K0Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAZ | CAU | sing | 1.36Å | 1.35Å | |
| C10 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.37Å | 1.43Å | Aromatic |
| CAU | CAO | doub | 1.37Å | 1.42Å | |
| CAU | CAT | sing | 1.41Å | 1.42Å | |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| CAO | CAR | sing | 1.40Å | 1.41Å | |
| C9 | C2 | doub | 1.40Å | 1.34Å | Aromatic |
| OAY | CAT | doub | 1.22Å | 1.25Å | |
| CAT | N | sing | 1.35Å | 1.38Å | |
| C12 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| CAR | CAS | doub | 1.35Å | 1.40Å | |
| C2 | C3 | sing | 1.41Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.46Å | 1.37Å | Aromatic |
| C3 | N6 | sing | 1.38Å | 1.33Å | Aromatic |
| N | CAS | sing | 1.36Å | 1.47Å | |
| N | CA | sing | 1.46Å | 1.44Å | |
| C1 | CAM | sing | 1.51Å | 1.59Å | |
| C1 | C5 | doub | 1.34Å | 1.32Å | Aromatic |
| CAM | CAN | sing | 1.53Å | 1.51Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| N6 | C5 | sing | 1.37Å | 1.35Å | Aromatic |
| C | CA | sing | 1.51Å | 1.61Å | |
| C | NAV | sing | 1.35Å | 1.34Å | |
| NAV | CAN | sing | 1.46Å | 1.47Å | |
| CA | H1 | sing | 1.09Å | 1.10Å | |
| CA | H2 | sing | 1.09Å | 1.10Å | |
| OAZ | H3 | sing | 0.97Å | 0.95Å | |
| CAO | H4 | sing | 1.08Å | 1.08Å | |
| CAR | H5 | sing | 1.08Å | 1.08Å | |
| CAS | H6 | sing | 1.08Å | 1.08Å | |
| NAV | H7 | sing | 0.97Å | 1.00Å | |
| CAN | H8 | sing | 1.09Å | 1.10Å | |
| CAN | H9 | sing | 1.09Å | 1.10Å | |
| CAM | H10 | sing | 1.09Å | 1.10Å | |
| CAM | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| N6 | H16 | sing | 0.97Å | 1.00Å | |
| C5 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAZ | CAU | CAO | 120.4° | 120.4° |
| OAZ | CAU | CAT | 116.0° | 120.4° |
| CAU | OAZ | H3 | 109.5° | 114.0° |
| C11 | C10 | C9 | 123.4° | 120.6° |
| C10 | C11 | C12 | 113.6° | 120.7° |
| C11 | C10 | H13 | 118.3° | 119.7° |
| C10 | C11 | H14 | 123.2° | 119.7° |
| C10 | C9 | C2 | 121.1° | 119.7° |
| C10 | C9 | H12 | 119.4° | 120.2° |
| C9 | C10 | H13 | 118.3° | 119.7° |
| CAO | CAU | CAT | 123.5° | 119.3° |
| CAU | CAO | CAR | 119.9° | 119.2° |
| CAU | CAO | H4 | 120.1° | 120.4° |
| CAU | CAT | OAY | 120.5° | 120.1° |
| CAU | CAT | N | 116.6° | 120.0° |
| C11 | C12 | C3 | 120.9° | 119.7° |
| C12 | C11 | H14 | 123.2° | 119.6° |
| C11 | C12 | H15 | 119.6° | 120.1° |
| CAO | CAR | CAS | 118.0° | 120.0° |
| CAR | CAO | H4 | 120.0° | 120.4° |
