.2° | 109.5° |
| N16 | C15 | C30 | 110.1° | 109.5° |
| C15 | N16 | C17 | 131.9° | 125.8° |
| N16 | C15 | H151 | 109.8° | 109.6° |
| C13 | C15 | C30 | 110.2° | 109.0° |
| C15 | C13 | C05 | 107.9° | 109.2° |
| C15 | C13 | H131 | 110.2° | 109.5° |
| C13 | C15 | H151 | 108.6° | 109.5° |
| C15 | C30 | C03 | 108.7° | 109.2° |
| C15 | C30 | O31 | 107.4° | 109.5° |
| C30 | C15 | H151 | 107.9° | 109.7° |
| C15 | C30 | H301 | 109.2° | 109.5° |
| N16 | C17 | C18 | 107.0° | 106.1° |
| N16 | C17 | H171 | 126.5° | 127.0° |
| C13 | C05 | O04 | 113.1° | 109.4° |
| C13 | C05 | H051 | 107.4° | 109.5° |
| C05 | C13 | H131 | 110.4° | 109.5° |
| C05 | O04 | C03 | 115.4° | 114.1° |
| O04 | C05 | H051 | 108.2° | 109.4° |
| C30 | C03 | O04 | 112.2° | 109.5° |
| C30 | C03 | C02 | 111.9° | 109.5° |
| C03 | C30 | O31 | 110.0° | 109.5° |
| C30 | C03 | H031 | 107.9° | 109.5° |
| C03 | C30 | H301 | 110.6° | 109.5° |
| O04 | C03 | C02 | 108.4° | 109.4° |
| O04 | C03 | H031 | 108.7° | 109.5° |
| C03 | C02 | O01 | 110.6° | 109.5° |
| C03 | C02 | H022 | 109.2° | 109.4° |
| C03 | C02 | H021 | 109.2° | 109.4° |
| C02 | C03 | H031 | 107.6° | 109.4° |
| C17 | C18 | C19 | 129.4° | 126.9° |
| C18 | C17 | H171 | 126.5° | 127.0° |
| C18 | C19 | C27 | 118.1° | 120.1° |
| C18 | C19 | C20 | 121.1° | 120.1° |
| O31 | C30 | H301 | 111.0° | 109.5° |
| C30 | O31 | H311 | 109.5° | 114.0° |
| C19 | C27 | C25 | 119.6° | 119.9° |
| C27 | C19 | C20 | 120.7° | 119.8° |
| C19 | C27 | H271 | 120.2° | 120.0° |
| C27 | C25 | F26 | 123.1° | 119.9° |
| C27 | C25 | C23 | 120.3° | 120.1° |
| C25 | C27 | H271 | 120.2° | 120.0° |
| F26 | C25 | C23 | 116.6° | 120.0° |
| O01 | C02 | H022 | 109.2° | 109.5° |
| O01 | C02 | H021 | 109.2° | 109.5° |
| C02 | O01 | H011 | 109.5° | 114.1° |
| C19 | C20 | C21 | 120.4° | 119.9° |
| C19 | C20 | H201 | 119.8° | 120.0° |
| C25 | C23 | C21 | 118.2° | 120.2° |
| C25 | C23 | F24 | 120.6° | 119.9° |
| C20 | C21 | C23 | 120.8° | 120.1° |
| C20 | C21 | F22 | 121.9° | 120.0° |
| C21 | C20 | H201 | 119.8° | 120.1° |
| C21 | C23 | F24 | 121.1° | 119.9° |
| C23 | C21 | F22 | 117.3° | 120.0° |
| H022 | C02 | H021 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S06 | C07 | C08 | C12 | 176.6° | 179.7° |
| S06 | C07 | C08 | C09 | 179.6° | 179.7° |
| S06 | C07 | C12 | C11 | 179.9° | 179.7° |
| C07 | S06 | C05 | C13 | 178.1° | 170.0° |
| C07 | S06 | C05 | O04 | 54.0° | 70.0° |
| C07 | S06 | C05 | H051 | 61.3° | 49.9° |
