RH2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N08 | C07 | sing | 1.47Å | 1.50Å | |
| C07 | C06 | sing | 1.53Å | 1.56Å | |
| C06 | C05 | sing | 1.53Å | 1.56Å | |
| C05 | C04 | sing | 1.53Å | 1.54Å | |
| C04 | C03 | sing | 1.53Å | 1.60Å | |
| O22 | C02 | doub | 1.21Å | 1.22Å | |
| C03 | C02 | sing | 1.51Å | 1.57Å | |
| C03 | N09 | sing | 1.47Å | 1.50Å | |
| C12 | C13 | sing | 1.38Å | 1.50Å | Aromatic |
| C12 | C11 | doub | 1.34Å | 1.48Å | Aromatic |
| C02 | N01 | sing | 1.35Å | 1.34Å | |
| C13 | C14 | doub | 1.35Å | 1.49Å | Aromatic |
| N09 | C10 | sing | 1.47Å | 1.47Å | |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C11 | S21 | sing | 1.76Å | 1.63Å | Aromatic |
| C14 | C15 | sing | 1.48Å | 1.38Å | |
| C14 | S21 | sing | 1.76Å | 1.64Å | Aromatic |
| C20 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
| C20 | N19 | sing | 1.32Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| N19 | C18 | doub | 1.32Å | 1.42Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| N01 | H1 | sing | 0.97Å | 1.00Å | |
| N01 | H2 | sing | 0.97Å | 1.00Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| N08 | H12 | sing | 1.01Å | 1.00Å | |
| N08 | H13 | sing | 1.01Å | 1.00Å | |
| N09 | H15 | sing | 1.01Å | 1.00Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.08Å | 1.08Å | |
| C13 | H22 | sing | 1.08Å | 1.08Å | |
| C16 | H25 | sing | 1.08Å | 1.08Å | |
| C17 | H26 | sing | 1.08Å | 1.08Å | |
| C18 | H27 | sing | 1.08Å | 1.08Å | |
| C20 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N08 | C07 | C06 | 116.9° | 109.5° |
| N08 | C07 | H10 | 107.6° | 109.5° |
| N08 | C07 | H11 | 107.6° | 109.5° |
| C07 | N08 | H12 | 109.5° | 111.0° |
| C07 | N08 | H13 | 109.5° | 110.9° |
| C07 | C06 | C05 | 100.6° | 109.5° |
| C07 | C06 | H8 | 111.6° | 109.4° |
| C07 | C06 | H9 | 111.6° | 109.5° |
| C06 | C07 | H10 | 107.6° | 109.4° |
| C06 | C07 | H11 | 107.6° | 109.5° |
| C06 | C05 | C04 | 116.2° | 109.5° |
| C06 | C05 | H6 | 107.8° | 109.5° |
| C06 | C05 | H7 | 107.7° | 109.5° |
| C05 | C06 | H8 | 111.6° | 109.5° |
| C05 | C06 | H9 | 111.6° | 109.5° |
| C05 | C04 | C03 | 109.8° | 109.5° |
| C05 | C04 | H4 | 109.4° | 109.4° |
| C05 | C04 | H5 | 109.4° | 109.5° |
| C04 | C05 | H6 | 107.8° | 109.4° |
| C04 | C05 | H7 | 107.8° | 109.5° |
| C04 | C03 | C02 | 113.7° | 109.5° |
| C04 | C03 | N09 | 116.1° | 109.4° |
| C04 | C03 | H3 | 105.8° | 109.4° |
| C03 | C04 | H4 | 109.4° | 109.5° |
| C03 | C04 | H5 | 109.4° | 109.5° |
| O22 | C02 | C03 | 120.3° | 120.0° |
| O22 | C02 | N01 | 120.9° | 120.0° |
| C02 | C03 | N09 | 107.7° | 109.5° |
| C03 | C02 | N01 | 118.8° | 120.0° |
| C02 | C03 | H3 | 106.1° | 109.5° |
| C03 | N09 | C10 | 112.2° | 111.0° |