| CAO | CAR | H5 | 121.0° | 120.0° |
| C9 | C2 | C3 | 115.8° | 119.9° |
| C9 | C2 | C1 | 135.0° | 134.0° |
| C2 | C9 | H12 | 119.4° | 120.1° |
| OAY | CAT | N | 122.8° | 120.0° |
| CAT | N | CAS | 120.9° | 120.8° |
| CAT | N | CA | 124.0° | 119.6° |
| C12 | C3 | C2 | 125.2° | 119.4° |
| C12 | C3 | N6 | 129.5° | 133.5° |
| C3 | C12 | H15 | 119.5° | 120.1° |
| CAR | CAS | N | 121.1° | 120.8° |
| CAS | CAR | H5 | 121.0° | 120.0° |
| CAR | CAS | H6 | 119.5° | 119.6° |
| C3 | C2 | C1 | 109.2° | 106.1° |
| C2 | C3 | N6 | 105.4° | 107.2° |
| C2 | C1 | CAM | 129.2° | 126.5° |
| C2 | C1 | C5 | 106.2° | 107.0° |
| C3 | N6 | C5 | 109.9° | 109.8° |
| C3 | N6 | H16 | 125.1° | 125.1° |
| CAS | N | CA | 115.1° | 119.6° |
| N | CAS | H6 | 119.5° | 119.6° |
| N | CA | C | 116.4° | 109.5° |
| N | CA | H1 | 107.7° | 109.5° |
| N | CA | H2 | 107.7° | 109.5° |
| CAM | C1 | C5 | 124.4° | 126.5° |
| C1 | CAM | CAN | 113.0° | 109.5° |
| C1 | CAM | H10 | 108.6° | 109.4° |
| C1 | CAM | H11 | 108.6° | 109.4° |
| C1 | C5 | N6 | 109.3° | 109.9° |
| C1 | C5 | H17 | 125.4° | 125.1° |
| CAM | CAN | NAV | 108.5° | 109.5° |
| CAM | CAN | H8 | 109.7° | 109.5° |
| CAM | CAN | H9 | 109.7° | 109.5° |
| CAN | CAM | H10 | 108.6° | 109.5° |
| CAN | CAM | H11 | 108.6° | 109.5° |
| O | C | CA | 127.6° | 120.0° |
| O | C | NAV | 117.4° | 120.0° |
| C5 | N6 | H16 | 125.1° | 125.1° |
| N6 | C5 | H17 | 125.3° | 125.0° |
| CA | C | NAV | 112.1° | 120.0° |
| C | CA | H1 | 107.7° | 109.5° |
| C | CA | H2 | 107.7° | 109.4° |
| C | NAV | CAN | 125.2° | 120.0° |
| C | NAV | H7 | 117.4° | 120.0° |
| CAN | NAV | H7 | 117.4° | 120.0° |
| NAV | CAN | H8 | 109.7° | 109.5° |
| NAV | CAN | H9 | 109.7° | 109.5° |
| H1 | CA | H2 | 109.5° | 109.5° |
| H8 | CAN | H9 | 109.5° | 109.4° |
| H10 | CAM | H11 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAZ | CAU | CAO | CAT | 177.5° | 179.9° |
| OAZ | CAU | CAO | CAR | 179.2° | 180.0° |
| OAZ | CAU | CAT | OAY | 3.4° | 0.1° |
| OAZ | CAU | CAT | N | 179.7° | 180.0° |
| OAZ | CAU | CAO | H4 | 0.8° | 0.1° |
| C11 | C10 | C9 | H13 | 180.0° | 179.9° |
| C10 | C11 | C12 | H14 | 180.0° | 180.0° |
| C11 | C10 | C9 | C2 | 0.9° | 0.0° |
| C10 | C11 | C12 | C3 | 0.6° | 0.0° |
| C11 | C10 | C9 | H12 | 179.1° | 180.0° |
| C10 | C11 | C12 | H15 | 179.4° | 180.0° |
| C9 | C10 | C11 | C12 | 1.0° | 0.0° |
| C10 | C9 | C2 | H12 | 180.0° | 180.0° |
