RH6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | sing | 1.51Å | 1.47Å | |
| C15 | C14 | doub | 1.33Å | 1.35Å | |
| C14 | C13 | sing | 1.47Å | 1.51Å | |
| C19 | C13 | doub | 1.39Å | 1.35Å | |
| C19 | C20 | sing | 1.42Å | 1.46Å | |
| C13 | C11 | sing | 1.47Å | 1.51Å | |
| O12 | C11 | doub | 1.22Å | 1.20Å | |
| C20 | C21 | doub | 1.40Å | 1.40Å | Aromatic |
| C20 | C09 | sing | 1.41Å | 1.39Å | Aromatic |
| C21 | C01 | sing | 1.36Å | 1.40Å | Aromatic |
| C11 | O10 | sing | 1.35Å | 1.21Å | |
| O10 | C09 | sing | 1.35Å | 1.36Å | |
| C09 | C08 | doub | 1.38Å | 1.40Å | Aromatic |
| C01 | C02 | doub | 1.40Å | 1.42Å | Aromatic |
| C08 | C02 | sing | 1.39Å | 1.41Å | Aromatic |
| C02 | N03 | sing | 1.39Å | 1.45Å | |
| N03 | C04 | sing | 1.46Å | 1.46Å | |
| N03 | C06 | sing | 1.46Å | 1.47Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.08Å | 1.08Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | C14 | 120.2° | 120.0° |
| C16 | C15 | H1 | 119.9° | 120.0° |
| C15 | C16 | H16 | 109.5° | 109.5° |
| C15 | C16 | H17 | 109.5° | 109.5° |
| C15 | C16 | H18 | 109.4° | 109.4° |
| C15 | C14 | C13 | 126.7° | 120.0° |
| C14 | C15 | H1 | 119.9° | 120.0° |
| C15 | C14 | H15 | 116.6° | 120.0° |
| C14 | C13 | C19 | 114.6° | 121.3° |
| C14 | C13 | C11 | 126.6° | 121.4° |
| C13 | C14 | H15 | 116.7° | 120.0° |
| C13 | C19 | C20 | 119.3° | 118.0° |
| C19 | C13 | C11 | 118.8° | 117.3° |
| C13 | C19 | H19 | 120.4° | 121.0° |
| C19 | C20 | C21 | 123.2° | 120.5° |
| C19 | C20 | C09 | 116.6° | 119.7° |
| C20 | C19 | H19 | 120.4° | 121.0° |
| C13 | C11 | O12 | 108.6° | 121.1° |
| C13 | C11 | O10 | 118.4° | 117.9° |
| O12 | C11 | O10 | 132.9° | 121.0° |
| C21 | C20 | C09 | 120.3° | 119.8° |
| C20 | C21 | C01 | 120.0° | 119.9° |
| C20 | C21 | H2 | 120.0° | 120.0° |
| C20 | C09 | O10 | 121.0° | 120.3° |
| C20 | C09 | C08 | 119.7° | 119.5° |
| C21 | C01 | C02 | 121.3° | 120.4° |
| C01 | C21 | H2 | 120.0° | 120.1° |
| C21 | C01 | H3 | 119.3° | 119.7° |
| C11 | O10 | C09 | 126.0° | 116.3° |
| O10 | C09 | C08 | 119.3° | 120.2° |
| C09 | C08 | C02 | 121.9° | 119.9° |
| C09 | C08 | H14 | 119.1° | 120.0° |
| C01 | C02 | C08 | 116.8° | 120.5° |
| C01 | C02 | N03 | 120.0° | 119.7° |
| C02 | C01 | H3 | 119.4° | 119.8° |
| C08 | C02 | N03 | 123.2° | 119.8° |
| C02 | C08 | H14 | 119.0° | 120.1° |
| C02 | N03 | C04 | 117.4° | 120.0° |
| C02 | N03 | C06 | 126.2° | 120.0° |
| C04 | N03 | C06 | 116.4° | 120.0° |
| N03 | C04 | C05 | 110.5° | 109.5° |
| N03 | C04 | H4 | 109.2° | 109.4° |
| N03 | C04 | H5 | 109.2° | 109.4° |
| N03 | C06 | C07 | 119.0° | 109.5° |
| N03 | C06 | H9 | 107.0° | 109.5° |
| N03 | C06 | H10 | 107.0° | 109.5° |
| C05 | C04 | H4 | 109.2° | 109.5° |
| C05 | C04 | H5 | 109.2° | 109.5° |
| C04 | C05 | H6 | 109.5° | 109.5° |
| C04 | C05 | H7 | 109.4° | 109.5° |
| C04 | C05 | H8 | 109.5° | 109.5° |