| S06 | C07 | C08 | H081 | 0.4° | 0.4° |
| S06 | C07 | C12 | H121 | 0.1° | 0.3° |
| C05 | S06 | C07 | C08 | 89.2° | 180.0° |
| C05 | S06 | C07 | C12 | 87.5° | 0.3° |
| S06 | C05 | C13 | O14 | 44.4° | 57.6° |
| S06 | C05 | C13 | C15 | 72.2° | 177.6° |
| S06 | C05 | C13 | O04 | 125.8° | 120.0° |
| S06 | C05 | C13 | H051 | 114.9° | 120.1° |
| S06 | C05 | O04 | H051 | 112.6° | 120.0° |
| S06 | C05 | O04 | C03 | 73.9° | 178.9° |
| S06 | C05 | C13 | H131 | 167.4° | 62.5° |
| C07 | C08 | C09 | H081 | 180.0° | 179.9° |
| C08 | C07 | C12 | C11 | 3.2° | 0.0° |
| C07 | C08 | C09 | C10 | 1.2° | 0.0° |
| C07 | C08 | C09 | H091 | 178.8° | 180.0° |
| C08 | C07 | C12 | H121 | 176.8° | 180.0° |
| C12 | C07 | C08 | C09 | 3.0° | 0.0° |
| C07 | C12 | C11 | H121 | 180.0° | 180.0° |
| C07 | C12 | C11 | C10 | 1.6° | 0.1° |
| C12 | C07 | C08 | H081 | 177.0° | 179.9° |
| C07 | C12 | C11 | H111 | 178.4° | 180.0° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.4° | 0.0° |
| C08 | C09 | C10 | H101 | 179.6° | 180.0° |
| C12 | C11 | C10 | C09 | 0.2° | 0.1° |
| C12 | C11 | C10 | H111 | 180.0° | 179.9° |
| C12 | C11 | C10 | H101 | 179.8° | 179.9° |
| C09 | C10 | C11 | H101 | 180.0° | 180.0° |
| C10 | C09 | C08 | H081 | 178.8° | 179.9° |
| C09 | C10 | C11 | H111 | 179.8° | 180.0° |
| C11 | C10 | C09 | H091 | 179.6° | 180.0° |
| C10 | C11 | C12 | H121 | 178.4° | 180.0° |
| N28 | N29 | N16 | C15 | 179.2° | 179.8° |
| N28 | N29 | N16 | C17 | 2.8° | 0.2° |
| N29 | N28 | C18 | C17 | 0.9° | 0.2° |
| N29 | N28 | C18 | C19 | 177.2° | 179.9° |
| N16 | N29 | N28 | C18 | 2.3° | 0.0° |
| N29 | N16 | C15 | C17 | 175.4° | 180.0° |
| N29 | N16 | C15 | C13 | 126.0° | 147.1° |
| N29 | N16 | C15 | C30 | 112.2° | 27.5° |
| N29 | N16 | C17 | C18 | 2.2° | 0.3° |
| N29 | N16 | C15 | H151 | 6.5° | 92.8° |
| N29 | N16 | C17 | H171 | 177.7° | 180.0° |
| O14 | C13 | C15 | N16 | 65.4° | 177.2° |
| O14 | C13 | C15 | C05 | 117.4° | 119.9° |
| O14 | C13 | C15 | H131 | 122.0° | 120.2° |
| O14 | C13 | C15 | C30 | 172.9° | 63.0° |
| O14 | C13 | C05 | H131 | 123.0° | 120.1° |
| O14 | C13 | C05 | O04 | 170.2° | 62.4° |
| O14 | C13 | C05 | H051 | 70.5° | 177.7° |
| O14 | C13 | C15 | H151 | 54.9° | 57.0° |
| N28 | C18 | C17 | N16 | 0.9° | 0.3° |
| N28 | C18 | C17 | C19 | 177.9° | 180.0° |
| N28 | C18 | C19 | C27 | 19.3° | 179.7° |
| N28 | C18 | C19 | C20 | 158.3° | 0.0° |
| N28 | C18 | C17 | H171 | 179.1° | 180.0° |
| N16 | C15 | C13 | C30 | 121.7° | 119.8° |