| C10 | C9 | C2 | C3 | 0.2° | 0.0° |
| C10 | C9 | C2 | C1 | 176.9° | 180.0° |
| C9 | C10 | C11 | H14 | 179.0° | 180.0° |
| CAU | CAO | CAR | H4 | 180.0° | 179.9° |
| CAO | CAU | CAT | OAY | 174.2° | 180.0° |
| CAO | CAU | CAT | N | 2.8° | 0.1° |
| CAU | CAO | CAR | CAS | 1.0° | 0.0° |
| CAO | CAU | OAZ | H3 | 176.1° | 0.0° |
| CAU | CAO | CAR | H5 | 179.0° | 180.0° |
| CAT | CAU | CAO | CAR | 1.7° | 0.1° |
| CAU | CAT | OAY | N | 176.8° | 179.9° |
| CAU | CAT | N | CAS | 3.1° | 0.0° |
| CAU | CAT | N | CA | 179.9° | 179.8° |
| CAT | CAU | OAZ | H3 | 1.5° | 179.9° |
| CAT | CAU | CAO | H4 | 178.3° | 180.0° |
| C11 | C12 | C3 | H15 | 180.0° | 179.9° |
| C11 | C12 | C3 | C2 | 0.0° | 0.0° |
| C11 | C12 | C3 | N6 | 179.2° | 180.0° |
| C12 | C11 | C10 | H13 | 179.0° | 180.0° |
| CAO | CAR | CAS | H5 | 180.0° | 180.0° |
| CAO | CAR | CAS | N | 1.4° | 0.0° |
| CAO | CAR | CAS | H6 | 178.6° | 179.8° |
| C9 | C2 | C3 | C12 | 0.2° | 0.0° |
| C9 | C2 | C3 | C1 | 177.5° | 180.0° |
| C9 | C2 | C3 | N6 | 179.1° | 180.0° |
| C9 | C2 | C1 | CAM | 5.5° | 0.1° |
| C9 | C2 | C1 | C5 | 179.3° | 179.8° |
| C2 | C9 | C10 | H13 | 179.1° | 180.0° |
| OAY | CAT | N | CAS | 173.8° | 180.0° |
| OAY | CAT | N | CA | 3.0° | 0.3° |
| CAT | N | CAS | CAR | 2.6° | 0.0° |
| CAT | N | CAS | CA | 177.1° | 179.7° |
| CAT | N | CA | C | 58.6° | 89.7° |
| CAT | N | CA | H1 | 62.5° | 30.3° |
| CAT | N | CA | H2 | 179.6° | 150.3° |
| CAT | N | CAS | H6 | 177.4° | 179.8° |
| C12 | C3 | C2 | N6 | 179.3° | 179.9° |
| C12 | C3 | C2 | C1 | 177.3° | 180.0° |
| C12 | C3 | N6 | C5 | 177.7° | 179.8° |
| C3 | C12 | C11 | H14 | 179.4° | 180.0° |
| C12 | C3 | N6 | H16 | 2.3° | 0.1° |
| CAR | CAS | N | H6 | 180.0° | 179.8° |
| CAR | CAS | N | CA | 179.6° | 179.7° |
| CAS | CAR | CAO | H4 | 179.0° | 180.0° |
| C3 | C2 | C1 | CAM | 177.6° | 180.0° |
| C3 | C2 | C1 | C5 | 2.4° | 0.3° |
| C2 | C3 | N6 | C5 | 3.0° | 0.2° |
| C3 | C2 | C9 | H12 | 179.7° | 180.0° |
| C2 | C3 | C12 | H15 | 180.0° | 180.0° |
| C2 | C3 | N6 | H16 | 177.0° | 179.9° |
| C1 | C2 | C3 | N6 | 3.4° | 0.1° |
| C2 | C1 | CAM | C5 | 174.4° | 179.6° |
| C2 | C1 | CAM | CAN | 163.4° | 85.3° |
| C2 | C1 | C5 | N6 | 0.5° | 0.4° |
| C2 | C1 | CAM | H10 | 76.1° | 34.7° |
| C2 | C1 | CAM | H11 | 42.8° | 154.7° |
| C1 | C2 | C9 | H12 | 3.1° | 0.0° |
| C2 | C1 | C5 | H17 | 179.5° | 179.8° |
| C3 | N6 | C5 | C1 | 1.6° | 0.4° |
