RHG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | S02 | doub | 1.42Å | 1.47Å | |
| O03 | S02 | doub | 1.42Å | 1.48Å | |
| O15 | C08 | sing | 1.44Å | 1.42Å | |
| O15 | C13 | sing | 1.44Å | 1.43Å | |
| C08 | C07 | sing | 1.51Å | 1.46Å | |
| C08 | C09 | sing | 1.56Å | 1.52Å | |
| S02 | N04 | sing | 1.66Å | 1.72Å | |
| S02 | C16 | sing | 1.81Å | 1.78Å | |
| C07 | C06 | sing | 1.54Å | 1.48Å | |
| C14 | N04 | sing | 1.48Å | 1.45Å | |
| C14 | C13 | sing | 1.50Å | 1.52Å | |
| F17 | C16 | sing | 1.40Å | 1.39Å | |
| N04 | C05 | sing | 1.48Å | 1.47Å | |
| C13 | C06 | sing | 1.60Å | 1.46Å | |
| C13 | C12 | sing | 1.53Å | 1.49Å | |
| C09 | C10 | sing | 1.50Å | 1.53Å | |
| C16 | F18 | sing | 1.40Å | 1.39Å | |
| C16 | F19 | sing | 1.40Å | 1.36Å | |
| C05 | C06 | sing | 1.53Å | 1.56Å | |
| C10 | N11 | sing | 1.45Å | 1.47Å | |
| C12 | N11 | sing | 1.45Å | 1.43Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| N11 | H15 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | S02 | O03 | 102.7° | 121.0° |
| O01 | S02 | N04 | 110.3° | 104.3° |
| O01 | S02 | C16 | 110.8° | 110.5° |
| O03 | S02 | N04 | 111.7° | 104.3° |
| O03 | S02 | C16 | 112.0° | 110.6° |
| C08 | O15 | C13 | 104.8° | 110.6° |
| O15 | C08 | C07 | 104.7° | 105.4° |
| O15 | C08 | C09 | 107.2° | 103.8° |
| O15 | C08 | H8 | 111.7° | 108.8° |
| O15 | C13 | C14 | 107.9° | 115.2° |
| O15 | C13 | C06 | 108.0° | 98.3° |
| O15 | C13 | C12 | 110.3° | 115.2° |
| C07 | C08 | C09 | 111.7° | 119.2° |
| C08 | C07 | C06 | 101.6° | 105.1° |
| C08 | C07 | H6 | 111.4° | 110.3° |
| C08 | C07 | H7 | 111.4° | 110.5° |
| C07 | C08 | H8 | 111.1° | 109.6° |
| C08 | C09 | C10 | 119.7° | 108.3° |
| C09 | C08 | H8 | 110.3° | 109.5° |
| C08 | C09 | H9 | 106.9° | 109.7° |
| C08 | C09 | H10 | 106.8° | 109.7° |
| N04 | S02 | C16 | 109.2° | 104.4° |
| S02 | N04 | C14 | 123.7° | 125.9° |
| S02 | N04 | C05 | 122.8° | 125.9° |
| S02 | C16 | F17 | 108.4° | 109.5° |
| S02 | C16 | F18 | 108.9° | 109.5° |
| S02 | C16 | F19 | 110.1° | 109.5° |
| C07 | C06 | C13 | 104.6° | 100.7° |
| C07 | C06 | C05 | 113.0° | 114.4° |
| C07 | C06 | H5 | 111.2° | 114.1° |
| C06 | C07 | H6 | 111.4° | 110.3° |
| C06 | C07 | H7 | 111.4° | 110.3° |
| N04 | C14 | C13 | 107.4° | 106.7° |
| C14 | N04 | C05 | 110.1° | 108.2° |
| N04 | C14 | H13 | 110.0° | 110.0° |
| N04 | C14 | H14 | 110.0° | 110.0° |
| C14 | C13 | C06 | 108.6° | 101.9° |
| C14 | C13 | C12 | 111.9° | 121.8° |
| C13 | C14 | H13 | 110.0° | 110.0° |
| C13 | C14 | H14 | 110.0° | 110.0° |
| F17 | C16 | F18 | 110.2° | 109.5° |
| F17 | C16 | F19 | 109.9° | 109.5° |
| N04 | C05 | C06 | 106.4° | 104.0° |
| N04 | C05 | H3 | 110.2° | 110.5° |