| N09 | C03 | H3 | 106.8° | 109.5° |
| C03 | N09 | H15 | 108.8° | 111.0° |
| C13 | C12 | C11 | 109.0° | 115.1° |
| C12 | C13 | C14 | 108.1° | 114.7° |
| C13 | C12 | H20 | 125.5° | 122.5° |
| C12 | C13 | H22 | 125.9° | 122.7° |
| C12 | C11 | C10 | 127.7° | 125.1° |
| C12 | C11 | S21 | 108.9° | 109.7° |
| C11 | C12 | H20 | 125.5° | 122.4° |
| C02 | N01 | H1 | 120.0° | 120.0° |
| C02 | N01 | H2 | 120.0° | 120.0° |
| C13 | C14 | C15 | 124.4° | 125.2° |
| C13 | C14 | S21 | 110.0° | 109.5° |
| C14 | C13 | H22 | 125.9° | 122.6° |
| N09 | C10 | C11 | 105.7° | 109.5° |
| C10 | N09 | H15 | 108.8° | 111.0° |
| N09 | C10 | H17 | 110.4° | 109.4° |
| N09 | C10 | H18 | 110.4° | 109.5° |
| C10 | C11 | S21 | 123.3° | 125.1° |
| C11 | C10 | H17 | 110.4° | 109.4° |
| C11 | C10 | H18 | 110.4° | 109.5° |
| C11 | S21 | C14 | 99.4° | 91.0° |
| C15 | C14 | S21 | 125.4° | 125.3° |
| C14 | C15 | C20 | 119.9° | 120.6° |
| C14 | C15 | C16 | 118.0° | 120.5° |
| C15 | C20 | N19 | 117.6° | 120.5° |
| C20 | C15 | C16 | 122.1° | 118.9° |
| C15 | C20 | H28 | 121.2° | 119.7° |
| C20 | N19 | C18 | 120.1° | 121.9° |
| N19 | C20 | H28 | 121.2° | 119.7° |
| C15 | C16 | C17 | 120.4° | 118.3° |
| C15 | C16 | H25 | 119.8° | 120.9° |
| N19 | C18 | C17 | 120.7° | 121.1° |
| N19 | C18 | H27 | 119.7° | 119.5° |
| C16 | C17 | C18 | 119.1° | 119.3° |
| C17 | C16 | H25 | 119.8° | 120.8° |
| C16 | C17 | H26 | 120.4° | 120.3° |
| C18 | C17 | H26 | 120.4° | 120.4° |
| C17 | C18 | H27 | 119.7° | 119.4° |
| H1 | N01 | H2 | 119.9° | 120.0° |
| H4 | C04 | H5 | 109.5° | 109.5° |
| H6 | C05 | H7 | 109.5° | 109.4° |
| H8 | C06 | H9 | 109.5° | 109.4° |
| H10 | C07 | H11 | 109.4° | 109.5° |
| H12 | N08 | H13 | 109.4° | 111.0° |
| H17 | C10 | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N08 | C07 | C06 | H10 | 121.1° | 120.0° |
| N08 | C07 | C06 | H11 | 121.1° | 120.1° |
| N08 | C07 | C06 | C05 | 164.3° | 180.0° |
| N08 | C07 | C06 | H8 | 45.7° | 60.0° |
| N08 | C07 | C06 | H9 | 77.2° | 59.9° |
| N08 | C07 | H10 | H11 | 116.6° | 120.1° |
| C07 | N08 | H12 | H13 | 120.0° | 123.9° |
| C07 | C06 | C05 | H8 | 118.6° | 120.0° |
| C07 | C06 | C05 | H9 | 118.6° | 120.0° |
| C07 | C06 | C05 | C04 | 160.7° | 180.0° |
| C07 | C06 | C05 | H6 | 39.7° | 60.0° |
| C07 | C06 | C05 | H7 | 78.3° | 60.0° |
| C07 | C06 | H8 | H9 | 124.1° | 119.9° |
| C06 | C07 | H10 | H11 | 116.6° | 120.0° |
| C06 | C07 | N08 | H12 | 180.0° | 56.0° |
| C06 | C07 | N08 | H13 | 60.0° | 180.0° |
| C06 | C05 | C04 | H6 | 121.0° | 120.0° |
| C06 | C05 | C04 | H7 | 121.0° | 120.1° |
| C06 | C05 | C04 | C03 | 167.4° | 180.0° |
| C06 | C05 | C04 | H4 | 72.6° | 60.0° |
| C06 | C05 | C04 | H5 | 47.4° | 59.9° |