| C07 | C06 | H9 | 107.0° | 109.4° |
| C07 | C06 | H10 | 107.1° | 109.5° |
| C06 | C07 | H11 | 109.5° | 109.5° |
| C06 | C07 | H12 | 109.5° | 109.5° |
| C06 | C07 | H13 | 109.5° | 109.4° |
| H4 | C04 | H5 | 109.5° | 109.5° |
| H6 | C05 | H7 | 109.5° | 109.5° |
| H6 | C05 | H8 | 109.4° | 109.5° |
| H7 | C05 | H8 | 109.5° | 109.4° |
| H9 | C06 | H10 | 109.5° | 109.5° |
| H11 | C07 | H12 | 109.4° | 109.5° |
| H11 | C07 | H13 | 109.5° | 109.5° |
| H12 | C07 | H13 | 109.4° | 109.5° |
| H16 | C16 | H17 | 109.4° | 109.5° |
| H16 | C16 | H18 | 109.5° | 109.5° |
| H17 | C16 | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C14 | H1 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 179.8° | 180.0° |
| C16 | C15 | C14 | H15 | 0.2° | 0.1° |
| C15 | C16 | H16 | H17 | 120.0° | 120.1° |
| C15 | C16 | H16 | H18 | 120.0° | 120.0° |
| C15 | C16 | H17 | H18 | 120.0° | 120.0° |
| C15 | C14 | C13 | H15 | 180.0° | 179.9° |
| C15 | C14 | C13 | C19 | 136.8° | 179.7° |
| C15 | C14 | C13 | C11 | 42.9° | 0.1° |
| C14 | C15 | C16 | H16 | 180.0° | 180.0° |
| C14 | C15 | C16 | H17 | 60.0° | 59.9° |
| C14 | C15 | C16 | H18 | 60.0° | 60.0° |
| C14 | C13 | C19 | C11 | 179.7° | 179.7° |
| C14 | C13 | C19 | C20 | 179.6° | 178.9° |
| C14 | C13 | C11 | O12 | 0.3° | 26.2° |
| C14 | C13 | C11 | O10 | 180.0° | 153.8° |
| C13 | C14 | C15 | H1 | 0.3° | 0.1° |
| C14 | C13 | C19 | H19 | 0.5° | 1.1° |
| C13 | C19 | C20 | H19 | 180.0° | 180.0° |
| C19 | C13 | C11 | O12 | 180.0° | 153.5° |
| C13 | C19 | C20 | C21 | 179.8° | 170.8° |
| C13 | C19 | C20 | C09 | 0.3° | 10.1° |
| C19 | C13 | C11 | O10 | 0.3° | 26.5° |
| C19 | C13 | C14 | H15 | 43.2° | 0.3° |
| C20 | C19 | C13 | C11 | 0.1° | 1.4° |
| C19 | C20 | C21 | C09 | 179.9° | 179.1° |
| C19 | C20 | C21 | C01 | 179.9° | 179.0° |
| C19 | C20 | C09 | O10 | 0.0° | 2.6° |
| C19 | C20 | C09 | C08 | 179.5° | 178.7° |
| C19 | C20 | C21 | H2 | 0.1° | 1.1° |
| C13 | C11 | O12 | O10 | 179.6° | 179.9° |
| C13 | C11 | O10 | C09 | 0.6° | 39.3° |
| C11 | C13 | C14 | H15 | 137.1° | 180.0° |
| C11 | C13 | C19 | H19 | 179.8° | 178.6° |
| O12 | C11 | O10 | C09 | 179.8° | 140.6° |
| C20 | C21 | C01 | H2 | 180.0° | 179.9° |
| C21 | C20 | C09 | O10 | 180.0° | 176.5° |
| C21 | C20 | C09 | C08 | 0.4° | 2.2° |
| C20 | C21 | C01 | C02 | 0.4° | 0.5° |
| C20 | C21 | C01 | H3 | 179.6° | 179.6° |
| C21 | C20 | C19 | H19 | 0.3° | 9.2° |
| C09 | C20 | C21 | C01 | 0.1° | 1.9° |
| C20 | C09 | O10 | C11 | 0.4° | 27.6° |
| C20 | C09 | O10 | C08 | 179.6° | 178.8° |
| C20 | C09 | C08 | C02 | 1.2° | 1.1° |
| C09 | C20 | C21 | H2 | 179.9° | 178.0° |
| C20 | C09 | C08 | H14 | 178.9° | 178.9° |
| C09 | C20 | C19 | H19 | 179.7° | 169.9° |
| C21 | C01 | C02 | H3 | 180.0° | 179.9° |
| C21 | C01 | C02 | C08 | 1.1° | 0.6° |
| C21 | C01 | C02 | N03 | 179.5° | 179.4° |
| C11 | O10 | C09 | C08 | 180.0° | 153.7° |
| O10 | C09 | C08 | C02 | 179.3° | 177.6° |