| N04 | C05 | H4 | 110.2° | 110.7° |
| C06 | C13 | C12 | 110.1° | 97.7° |
| C13 | C06 | C05 | 106.3° | 98.5° |
| C13 | C06 | H5 | 111.4° | 114.1° |
| C13 | C12 | N11 | 121.2° | 109.5° |
| C13 | C12 | H11 | 106.5° | 109.5° |
| C13 | C12 | H12 | 106.5° | 109.4° |
| C09 | C10 | N11 | 120.9° | 116.8° |
| C09 | C10 | H1 | 106.5° | 108.0° |
| C09 | C10 | H2 | 106.5° | 107.9° |
| C10 | C09 | H9 | 106.8° | 109.7° |
| C10 | C09 | H10 | 106.9° | 109.7° |
| F18 | C16 | F19 | 109.3° | 109.4° |
| C06 | C05 | H3 | 110.2° | 110.5° |
| C06 | C05 | H4 | 110.3° | 110.5° |
| C05 | C06 | H5 | 110.0° | 113.4° |
| C10 | N11 | C12 | 111.0° | 106.3° |
| N11 | C10 | H1 | 106.5° | 108.0° |
| N11 | C10 | H2 | 106.6° | 108.0° |
| C10 | N11 | H15 | 109.1° | 111.0° |
| N11 | C12 | H11 | 106.5° | 109.4° |
| N11 | C12 | H12 | 106.5° | 109.4° |
| C12 | N11 | H15 | 109.0° | 111.0° |
| H1 | C10 | H2 | 109.5° | 107.8° |
| H3 | C05 | H4 | 109.5° | 110.5° |
| H6 | C07 | H7 | 109.5° | 110.3° |
| H9 | C09 | H10 | 109.5° | 109.7° |
| H11 | C12 | H12 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | S02 | O03 | N04 | 118.2° | 116.7° |
| O01 | S02 | O03 | C16 | 119.0° | 131.5° |
| O01 | S02 | N04 | C16 | 122.0° | 116.1° |
| O01 | S02 | N04 | C14 | 106.7° | 26.0° |
| O01 | S02 | C16 | F17 | 33.8° | 68.4° |
| O01 | S02 | N04 | C05 | 50.3° | 153.9° |
| O01 | S02 | C16 | F18 | 153.7° | 171.6° |
| O01 | S02 | C16 | F19 | 86.5° | 51.6° |
| O03 | S02 | N04 | C16 | 124.5° | 116.1° |
| O03 | S02 | N04 | C14 | 6.9° | 153.9° |
| O03 | S02 | C16 | F17 | 80.3° | 68.4° |
| O03 | S02 | N04 | C05 | 163.8° | 26.0° |
| O03 | S02 | C16 | F18 | 39.6° | 51.6° |
| O03 | S02 | C16 | F19 | 159.5° | 171.6° |
| O15 | C08 | C07 | C09 | 115.8° | 115.9° |
| O15 | C08 | C07 | H8 | 120.7° | 116.9° |
| O15 | C08 | C09 | H8 | 121.8° | 116.0° |
| O15 | C08 | C07 | C06 | 40.5° | 5.5° |
| C08 | O15 | C13 | C14 | 134.0° | 149.4° |
| C08 | O15 | C13 | C06 | 16.9° | 42.0° |
| C08 | O15 | C13 | C12 | 103.5° | 60.6° |
| O15 | C08 | C09 | C10 | 8.5° | 72.1° |
| O15 | C08 | C07 | H6 | 159.2° | 124.4° |
| O15 | C08 | C07 | H7 | 78.3° | 113.5° |
| O15 | C08 | C09 | H9 | 112.9° | 168.2° |
| O15 | C08 | C09 | H10 | 130.0° | 47.6° |
| C13 | O15 | C08 | C07 | 36.0° | 24.6° |
| C13 | O15 | C08 | C09 | 82.9° | 101.4° |
| O15 | C13 | C06 | C07 | 8.3° | 41.9° |
| O15 | C13 | C14 | N04 | 126.7° | 76.2° |
| O15 | C13 | C14 | C06 | 116.8° | 105.2° |
| O15 | C13 | C14 | C12 | 121.6° | 147.8° |
| O15 | C13 | C06 | C12 | 120.5° | 117.0° |
| O15 | C13 | C06 | C05 | 128.1° | 75.0° |
| O15 | C13 | C12 | N11 | 63.6° | 28.8° |
| O15 | C13 | C06 | H5 | 112.0° | 164.5° |