| C06 | C05 | H6 | H7 | 116.9° | 120.1° |
| C05 | C06 | H8 | H9 | 124.1° | 120.1° |
| C05 | C06 | C07 | H10 | 74.6° | 60.0° |
| C05 | C06 | C07 | H11 | 43.2° | 59.9° |
| C05 | C04 | C03 | H4 | 120.0° | 119.9° |
| C05 | C04 | C03 | H5 | 120.0° | 120.0° |
| C05 | C04 | C03 | C02 | 104.9° | 175.0° |
| C05 | C04 | C03 | N09 | 20.8° | 65.0° |
| C05 | C04 | C03 | H3 | 139.1° | 55.0° |
| C05 | C04 | H4 | H5 | 119.9° | 120.0° |
| C04 | C05 | H6 | H7 | 117.0° | 119.9° |
| C04 | C05 | C06 | H8 | 80.7° | 60.0° |
| C04 | C05 | C06 | H9 | 42.2° | 60.0° |
| C04 | C03 | C02 | O22 | 25.2° | 120.0° |
| C04 | C03 | C02 | N09 | 130.1° | 120.0° |
| C04 | C03 | C02 | H3 | 115.8° | 120.0° |
| C04 | C03 | N09 | H3 | 117.7° | 120.0° |
| C04 | C03 | C02 | N01 | 157.2° | 60.0° |
| C04 | C03 | N09 | C10 | 132.6° | 155.0° |
| C03 | C04 | H4 | H5 | 119.9° | 120.0° |
| C03 | C04 | C05 | H6 | 46.4° | 59.9° |
| C03 | C04 | C05 | H7 | 71.6° | 59.9° |
| C04 | C03 | N09 | H15 | 106.9° | 81.1° |
| O22 | C02 | C03 | N01 | 177.6° | 179.9° |
| O22 | C02 | C03 | N09 | 155.3° | 0.0° |
| O22 | C02 | N01 | H1 | 0.0° | 180.0° |
| O22 | C02 | N01 | H2 | 180.0° | 0.2° |
| O22 | C02 | C03 | H3 | 90.6° | 120.0° |
| C02 | C03 | N09 | H3 | 113.6° | 120.1° |
| C02 | C03 | N09 | C10 | 98.7° | 85.0° |
| C03 | C02 | N01 | H1 | 177.6° | 0.0° |
| C03 | C02 | N01 | H2 | 2.4° | 179.7° |
| C02 | C03 | C04 | H4 | 135.0° | 65.0° |
| C02 | C03 | C04 | H5 | 15.1° | 55.0° |
| C02 | C03 | N09 | H15 | 21.8° | 38.9° |
| N09 | C03 | C02 | N01 | 27.1° | 180.0° |
| C03 | N09 | C10 | H15 | 120.4° | 123.9° |
| C03 | N09 | C10 | C11 | 84.5° | 180.0° |
| N09 | C03 | C04 | H4 | 99.2° | 55.0° |
| N09 | C03 | C04 | H5 | 140.8° | 175.0° |
| C03 | N09 | C10 | H17 | 34.9° | 60.0° |
| C03 | N09 | C10 | H18 | 156.1° | 59.9° |
| C13 | C12 | C11 | H20 | 180.0° | 180.0° |
| C12 | C13 | C14 | H22 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 161.1° | 180.0° |
| C13 | C12 | C11 | S21 | 22.5° | 0.2° |
| C12 | C13 | C14 | C15 | 175.9° | 180.0° |
| C12 | C13 | C14 | S21 | 8.6° | 0.3° |
| C11 | C12 | C13 | C14 | 19.4° | 0.1° |
| C12 | C11 | C10 | N09 | 24.8° | 90.2° |
| C12 | C11 | C10 | S21 | 176.0° | 179.7° |
| C12 | C11 | S21 | C14 | 15.8° | 0.3° |
| C12 | C11 | C10 | H17 | 144.3° | 29.8° |
| C12 | C11 | C10 | H18 | 94.6° | 149.7° |
| C11 | C12 | C13 | H22 | 160.6° | 180.0° |
| C02 | N01 | H1 | H2 | 180.0° | 179.8° |
| N01 | C02 | C03 | H3 | 87.0° | 60.0° |
| C13 | C14 | S21 | C11 | 4.2° | 0.4° |
| C13 | C14 | C15 | S21 | 174.7° | 179.6° |
| C13 | C14 | C15 | C20 | 17.0° | 0.3° |
| C13 | C14 | C15 | C16 | 164.8° | 180.0° |
| C14 | C13 | C12 | H20 | 160.6° | 180.0° |
| N09 | C10 | C11 | H17 | 119.4° | 120.0° |