| C3 | N6 | C5 | H16 | 180.0° | 179.9° |
| N6 | C3 | C12 | H15 | 0.8° | 0.1° |
| C3 | N6 | C5 | H17 | 178.4° | 179.8° |
| CAS | N | CA | C | 124.5° | 90.0° |
| CAS | N | CA | H1 | 114.5° | 150.0° |
| CAS | N | CA | H2 | 3.5° | 29.9° |
| N | CAS | CAR | H5 | 178.6° | 180.0° |
| N | CA | C | O | 65.1° | 0.0° |
| N | CA | C | H1 | 121.0° | 120.0° |
| N | CA | C | H2 | 121.0° | 120.0° |
| N | CA | C | NAV | 134.7° | 180.0° |
| N | CA | H1 | H2 | 116.8° | 120.0° |
| CA | N | CAS | H6 | 0.4° | 0.0° |
| C1 | CAM | CAN | H10 | 120.5° | 120.0° |
| C1 | CAM | CAN | H11 | 120.6° | 120.0° |
| CAM | C1 | C5 | N6 | 176.0° | 179.9° |
| C1 | CAM | CAN | NAV | 72.8° | 180.0° |
| C1 | CAM | CAN | H8 | 167.4° | 60.0° |
| C1 | CAM | CAN | H9 | 47.0° | 59.9° |
| C1 | CAM | H10 | H11 | 118.4° | 120.0° |
| CAM | C1 | C5 | H17 | 4.0° | 0.1° |
| C5 | C1 | CAM | CAN | 11.0° | 95.1° |
| C1 | C5 | N6 | H17 | 180.0° | 179.8° |
| C5 | C1 | CAM | H10 | 109.5° | 144.9° |
| C5 | C1 | CAM | H11 | 131.6° | 24.9° |
| C1 | C5 | N6 | H16 | 178.4° | 179.7° |
| CAM | CAN | NAV | C | 91.0° | 180.0° |
| CAM | CAN | NAV | H8 | 119.8° | 120.0° |
| CAM | CAN | NAV | H9 | 119.9° | 120.0° |
| CAM | CAN | NAV | H7 | 89.0° | 0.0° |
| CAM | CAN | H8 | H9 | 120.5° | 120.0° |
| CAN | CAM | H10 | H11 | 118.4° | 120.0° |
| O | C | CA | NAV | 160.1° | 180.0° |
| O | C | NAV | CAN | 14.2° | 0.0° |
| O | C | CA | H1 | 173.9° | 120.0° |
| O | C | CA | H2 | 55.8° | 120.0° |
| O | C | NAV | H7 | 165.8° | 180.0° |
| CA | C | NAV | CAN | 176.6° | 180.0° |
| C | CA | H1 | H2 | 116.9° | 119.9° |
| CA | C | NAV | H7 | 3.5° | 0.1° |
| C | NAV | CAN | H7 | 180.0° | 180.0° |
| NAV | C | CA | H1 | 13.7° | 59.9° |
| NAV | C | CA | H2 | 104.3° | 60.0° |
| C | NAV | CAN | H8 | 28.9° | 60.0° |
| C | NAV | CAN | H9 | 149.1° | 60.0° |
| NAV | CAN | H8 | H9 | 120.4° | 120.0° |
| NAV | CAN | CAM | H10 | 47.7° | 60.0° |
| NAV | CAN | CAM | H11 | 166.6° | 60.0° |
| H4 | CAO | CAR | H5 | 1.0° | 0.0° |
| H5 | CAR | CAS | H6 | 1.4° | 0.2° |
| H7 | NAV | CAN | H8 | 151.2° | 120.0° |
| H7 | NAV | CAN | H9 | 30.9° | 120.0° |
| H8 | CAN | CAM | H10 | 72.1° | 179.9° |
| H8 | CAN | CAM | H11 | 46.8° | 60.0° |
| H9 | CAN | CAM | H10 | 167.6° | 60.0° |
| H9 | CAN | CAM | H11 | 73.5° | 179.9° |
| H12 | C9 | C10 | H13 | 0.9° | 0.0° |
| H13 | C10 | C11 | H14 | 1.0° | 0.0° |
| H14 | C11 | C12 | H15 | 0.6° | 0.0° |
| H16 | N6 | C5 | H17 | 1.6° | 0.1° |