| C13 | O15 | C08 | H8 | 156.3° | 142.0° |
| O15 | C13 | C12 | H11 | 174.8° | 91.3° |
| O15 | C13 | C12 | H12 | 58.0° | 148.7° |
| O15 | C13 | C14 | H13 | 113.6° | 43.2° |
| O15 | C13 | C14 | H14 | 7.0° | 164.5° |
| C07 | C08 | C09 | H8 | 124.0° | 127.2° |
| C08 | C07 | C06 | H6 | 118.7° | 118.9° |
| C08 | C07 | C06 | H7 | 118.7° | 119.1° |
| C08 | C07 | C06 | C13 | 29.2° | 29.2° |
| C07 | C08 | C09 | C10 | 105.7° | 44.7° |
| C08 | C07 | C06 | C05 | 144.5° | 75.3° |
| C08 | C07 | C06 | H5 | 91.2° | 151.8° |
| C08 | C07 | H6 | H7 | 123.6° | 122.3° |
| C07 | C08 | C09 | H9 | 132.9° | 75.1° |
| C07 | C08 | C09 | H10 | 15.8° | 164.4° |
| C09 | C08 | C07 | C06 | 75.3° | 121.4° |
| C08 | C09 | C10 | H9 | 121.5° | 119.7° |
| C08 | C09 | C10 | H10 | 121.4° | 119.7° |
| C08 | C09 | C10 | N11 | 63.5° | 62.4° |
| C08 | C09 | C10 | H1 | 58.1° | 175.7° |
| C08 | C09 | C10 | H2 | 174.9° | 59.4° |
| C09 | C08 | C07 | H6 | 43.5° | 119.7° |
| C09 | C08 | C07 | H7 | 166.0° | 2.4° |
| C08 | C09 | H9 | H10 | 115.3° | 120.5° |
| S02 | N04 | C14 | C05 | 159.5° | 179.9° |
| S02 | N04 | C14 | C13 | 163.7° | 177.0° |
| N04 | S02 | C16 | F17 | 155.4° | 180.0° |
| N04 | S02 | C16 | F18 | 84.7° | 60.0° |
| N04 | S02 | C16 | F19 | 35.2° | 60.0° |
| S02 | N04 | C05 | C06 | 157.0° | 154.2° |
| S02 | N04 | C05 | H3 | 37.5° | 35.7° |
| S02 | N04 | C05 | H4 | 83.4° | 87.0° |
| S02 | N04 | C14 | H13 | 76.7° | 57.6° |
| S02 | N04 | C14 | H14 | 44.0° | 63.7° |
| C16 | S02 | N04 | C14 | 131.3° | 90.0° |
| S02 | C16 | F17 | F18 | 119.1° | 120.0° |
| S02 | C16 | F17 | F19 | 120.4° | 120.0° |
| C16 | S02 | N04 | C05 | 71.7° | 90.1° |
| S02 | C16 | F18 | F19 | 120.3° | 120.0° |
| C07 | C06 | C13 | C14 | 108.5° | 160.0° |
| C07 | C06 | C05 | N04 | 105.4° | 147.5° |
| C07 | C06 | C13 | C05 | 119.9° | 116.9° |
| C07 | C06 | C13 | H5 | 120.3° | 122.6° |
| C07 | C06 | C13 | C12 | 128.8° | 75.1° |
| C07 | C06 | C05 | H5 | 125.0° | 133.1° |
| C07 | C06 | C05 | H3 | 14.1° | 93.9° |
| C07 | C06 | C05 | H4 | 135.1° | 28.6° |
| C06 | C07 | H6 | H7 | 123.7° | 122.0° |
| C06 | C07 | C08 | H8 | 161.2° | 111.4° |
| N04 | C14 | C13 | H13 | 119.7° | 119.4° |
| N04 | C14 | C13 | H14 | 119.7° | 119.3° |
| N04 | C14 | C13 | C06 | 9.9° | 29.0° |
| N04 | C14 | C13 | C12 | 111.7° | 136.0° |
| C14 | N04 | C05 | C06 | 2.7° | 25.8° |
| C14 | N04 | C05 | H3 | 122.2° | 144.4° |
| C14 | N04 | C05 | H4 | 116.8° | 92.9° |
| N04 | C14 | H13 | H14 | 121.0° | 121.3° |
| C13 | C14 | N04 | C05 | 4.2° | 3.0° |
| C14 | C13 | C06 | C12 | 122.7° | 124.9° |
| C14 | C13 | C06 | C05 | 11.4° | 43.1° |
| C14 | C13 | C12 | N11 | 176.2° | 119.0° |
| C14 | C13 | C06 | H5 | 131.3° | 77.4° |
