RHJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C06 | sing | 1.56Å | 1.49Å | |
| C10 | C09 | sing | 1.53Å | 1.56Å | |
| C10 | C12 | sing | 1.52Å | 1.45Å | |
| C10 | O11 | sing | 1.43Å | 1.37Å | |
| C17 | C16 | sing | 1.54Å | 1.53Å | |
| C17 | C18 | sing | 1.54Å | 1.52Å | |
| C02 | O01 | sing | 1.43Å | 1.17Å | |
| C03 | C04 | sing | 1.53Å | 1.44Å | |
| C04 | C05 | sing | 1.55Å | 1.47Å | |
| C04 | O11 | sing | 1.45Å | 1.39Å | |
| C05 | C06 | sing | 1.54Å | 1.41Å | |
| C06 | C07 | sing | 1.54Å | 1.57Å | |
| C07 | N08 | sing | 1.48Å | 1.45Å | |
| C09 | N08 | sing | 1.49Å | 1.52Å | |
| C12 | O13 | sing | 1.43Å | 1.32Å | |
| C14 | C16 | sing | 1.51Å | 1.51Å | |
| C14 | N08 | sing | 1.35Å | 1.44Å | |
| C14 | O15 | doub | 1.21Å | 1.18Å | |
| C16 | C19 | sing | 1.54Å | 1.52Å | |
| C18 | C19 | sing | 1.54Å | 1.53Å | |
| C03 | C02 | sing | 1.53Å | 1.70Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | 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 | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| O01 | H22 | sing | 0.97Å | 0.95Å | |
| O13 | H23 | sing | 0.97Å | 0.95Å | |
| C02 | C12 | sing | 1.54Å | 1.79Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C10 | C09 | 105.3° | 103.5° |
| C06 | C10 | C12 | 114.4° | 109.3° |
| C06 | C10 | O11 | 105.8° | 105.2° |
| C10 | C06 | C05 | 105.1° | 103.3° |
| C10 | C06 | C07 | 107.1° | 103.9° |
| C10 | C06 | H10 | 110.8° | 112.5° |
| C09 | C10 | C12 | 115.6° | 115.5° |
| C09 | C10 | O11 | 108.4° | 112.3° |
| C10 | C09 | N08 | 102.8° | 102.8° |
| C10 | C09 | H13 | 111.1° | 110.7° |
| C10 | C09 | H14 | 111.1° | 110.7° |
| C12 | C10 | O11 | 106.8° | 110.3° |
| C10 | C12 | O13 | 113.0° | 109.9° |
| C10 | C12 | H15 | 108.9° | 109.9° |
| C10 | C12 | C02 | 107.9° | 107.1° |
| C10 | O11 | C04 | 105.4° | 103.6° |
| C16 | C17 | C18 | 87.6° | 87.1° |
| C17 | C16 | C14 | 111.1° | 113.6° |
| C17 | C16 | C19 | 89.2° | 87.1° |
| C16 | C17 | H1 | 114.6° | 113.7° |
| C16 | C17 | H2 | 114.6° | 113.6° |
| C17 | C16 | H17 | 113.0° | 113.6° |
| C17 | C18 | C19 | 88.9° | 87.1° |
| C18 | C17 | H1 | 114.7° | 113.6° |
| C18 | C17 | H2 | 114.6° | 113.6° |
| C17 | C18 | H18 | 114.3° | 113.6° |
| C17 | C18 | H19 | 114.3° | 113.7° |
| O01 | C02 | C03 | 110.0° | 109.4° |
| O01 | C02 | H3 | 115.3° | 109.5° |
| C02 | O01 | H22 | 109.5° | 114.0° |
| O01 | C02 | C12 | 111.2° | 109.4° |
| C03 | C04 | C05 | 110.9° | 109.0° |
| C03 | C04 | O11 | 110.5° | 107.2° |
| C04 | C03 | C02 | 111.8° | 110.9° |
| C04 | C03 | H5 | 108.9° | 109.2° |
| C04 | C03 | H6 | 108.9° | 109.3° |
| C03 | C04 | H7 | 110.2° | 111.8° |
| C05 | C04 | O11 | 104.5° | 104.0° |