| N09 | C10 | C11 | H18 | 119.4° | 120.1° |
| N09 | C10 | C11 | S21 | 151.1° | 90.0° |
| C10 | N09 | C03 | H3 | 15.0° | 35.1° |
| N09 | C10 | H17 | H18 | 121.7° | 120.0° |
| C10 | C11 | S21 | C14 | 167.6° | 179.9° |
| C11 | C10 | N09 | H15 | 155.1° | 56.1° |
| C11 | C10 | H17 | H18 | 121.7° | 120.0° |
| C10 | C11 | C12 | H20 | 18.9° | 0.0° |
| C11 | S21 | C14 | C15 | 171.2° | 180.0° |
| S21 | C11 | C10 | H17 | 31.7° | 150.0° |
| S21 | C11 | C10 | H18 | 89.5° | 30.0° |
| S21 | C11 | C12 | H20 | 157.5° | 179.7° |
| C14 | C15 | C20 | C16 | 178.1° | 179.7° |
| C14 | C15 | C20 | N19 | 178.1° | 179.8° |
| C14 | C15 | C16 | C17 | 179.2° | 180.0° |
| C15 | C14 | C13 | H22 | 4.1° | 0.1° |
| C14 | C15 | C16 | H25 | 0.8° | 0.1° |
| C14 | C15 | C20 | H28 | 1.9° | 0.0° |
| S21 | C14 | C15 | C20 | 157.7° | 179.9° |
| S21 | C14 | C15 | C16 | 20.5° | 0.4° |
| S21 | C14 | C13 | H22 | 171.4° | 179.8° |
| C15 | C20 | N19 | H28 | 180.0° | 179.7° |
| C15 | C20 | N19 | C18 | 0.9° | 0.5° |
| C20 | C15 | C16 | C17 | 1.1° | 0.3° |
| C20 | C15 | C16 | H25 | 178.9° | 179.8° |
| N19 | C20 | C15 | C16 | 0.0° | 0.5° |
| C20 | N19 | C18 | C17 | 0.8° | 0.3° |
| C20 | N19 | C18 | H27 | 179.2° | 179.7° |
| C15 | C16 | C17 | H25 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 1.2° | 0.1° |
| C15 | C16 | C17 | H26 | 178.8° | 180.0° |
| C16 | C15 | C20 | H28 | 180.0° | 179.7° |
| N19 | C18 | C17 | C16 | 0.3° | 0.0° |
| N19 | C18 | C17 | H27 | 180.0° | 180.0° |
| N19 | C18 | C17 | H26 | 179.7° | 179.9° |
| C18 | N19 | C20 | H28 | 179.1° | 179.7° |
| C16 | C17 | C18 | H26 | 180.0° | 179.9° |
| C16 | C17 | C18 | H27 | 179.7° | 180.0° |
| C18 | C17 | C16 | H25 | 178.8° | 180.0° |
| H3 | C03 | C04 | H4 | 19.0° | 174.9° |
| H3 | C03 | C04 | H5 | 100.9° | 65.0° |
| H3 | C03 | N09 | H15 | 135.4° | 159.0° |
| H4 | C04 | C05 | H6 | 166.5° | 179.9° |
| H4 | C04 | C05 | H7 | 48.4° | 60.0° |
| H5 | C04 | C05 | H6 | 73.6° | 60.1° |
| H5 | C04 | C05 | H7 | 168.3° | 180.0° |
| H6 | C05 | C06 | H8 | 158.3° | 180.0° |
| H6 | C05 | C06 | H9 | 78.8° | 60.0° |
| H7 | C05 | C06 | H8 | 40.3° | 60.0° |
| H7 | C05 | C06 | H9 | 163.2° | 180.0° |
| H8 | C06 | C07 | H10 | 166.8° | 180.0° |
| H8 | C06 | C07 | H11 | 75.4° | 60.1° |
| H9 | C06 | C07 | H10 | 43.9° | 60.1° |
| H9 | C06 | C07 | H11 | 161.7° | 180.0° |
| H10 | C07 | N08 | H12 | 58.9° | 63.9° |
| H10 | C07 | N08 | H13 | 61.1° | 60.0° |
| H11 | C07 | N08 | H12 | 58.9° | 176.1° |
| H11 | C07 | N08 | H13 | 178.9° | 60.0° |
| H15 | N09 | C10 | H17 | 85.5° | 176.0° |
| H15 | N09 | C10 | H18 | 35.7° | 64.0° |
| H20 | C12 | C13 | H22 | 19.4° | 0.1° |
| H25 | C16 | C17 | H26 | 1.2° | 0.1° |
| H26 | C17 | C18 | H27 | 0.3° | 0.0° |
