RKV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | O05 | sing | 1.34Å | 1.31Å | Aromatic |
| C01 | C02 | doub | 1.35Å | 1.39Å | Aromatic |
| O05 | C04 | sing | 1.35Å | 1.31Å | Aromatic |
| C04 | C06 | sing | 1.48Å | 1.53Å | |
| C04 | C03 | doub | 1.36Å | 1.40Å | Aromatic |
| C02 | C03 | sing | 1.41Å | 1.43Å | Aromatic |
| N07 | C06 | doub | 1.32Å | 1.31Å | Aromatic |
| N07 | N08 | sing | 1.28Å | 1.33Å | Aromatic |
| C06 | C10 | sing | 1.41Å | 1.41Å | Aromatic |
| C14 | N08 | sing | 1.46Å | 1.45Å | |
| N08 | C09 | sing | 1.37Å | 1.31Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.41Å | Aromatic |
| C09 | C11 | sing | 1.47Å | 1.53Å | |
| O12 | C11 | doub | 1.22Å | 1.27Å | |
| C11 | O13 | sing | 1.35Å | 1.26Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.08Å | 1.08Å | |
| C02 | H3 | sing | 1.08Å | 1.08Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| O13 | H5 | sing | 0.97Å | 0.95Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O05 | C01 | C02 | 109.1° | 108.7° |
| C01 | O05 | C04 | 111.8° | 109.4° |
| O05 | C01 | H2 | 125.4° | 125.7° |
| C01 | C02 | C03 | 105.1° | 107.0° |
| C02 | C01 | H2 | 125.5° | 125.6° |
| C01 | C02 | H3 | 127.5° | 126.5° |
| O05 | C04 | C06 | 125.5° | 125.9° |
| O05 | C04 | C03 | 108.8° | 108.2° |
| C06 | C04 | C03 | 125.6° | 125.9° |
| C04 | C06 | N07 | 127.0° | 126.2° |
| C04 | C06 | C10 | 126.8° | 126.3° |
| C04 | C03 | C02 | 105.2° | 106.7° |
| C04 | C03 | H4 | 127.4° | 126.7° |
| C03 | C02 | H3 | 127.5° | 126.5° |
| C02 | C03 | H4 | 127.4° | 126.6° |
| C06 | N07 | N08 | 110.7° | 110.8° |
| N07 | C06 | C10 | 106.2° | 107.5° |
| N07 | N08 | C14 | 124.8° | 125.0° |
| N07 | N08 | C09 | 110.7° | 109.9° |
| C06 | C10 | C09 | 106.0° | 105.3° |
| C06 | C10 | H1 | 127.0° | 127.4° |
| C14 | N08 | C09 | 124.5° | 125.0° |
| N08 | C14 | H6 | 109.5° | 109.5° |
| N08 | C14 | H7 | 109.5° | 109.4° |
| N08 | C14 | H8 | 109.5° | 109.5° |
| N08 | C09 | C10 | 106.4° | 106.5° |
| N08 | C09 | C11 | 126.3° | 126.7° |
| C10 | C09 | C11 | 127.3° | 126.8° |
| C09 | C10 | H1 | 127.0° | 127.3° |
| C09 | C11 | O12 | 120.4° | 119.9° |
| C09 | C11 | O13 | 118.4° | 120.0° |
| O12 | C11 | O13 | 121.2° | 120.1° |
| C11 | O13 | H5 | 109.5° | 116.9° |
| H6 | C14 | H7 | 109.5° | 109.5° |
| H6 | C14 | H8 | 109.5° | 109.5° |
| H7 | C14 | H8 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O05 | C01 | C02 | H2 | 180.0° | 179.7° |
| C01 | O05 | C04 | C06 | 179.9° | 180.0° |