| C04 | C05 | C06 | 105.6° | 103.7° |
| C05 | C04 | H7 | 109.7° | 112.0° |
| C04 | C05 | H8 | 110.5° | 110.6° |
| C04 | C05 | H9 | 110.4° | 110.5° |
| O11 | C04 | H7 | 110.9° | 112.4° |
| C05 | C06 | C07 | 112.0° | 111.4° |
| C06 | C05 | H8 | 110.4° | 110.6° |
| C06 | C05 | H9 | 110.4° | 110.6° |
| C05 | C06 | H10 | 112.0° | 112.4° |
| C06 | C07 | N08 | 105.6° | 107.4° |
| C07 | C06 | H10 | 109.7° | 112.7° |
| C06 | C07 | H11 | 110.5° | 109.8° |
| C06 | C07 | H12 | 110.4° | 109.8° |
| C07 | N08 | C09 | 106.8° | 106.3° |
| C07 | N08 | C14 | 126.0° | 126.8° |
| N08 | C07 | H11 | 110.4° | 109.9° |
| N08 | C07 | H12 | 110.4° | 109.9° |
| C09 | N08 | C14 | 127.2° | 126.8° |
| N08 | C09 | H13 | 111.1° | 110.8° |
| N08 | C09 | H14 | 111.1° | 110.7° |
| O13 | C12 | H15 | 110.8° | 110.0° |
| C12 | O13 | H23 | 109.5° | 114.0° |
| O13 | C12 | C02 | 110.7° | 109.9° |
| C16 | C14 | N08 | 118.6° | 120.0° |
| C16 | C14 | O15 | 121.3° | 120.0° |
| C14 | C16 | C19 | 115.0° | 113.6° |
| C14 | C16 | H17 | 113.3° | 112.8° |
| N08 | C14 | O15 | 120.0° | 120.0° |
| C16 | C19 | C18 | 87.4° | 87.1° |
| C19 | C16 | H17 | 113.1° | 113.7° |
| C16 | C19 | H20 | 114.7° | 113.6° |
| C16 | C19 | H21 | 114.7° | 113.6° |
| C19 | C18 | H18 | 114.3° | 113.6° |
| C19 | C18 | H19 | 114.4° | 113.6° |
| C18 | C19 | H20 | 114.6° | 113.6° |
| C18 | C19 | H21 | 114.7° | 113.6° |
| C03 | C02 | H3 | 107.1° | 109.4° |
| C02 | C03 | H5 | 108.9° | 109.2° |
| C02 | C03 | H6 | 108.9° | 109.2° |
| C03 | C02 | C12 | 106.6° | 109.6° |
| H1 | C17 | H2 | 109.5° | 112.9° |
| H3 | C02 | C12 | 106.2° | 109.5° |
| H5 | C03 | H6 | 109.5° | 109.2° |
| H8 | C05 | H9 | 109.5° | 110.6° |
| H11 | C07 | H12 | 109.5° | 110.0° |
| H13 | C09 | H14 | 109.4° | 110.8° |
| H15 | C12 | C02 | 105.2° | 109.9° |
| H18 | C18 | H19 | 109.5° | 112.9° |
| H20 | C19 | H21 | 109.5° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C10 | C09 | C12 | 127.3° | 119.4° |
| C06 | C10 | C09 | O11 | 112.9° | 112.9° |
| C06 | C10 | C12 | O11 | 116.7° | 115.2° |
| C10 | C06 | C05 | C04 | 4.6° | 3.1° |
| C06 | C10 | O11 | C04 | 34.4° | 42.8° |
| C10 | C06 | C05 | C07 | 115.9° | 110.9° |
| C10 | C06 | C05 | H10 | 120.4° | 121.5° |
| C10 | C06 | C07 | H10 | 120.3° | 122.1° |
| C10 | C06 | C07 | N08 | 8.7° | 2.5° |
| C06 | C10 | C09 | N08 | 29.6° | 38.8° |
| C06 | C10 | C12 | O13 | 67.4° | 68.8° |
| C10 | C06 | C05 | H8 | 124.0° | 121.6° |
| C10 | C06 | C05 | H9 | 114.8° | 115.5° |
| C10 | C06 | C07 | H11 | 110.7° | 122.0° |
| C10 | C06 | C07 | H12 | 128.1° | 117.0° |
| C06 | C10 | C09 | H13 | 148.5° | 157.2° |
| C06 | C10 | C09 | H14 | 89.4° | 79.5° |
| C06 | C10 | C12 | H15 | 169.0° | 170.0° |