| N16 | C15 | C13 | H151 | 120.3° | 120.2° |
| N16 | C15 | C30 | H151 | 119.8° | 120.3° |
| N16 | C15 | C13 | C05 | 177.2° | 62.9° |
| N16 | C15 | C30 | C03 | 179.0° | 62.8° |
| C15 | N16 | C17 | C18 | 178.1° | 179.7° |
| N16 | C15 | C30 | O31 | 60.1° | 57.1° |
| N16 | C15 | C13 | H131 | 56.6° | 57.0° |
| C15 | N16 | C17 | H171 | 1.9° | 0.0° |
| N16 | C15 | C30 | H301 | 60.3° | 177.2° |
| C13 | C15 | C30 | H151 | 118.4° | 119.9° |
| C13 | C15 | N16 | C17 | 58.5° | 33.0° |
| C15 | C13 | C05 | H131 | 120.4° | 119.9° |
| C15 | C13 | C05 | O04 | 53.6° | 57.5° |
| C13 | C15 | C30 | C03 | 57.3° | 56.9° |
| C13 | C15 | C30 | O31 | 61.7° | 176.9° |
| C15 | C13 | C05 | H051 | 173.0° | 62.3° |
| C13 | C15 | C30 | H301 | 177.9° | 63.0° |
| C15 | C13 | O14 | H141 | 180.0° | 179.7° |
| C30 | C15 | N16 | C17 | 63.2° | 152.5° |
| C30 | C15 | C13 | C05 | 55.5° | 56.9° |
| C15 | C30 | C03 | O31 | 117.3° | 120.0° |
| C15 | C30 | C03 | H301 | 119.8° | 119.9° |
| C15 | C30 | C03 | O04 | 55.3° | 57.6° |
| C15 | C30 | C03 | C02 | 177.4° | 62.4° |
| C15 | C30 | O31 | H301 | 119.2° | 120.1° |
| C15 | C30 | C03 | H031 | 64.5° | 177.6° |
| C30 | C15 | C13 | H131 | 65.1° | 176.9° |
| C15 | C30 | O31 | H311 | 180.0° | 179.7° |
| N16 | C17 | C18 | H171 | 180.0° | 179.7° |
| N16 | C17 | C18 | C19 | 178.8° | 179.8° |
| C17 | N16 | C15 | H151 | 178.1° | 87.2° |
| C13 | C05 | O04 | H051 | 118.9° | 119.9° |
| C13 | C05 | O04 | C03 | 54.6° | 61.1° |
| C05 | C13 | C15 | H151 | 62.5° | 176.9° |
| C05 | C13 | O14 | H141 | 63.3° | 60.0° |
| C05 | O04 | C03 | C30 | 55.5° | 61.1° |
| C05 | O04 | C03 | C02 | 179.6° | 58.9° |
| C05 | O04 | C03 | H031 | 63.8° | 178.9° |
| O04 | C05 | C13 | H131 | 66.8° | 177.5° |
| C30 | C03 | O04 | C02 | 124.0° | 120.0° |
| C30 | C03 | O04 | H031 | 119.3° | 120.1° |
| C30 | C03 | C02 | H031 | 118.4° | 120.0° |
| C03 | C30 | O31 | H301 | 122.7° | 120.1° |
| C30 | C03 | C02 | O01 | 173.6° | 173.0° |
| C30 | C03 | C02 | H022 | 53.4° | 53.0° |
| C30 | C03 | C02 | H021 | 66.3° | 67.0° |
| C03 | C30 | C15 | H151 | 61.2° | 176.9° |
| C03 | C30 | O31 | H311 | 61.9° | 59.9° |
| O04 | C03 | C02 | H031 | 117.4° | 120.0° |
| O04 | C03 | C30 | O31 | 62.0° | 177.5° |
| O04 | C03 | C02 | O01 | 62.2° | 67.0° |
| O04 | C03 | C02 | H022 | 177.6° | 173.0° |
| O04 | C03 | C02 | H021 | 57.9° | 53.0° |
| C03 | O04 | C05 | H051 | 173.5° | 58.9° |
| O04 | C03 | C30 | H301 | 175.1° | 62.3° |
| C02 | C03 | C30 | O31 | 60.1° | 57.6° |