| O10 | C09 | C08 | H14 | 0.7° | 2.3° |
| C09 | C08 | C02 | C01 | 1.5° | 0.3° |
| C09 | C08 | C02 | H14 | 180.0° | 180.0° |
| C09 | C08 | C02 | N03 | 179.9° | 179.7° |
| C01 | C02 | C08 | N03 | 178.4° | 179.9° |
| C01 | C02 | N03 | C04 | 17.1° | 0.1° |
| C01 | C02 | N03 | C06 | 164.9° | 180.0° |
| C02 | C01 | C21 | H2 | 179.5° | 179.4° |
| C01 | C02 | C08 | H14 | 178.5° | 179.7° |
| C08 | C02 | N03 | C04 | 161.2° | 180.0° |
| C08 | C02 | N03 | C06 | 16.7° | 0.0° |
| C08 | C02 | C01 | H3 | 178.9° | 179.3° |
| C02 | N03 | C04 | C06 | 178.1° | 180.0° |
| C02 | N03 | C04 | C05 | 113.7° | 90.0° |
| C02 | N03 | C06 | C07 | 36.2° | 90.0° |
| N03 | C02 | C01 | H3 | 0.5° | 0.8° |
| C02 | N03 | C04 | H4 | 6.5° | 30.0° |
| C02 | N03 | C04 | H5 | 126.2° | 150.0° |
| C02 | N03 | C06 | H9 | 85.2° | 150.0° |
| C02 | N03 | C06 | H10 | 157.5° | 30.0° |
| N03 | C02 | C08 | H14 | 0.2° | 0.3° |
| N03 | C04 | C05 | H4 | 120.1° | 120.0° |
| N03 | C04 | C05 | H5 | 120.2° | 120.0° |
| C04 | N03 | C06 | C07 | 145.9° | 90.0° |
| N03 | C04 | H4 | H5 | 119.5° | 120.0° |
| N03 | C04 | C05 | H6 | 180.0° | 180.0° |
| N03 | C04 | C05 | H7 | 60.0° | 60.0° |
| N03 | C04 | C05 | H8 | 60.0° | 60.0° |
| C04 | N03 | C06 | H9 | 92.8° | 30.0° |
| C04 | N03 | C06 | H10 | 24.5° | 150.0° |
| C06 | N03 | C04 | C05 | 64.5° | 90.0° |
| N03 | C06 | C07 | H9 | 121.3° | 120.0° |
| N03 | C06 | C07 | H10 | 121.3° | 120.0° |
| C06 | N03 | C04 | H4 | 175.4° | 150.0° |
| C06 | N03 | C04 | H5 | 55.7° | 30.0° |
| N03 | C06 | H9 | H10 | 115.7° | 120.0° |
| N03 | C06 | C07 | H11 | 180.0° | 60.1° |
| N03 | C06 | C07 | H12 | 60.0° | 60.0° |
| N03 | C06 | C07 | H13 | 60.0° | 180.0° |
| C05 | C04 | H4 | H5 | 119.6° | 120.0° |
| C04 | C05 | H6 | H7 | 120.0° | 120.0° |
| C04 | C05 | H6 | H8 | 120.0° | 120.1° |
| C04 | C05 | H7 | H8 | 120.0° | 120.0° |
| C07 | C06 | H9 | H10 | 115.7° | 120.0° |
| C06 | C07 | H11 | H12 | 120.0° | 120.0° |
| C06 | C07 | H11 | H13 | 120.0° | 119.9° |
| C06 | C07 | H12 | H13 | 120.0° | 119.9° |
| H1 | C15 | C14 | H15 | 179.7° | 180.0° |
| H1 | C15 | C16 | H16 | 0.0° | 0.1° |
| H1 | C15 | C16 | H17 | 120.0° | 120.0° |
| H1 | C15 | C16 | H18 | 120.0° | 120.1° |
| H2 | C21 | C01 | H3 | 0.4° | 0.5° |
| H4 | C04 | C05 | H6 | 59.8° | 60.0° |
| H4 | C04 | C05 | H7 | 179.9° | 59.9° |
| H4 | C04 | C05 | H8 | 60.1° | 179.9° |
| H5 | C04 | C05 | H6 | 59.9° | 60.0° |
| H5 | C04 | C05 | H7 | 60.2° | 180.0° |
| H5 | C04 | C05 | H8 | 179.8° | 60.0° |
| H6 | C05 | H7 | H8 | 119.9° | 120.0° |
| H9 | C06 | C07 | H11 | 58.7° | 60.0° |
| H9 | C06 | C07 | H12 | 178.6° | 180.0° |
| H9 | C06 | C07 | H13 | 61.4° | 60.0° |
| H10 | C06 | C07 | H11 | 58.6° | 179.9° |
| H10 | C06 | C07 | H12 | 61.3° | 60.0° |
| H10 | C06 | C07 | H13 | 178.7° | 60.0° |
| H11 | C07 | H12 | H13 | 120.0° | 120.0° |
| H16 | C16 | H17 | H18 | 120.0° | 120.0° |