| C06 | C10 | C12 | C02 | 55.4° | 50.7° |
| C09 | C10 | C12 | O11 | 120.6° | 128.6° |
| C09 | C10 | O11 | C04 | 147.0° | 154.7° |
| C09 | C10 | C06 | C05 | 132.6° | 141.6° |
| C09 | C10 | C06 | C07 | 13.3° | 25.3° |
| C10 | C09 | N08 | C07 | 36.0° | 38.2° |
| C10 | C09 | N08 | H13 | 119.0° | 118.4° |
| C10 | C09 | N08 | H14 | 118.9° | 118.3° |
| C09 | C10 | C12 | O13 | 55.2° | 47.5° |
| C10 | C09 | N08 | C14 | 144.0° | 141.9° |
| C09 | C10 | C06 | H10 | 106.3° | 96.9° |
| C10 | C09 | H13 | H14 | 123.1° | 123.3° |
| C09 | C10 | C12 | H15 | 68.3° | 73.7° |
| C09 | C10 | C12 | C02 | 178.0° | 166.9° |
| C10 | C12 | C02 | O01 | 86.2° | 69.7° |
| C12 | C10 | O11 | C04 | 87.9° | 74.9° |
| C12 | C10 | C06 | C05 | 99.4° | 94.7° |
| C12 | C10 | C06 | C07 | 141.3° | 148.9° |
| C12 | C10 | C09 | N08 | 156.9° | 158.3° |
| C10 | C12 | O13 | H15 | 122.5° | 121.2° |
| C10 | C12 | O13 | C02 | 121.2° | 117.7° |
| C10 | C12 | C02 | C03 | 33.7° | 50.4° |
| C10 | C12 | C02 | H3 | 147.7° | 170.4° |
| C12 | C10 | C06 | H10 | 21.8° | 26.7° |
| C12 | C10 | C09 | H13 | 84.1° | 83.3° |
| C12 | C10 | C09 | H14 | 38.0° | 40.0° |
| C10 | C12 | H15 | C02 | 115.4° | 117.6° |
| C10 | C12 | O13 | H23 | 180.0° | 180.0° |
| C10 | O11 | C04 | C03 | 82.1° | 70.7° |
| C10 | O11 | C04 | C05 | 37.2° | 44.6° |
| O11 | C10 | C06 | C05 | 17.9° | 23.7° |
| O11 | C10 | C06 | C07 | 101.4° | 92.7° |
| O11 | C10 | C09 | N08 | 83.3° | 74.1° |
| O11 | C10 | C12 | O13 | 175.9° | 176.1° |
| C10 | O11 | C04 | H7 | 155.4° | 166.0° |
| O11 | C10 | C06 | H10 | 139.1° | 145.1° |
| O11 | C10 | C09 | H13 | 35.7° | 44.3° |
| O11 | C10 | C09 | H14 | 157.8° | 167.6° |
| O11 | C10 | C12 | H15 | 52.3° | 54.9° |
| O11 | C10 | C12 | C02 | 61.3° | 64.5° |
| C16 | C17 | C18 | H1 | 116.1° | 114.6° |
| C16 | C17 | C18 | H2 | 116.1° | 114.5° |
| C17 | C16 | C14 | C19 | 99.4° | 97.5° |
| C17 | C16 | C14 | H17 | 128.4° | 131.1° |
| C17 | C16 | C14 | N08 | 77.9° | 180.0° |
| C17 | C16 | C14 | O15 | 102.4° | 0.1° |
| C17 | C16 | C19 | H17 | 114.8° | 114.6° |
| C16 | C17 | C18 | C19 | 19.7° | 25.4° |
| C16 | C17 | H1 | H2 | 130.4° | 131.3° |
| C16 | C17 | C18 | H18 | 136.0° | 89.1° |
| C16 | C17 | C18 | H19 | 96.7° | 139.9° |
| C17 | C16 | C19 | H20 | 135.7° | 89.1° |
| C17 | C16 | C19 | H21 | 96.3° | 140.0° |
| C18 | C17 | C16 | C14 | 136.4° | 89.2° |
| C17 | C18 | C19 | H18 | 116.3° | 114.5° |
| C17 | C18 | C19 | H19 | 116.3° | 114.6° |
| C18 | C17 | H1 | H2 | 130.4° | 131.2° |
| C18 | C17 | C16 | H17 | 95.0° | 140.1° |
| C17 | C18 | H18 | H19 | 129.8° | 131.3° |
| C17 | C18 | C19 | H20 | 135.8° | 89.1° |
| C17 | C18 | C19 | H21 | 96.3° | 140.0° |