| C03 | C02 | O01 | H022 | 120.2° | 120.0° |
| C03 | C02 | O01 | H021 | 120.2° | 120.0° |
| C03 | C02 | H022 | H021 | 119.5° | 120.0° |
| C02 | C03 | C30 | H301 | 62.8° | 177.7° |
| C03 | C02 | O01 | H011 | 180.0° | 180.0° |
| C17 | C18 | C19 | C27 | 163.1° | 0.2° |
| C17 | C18 | C19 | C20 | 19.3° | 180.0° |
| C18 | C19 | C27 | C20 | 177.6° | 179.7° |
| C18 | C19 | C27 | C25 | 179.5° | 179.7° |
| C18 | C19 | C20 | C21 | 179.8° | 180.0° |
| C19 | C18 | C17 | H171 | 1.2° | 0.0° |
| C18 | C19 | C20 | H201 | 0.1° | 0.0° |
| C18 | C19 | C27 | H271 | 0.5° | 0.0° |
| O31 | C30 | C03 | H031 | 178.3° | 62.4° |
| O31 | C30 | C15 | H151 | 179.9° | 63.2° |
| C19 | C27 | C25 | H271 | 180.0° | 179.7° |
| C19 | C27 | C25 | F26 | 179.5° | 179.7° |
| C19 | C27 | C25 | C23 | 1.8° | 0.6° |
| C27 | C19 | C20 | C21 | 2.6° | 0.3° |
| C27 | C19 | C20 | H201 | 177.4° | 179.7° |
| C27 | C25 | F26 | C23 | 177.7° | 179.8° |
| C25 | C27 | C19 | C20 | 2.9° | 0.6° |
| C27 | C25 | C23 | C21 | 0.5° | 0.3° |
| C27 | C25 | C23 | F24 | 179.7° | 179.7° |
| F26 | C25 | C23 | C21 | 178.3° | 179.9° |
| F26 | C25 | C23 | F24 | 1.9° | 0.0° |
| F26 | C25 | C27 | H271 | 0.5° | 0.1° |
| O01 | C02 | H022 | H021 | 119.5° | 120.0° |
| O01 | C02 | C03 | H031 | 55.2° | 53.0° |
| C19 | C20 | C21 | H201 | 180.0° | 179.9° |
| C19 | C20 | C21 | C23 | 1.2° | 0.1° |
| C19 | C20 | C21 | F22 | 178.3° | 180.0° |
| C20 | C19 | C27 | H271 | 177.1° | 179.7° |
| C25 | C23 | C21 | C20 | 0.2° | 0.1° |
| C25 | C23 | C21 | F24 | 179.8° | 180.0° |
| C25 | C23 | C21 | F22 | 179.4° | 180.0° |
| C23 | C25 | C27 | H271 | 178.2° | 179.7° |
| C20 | C21 | C23 | F22 | 179.5° | 180.0° |
| C20 | C21 | C23 | F24 | 180.0° | 180.0° |
| C23 | C21 | C20 | H201 | 178.8° | 180.0° |
| F24 | C23 | C21 | F22 | 0.4° | 0.0° |
| F22 | C21 | C20 | H201 | 1.7° | 0.0° |
| H022 | C02 | C03 | H031 | 65.0° | 67.0° |
| H022 | C02 | O01 | H011 | 59.8° | 60.0° |
| H021 | C02 | C03 | H031 | 175.3° | 173.0° |
| H021 | C02 | O01 | H011 | 59.8° | 60.0° |
| H031 | C03 | C30 | H301 | 55.3° | 57.7° |
| H051 | C05 | C13 | H131 | 52.5° | 57.6° |
| H081 | C08 | C09 | H091 | 1.2° | 0.1° |
| H091 | C09 | C10 | H101 | 0.4° | 0.0° |
| H101 | C10 | C11 | H111 | 0.2° | 0.0° |
| H111 | C11 | C12 | H121 | 1.6° | 0.1° |
| H131 | C13 | C15 | H151 | 176.9° | 63.1° |
| H131 | C13 | O14 | H141 | 59.0° | 60.1° |
| H151 | C15 | C30 | H301 | 59.5° | 56.9° |
| H301 | C30 | O31 | H311 | 60.7° | 60.2° |