| C01 | O05 | C04 | C03 | 0.3° | 0.0° |
| O05 | C01 | C02 | C03 | 0.1° | 0.0° |
| O05 | C01 | C02 | H3 | 179.9° | 180.0° |
| C02 | C01 | O05 | C04 | 0.1° | 0.0° |
| C01 | C02 | C03 | C04 | 0.3° | 0.0° |
| C01 | C02 | C03 | H3 | 180.0° | 179.9° |
| C01 | C02 | C03 | H4 | 179.7° | 180.0° |
| O05 | C04 | C06 | C03 | 179.6° | 179.9° |
| O05 | C04 | C03 | C02 | 0.4° | 0.0° |
| O05 | C04 | C06 | N07 | 19.0° | 180.0° |
| O05 | C04 | C06 | C10 | 160.5° | 0.1° |
| C04 | O05 | C01 | H2 | 179.9° | 179.7° |
| O05 | C04 | C03 | H4 | 179.7° | 180.0° |
| C06 | C04 | C03 | C02 | 180.0° | 180.0° |
| C04 | C06 | N07 | C10 | 179.6° | 179.9° |
| C04 | C06 | N07 | N08 | 179.6° | 180.0° |
| C04 | C06 | C10 | C09 | 179.6° | 180.0° |
| C04 | C06 | C10 | H1 | 0.4° | 0.2° |
| C06 | C04 | C03 | H4 | 0.0° | 0.1° |
| C04 | C03 | C02 | H4 | 180.0° | 180.0° |
| C03 | C04 | C06 | N07 | 161.4° | 0.1° |
| C03 | C04 | C06 | C10 | 19.1° | 180.0° |
| C04 | C03 | C02 | H3 | 179.7° | 180.0° |
| C03 | C02 | C01 | H2 | 179.9° | 179.8° |
| C06 | N07 | N08 | C14 | 179.9° | 180.0° |
| C06 | N07 | N08 | C09 | 0.1° | 0.1° |
| N07 | C06 | C10 | C09 | 0.0° | 0.0° |
| N07 | C06 | C10 | H1 | 180.0° | 179.7° |
| N08 | N07 | C06 | C10 | 0.0° | 0.1° |
| N07 | N08 | C14 | C09 | 180.0° | 179.9° |
| N07 | N08 | C09 | C10 | 0.1° | 0.0° |
| N07 | N08 | C09 | C11 | 179.7° | 179.7° |
| N07 | N08 | C14 | H6 | 0.0° | 90.0° |
| N07 | N08 | C14 | H7 | 120.0° | 150.0° |
| N07 | N08 | C14 | H8 | 120.0° | 30.1° |
| C06 | C10 | C09 | N08 | 0.1° | 0.0° |
| C06 | C10 | C09 | H1 | 180.0° | 179.8° |
| C06 | C10 | C09 | C11 | 179.7° | 179.8° |
| C14 | N08 | C09 | C10 | 179.9° | 180.0° |
| C14 | N08 | C09 | C11 | 0.3° | 0.2° |
| N08 | C14 | H6 | H7 | 120.0° | 120.0° |
| N08 | C14 | H6 | H8 | 120.0° | 120.0° |
| N08 | C14 | H7 | H8 | 120.0° | 119.9° |
| N08 | C09 | C10 | C11 | 179.6° | 179.8° |
| N08 | C09 | C11 | O12 | 141.8° | 179.7° |
| N08 | C09 | C11 | O13 | 38.5° | 0.2° |
| N08 | C09 | C10 | H1 | 180.0° | 179.8° |
| C09 | N08 | C14 | H6 | 180.0° | 90.0° |
| C09 | N08 | C14 | H7 | 60.0° | 30.1° |
| C09 | N08 | C14 | H8 | 60.0° | 150.0° |
| C10 | C09 | C11 | O12 | 38.7° | 0.0° |
| C10 | C09 | C11 | O13 | 141.1° | 179.9° |
| C09 | C11 | O12 | O13 | 179.7° | 179.9° |
| C11 | C09 | C10 | H1 | 0.3° | 0.0° |
| C09 | C11 | O13 | H5 | 179.8° | 180.0° |
| O12 | C11 | O13 | H5 | 0.0° | 0.1° |
| H2 | C01 | C02 | H3 | 0.1° | 0.3° |
| H3 | C02 | C03 | H4 | 0.3° | 0.1° |
| H6 | C14 | H7 | H8 | 120.0° | 120.0° |