| O01 | C02 | C03 | C04 | 91.4° | 69.1° |
| O01 | C02 | C12 | O13 | 38.0° | 49.8° |
| O01 | C02 | C03 | H3 | 126.0° | 119.9° |
| O01 | C02 | C03 | C12 | 120.6° | 120.0° |
| O01 | C02 | H3 | C12 | 123.6° | 119.9° |
| O01 | C02 | C03 | H5 | 148.2° | 51.1° |
| O01 | C02 | C03 | H6 | 28.9° | 170.4° |
| O01 | C02 | C12 | H15 | 157.8° | 171.0° |
| C03 | C04 | C05 | O11 | 119.1° | 114.1° |
| C03 | C04 | C05 | H7 | 121.9° | 124.2° |
| C03 | C04 | O11 | H7 | 122.5° | 123.3° |
| C03 | C04 | C05 | C06 | 93.8° | 85.7° |
| C04 | C03 | C02 | H5 | 120.3° | 120.3° |
| C04 | C03 | C02 | H6 | 120.3° | 120.4° |
| C04 | C03 | C02 | H3 | 142.5° | 170.9° |
| C04 | C03 | H5 | H6 | 118.9° | 119.4° |
| C03 | C04 | C05 | H8 | 25.6° | 32.9° |
| C03 | C04 | C05 | H9 | 146.8° | 155.7° |
| C04 | C03 | C02 | C12 | 29.2° | 50.9° |
| C05 | C04 | O11 | H7 | 118.2° | 121.4° |
| C04 | C05 | C06 | H8 | 119.4° | 118.6° |
| C04 | C05 | C06 | H9 | 119.4° | 118.6° |
| C04 | C05 | C06 | C07 | 120.6° | 114.0° |
| C05 | C04 | C03 | C02 | 63.6° | 50.7° |
| C05 | C04 | C03 | H5 | 176.1° | 69.6° |
| C05 | C04 | C03 | H6 | 56.8° | 171.0° |
| C04 | C05 | H8 | H9 | 121.8° | 122.8° |
| C04 | C05 | C06 | H10 | 115.8° | 118.5° |
| O11 | C04 | C05 | C06 | 25.3° | 28.5° |
| O11 | C04 | C03 | C02 | 51.8° | 61.4° |
| O11 | C04 | C03 | H5 | 68.5° | 178.4° |
| O11 | C04 | C03 | H6 | 172.2° | 59.0° |
| O11 | C04 | C05 | H8 | 144.7° | 147.0° |
| O11 | C04 | C05 | H9 | 94.1° | 90.1° |
| C05 | C06 | C07 | H10 | 125.0° | 127.4° |
| C05 | C06 | C07 | N08 | 106.1° | 113.0° |
| C06 | C05 | C04 | H7 | 144.3° | 150.1° |
| C06 | C05 | H8 | H9 | 121.8° | 122.9° |
| C05 | C06 | C07 | H11 | 134.6° | 127.5° |
| C05 | C06 | C07 | H12 | 13.3° | 6.4° |
| C06 | C07 | N08 | H11 | 119.4° | 119.5° |
| C06 | C07 | N08 | H12 | 119.4° | 119.4° |
| C06 | C07 | N08 | C09 | 28.0° | 22.2° |
| C06 | C07 | N08 | C14 | 152.0° | 157.8° |
| C07 | C06 | C05 | H8 | 120.0° | 127.5° |
| C07 | C06 | C05 | H9 | 1.2° | 4.6° |
| C06 | C07 | H11 | H12 | 121.8° | 120.9° |
| C07 | N08 | C09 | C14 | 180.0° | 180.0° |
| C07 | N08 | C14 | C16 | 180.0° | 0.1° |
| C07 | N08 | C14 | O15 | 0.3° | 180.0° |
| N08 | C07 | C06 | H10 | 129.0° | 119.6° |
| N08 | C07 | H11 | H12 | 121.8° | 121.1° |
| C07 | N08 | C09 | H13 | 154.9° | 156.5° |
| C07 | N08 | C09 | H14 | 83.0° | 80.1° |
| C09 | N08 | C14 | C16 | 0.0° | 179.9° |
| C09 | N08 | C14 | O15 | 179.7° | 0.0° |
| C09 | N08 | C07 | H11 | 91.4° | 97.3° |
| C09 | N08 | C07 | H12 | 147.4° | 141.6° |
| N08 | C09 | H13 | H14 | 123.1° | 123.3° |
| O13 | C12 | C02 | C03 | 157.9° | 169.8° |
| O13 | C12 | C02 | H3 | 88.1° | 70.2° |
| O13 | C12 | H15 | C02 | 119.7° | 121.2° |
| C16 | C14 | N08 | O15 | 179.7° | 179.9° |
| C14 | C16 | C19 | H17 | 132.3° | 130.9° |
| C14 | C16 | C19 | C18 | 132.7° | 89.1° |
| C14 | C16 | C17 | H1 | 20.3° | 25.4° |
| C14 | C16 | C17 | H2 | 107.5° | 156.3° |
| C14 | C16 | C19 | H20 | 111.3° | 156.4° |
| C14 | C16 | C19 | H21 | 16.6° | 25.4° |
| N08 | C14 | C16 | C19 | 177.3° | 82.5° |
| C14 | N08 | C07 | H11 | 88.6° | 82.7° |
| C14 | N08 | C07 | H12 | 32.6° | 38.4° |
| C14 | N08 | C09 | H13 | 25.1° | 23.5° |
| C14 | N08 | C09 | H14 | 97.0° | 99.9° |
| N08 | C14 | C16 | H17 | 50.5° | 48.9° |
| O15 | C14 | C16 | C19 | 3.0° | 97.5° |
| O15 | C14 | C16 | H17 | 129.2° | 131.2° |
| C16 | C19 | C18 | H20 | 116.1° | 114.5° |
| C16 | C19 | C18 | H21 | 116.0° | 114.6° |
| C19 | C16 | C17 | H1 | 96.3° | 140.0° |
| C19 | C16 | C17 | H2 | 135.9° | 89.1° |
| C16 | C19 | C18 | H18 | 136.1° | 89.1° |
| C16 | C19 | C18 | H19 | 96.6° | 140.0° |
| C16 | C19 | H20 | H21 | 130.5° | 131.3° |
| C19 | C18 | C17 | H1 | 96.4° | 140.0° |
| C19 | C18 | C17 | H2 | 135.7° | 89.1° |
| C18 | C19 | C16 | H17 | 95.1° | 140.0° |
| C19 | C18 | H18 | H19 | 129.8° | 131.2° |
| C18 | C19 | H20 | H21 | 130.5° | 131.3° |
| C03 | C02 | H3 | C12 | 113.6° | 120.2° |
| C02 | C03 | H5 | H6 | 119.0° | 119.3° |
| C02 | C03 | C04 | H7 | 174.7° | 175.0° |
| C03 | C02 | C12 | H15 | 82.4° | 69.0° |
| C03 | C02 | O01 | H22 | 180.0° | 59.9° |
| H1 | C17 | C16 | H17 | 148.9° | 105.3° |
| H1 | C17 | C18 | H18 | 19.9° | 25.5° |
| H1 | C17 | C18 | H19 | 147.3° | 105.5° |
| H2 | C17 | C16 | H17 | 21.0° | 25.6° |
| H2 | C17 | C18 | H18 | 107.9° | 156.4° |
| H2 | C17 | C18 | H19 | 19.4° | 25.4° |
| H3 | C02 | C03 | H5 | 22.2° | 68.8° |
| H3 | C02 | C03 | H6 | 97.1° | 50.5° |
| H3 | C02 | C12 | H15 | 31.6° | 51.0° |
| H3 | C02 | O01 | H22 | 58.7° | 60.0° |
| H5 | C03 | C04 | H7 | 54.4° | 54.7° |
| H5 | C03 | C02 | C12 | 91.2° | 171.2° |
| H6 | C03 | C04 | H7 | 64.9° | 64.7° |
| H6 | C03 | C02 | C12 | 149.5° | 69.6° |
| H7 | C04 | C05 | H8 | 96.4° | 91.3° |
| H7 | C04 | C05 | H9 | 24.9° | 31.5° |
| H8 | C05 | C06 | H10 | 3.6° | 0.1° |
| H9 | C05 | C06 | H10 | 124.9° | 123.0° |
| H10 | C06 | C07 | H11 | 9.6° | 0.1° |
| H10 | C06 | C07 | H12 | 111.7° | 120.9° |
| H15 | C12 | O13 | H23 | 57.5° | 58.8° |
| H17 | C16 | C19 | H20 | 21.0° | 25.5° |
| H17 | C16 | C19 | H21 | 148.9° | 105.5° |
| H18 | C18 | C19 | H20 | 107.9° | 156.3° |
| H18 | C18 | C19 | H21 | 20.0° | 25.4° |
| H19 | C18 | C19 | H20 | 19.4° | 25.5° |
| H19 | C18 | C19 | H21 | 147.4° | 105.4° |
| H22 | O01 | C02 | C12 | 62.2° | 179.9° |
| H23 | O13 | C12 | C02 | 58.8° | 62.4° |