| C14 | C13 | C12 | H11 | 54.6° | 121.0° |
| C14 | C13 | C12 | H12 | 62.2° | 1.0° |
| C13 | C14 | H13 | H14 | 120.9° | 121.4° |
| F17 | C16 | F18 | F19 | 120.9° | 120.0° |
| N04 | C05 | C06 | C13 | 8.8° | 41.6° |
| N04 | C05 | C06 | H3 | 119.5° | 118.6° |
| N04 | C05 | C06 | H4 | 119.5° | 118.9° |
| N04 | C05 | H3 | H4 | 121.4° | 122.9° |
| N04 | C05 | C06 | H5 | 129.6° | 79.4° |
| C05 | N04 | C14 | H13 | 123.8° | 122.3° |
| C05 | N04 | C14 | H14 | 115.5° | 116.3° |
| C13 | C06 | C05 | H5 | 120.8° | 121.0° |
| C06 | C13 | C12 | N11 | 55.4° | 131.7° |
| C13 | C06 | C05 | H3 | 128.3° | 160.2° |
| C13 | C06 | C05 | H4 | 110.7° | 77.3° |
| C13 | C06 | C07 | H6 | 147.9° | 148.1° |
| C13 | C06 | C07 | H7 | 89.5° | 89.9° |
| C06 | C13 | C12 | H11 | 66.2° | 11.7° |
| C06 | C13 | C12 | H12 | 177.0° | 108.3° |
| C06 | C13 | C14 | H13 | 129.6° | 148.4° |
| C06 | C13 | C14 | H14 | 109.7° | 90.3° |
| C12 | C13 | C06 | C05 | 111.4° | 168.0° |
| C13 | C12 | N11 | C10 | 46.0° | 88.4° |
| C13 | C12 | N11 | H11 | 121.6° | 120.0° |
| C13 | C12 | N11 | H12 | 121.6° | 120.0° |
| C12 | C13 | C06 | H5 | 8.5° | 47.6° |
| C13 | C12 | H11 | H12 | 114.7° | 120.0° |
| C12 | C13 | C14 | H13 | 8.0° | 104.6° |
| C12 | C13 | C14 | H14 | 128.6° | 16.8° |
| C13 | C12 | N11 | H15 | 166.3° | 32.5° |
| C09 | C10 | N11 | H1 | 121.6° | 121.9° |
| C09 | C10 | N11 | H2 | 121.6° | 121.8° |
| C09 | C10 | N11 | C12 | 67.3° | 86.8° |
| C09 | C10 | H1 | H2 | 114.8° | 116.4° |
| C10 | C09 | C08 | H8 | 130.3° | 171.9° |
| C10 | C09 | H9 | H10 | 115.4° | 120.6° |
| C09 | C10 | N11 | H15 | 172.5° | 34.0° |
| C06 | C05 | H3 | H4 | 121.4° | 122.6° |
| C05 | C06 | C07 | H6 | 96.8° | 43.6° |
| C05 | C06 | C07 | H7 | 25.8° | 165.6° |
| C10 | N11 | C12 | H15 | 120.2° | 120.8° |
| N11 | C10 | H1 | H2 | 114.9° | 116.5° |
| N11 | C10 | C09 | H9 | 175.0° | 177.9° |
| N11 | C10 | C09 | H10 | 57.9° | 57.3° |
| C10 | N11 | C12 | H11 | 167.7° | 31.7° |
| C10 | N11 | C12 | H12 | 75.6° | 151.6° |
| C12 | N11 | C10 | H1 | 54.3° | 151.3° |
| C12 | N11 | C10 | H2 | 171.1° | 34.9° |
| N11 | C12 | H11 | H12 | 114.7° | 120.0° |
| H1 | C10 | C09 | H9 | 63.4° | 55.9° |
| H1 | C10 | C09 | H10 | 179.5° | 64.7° |
| H1 | C10 | N11 | H15 | 65.9° | 87.9° |
| H2 | C10 | C09 | H9 | 53.4° | 60.3° |
| H2 | C10 | C09 | H10 | 63.7° | 179.1° |
| H2 | C10 | N11 | H15 | 50.9° | 155.8° |
| H3 | C05 | C06 | H5 | 110.9° | 39.2° |
| H4 | C05 | C06 | H5 | 10.1° | 161.7° |
| H5 | C06 | C07 | H6 | 27.5° | 89.2° |
| H5 | C06 | C07 | H7 | 150.1° | 32.8° |
| H6 | C07 | C08 | H8 | 80.1° | 7.5° |
| H7 | C07 | C08 | H8 | 42.4° | 129.6° |
| H8 | C08 | C09 | H9 | 8.9° | 52.1° |
| H8 | C08 | C09 | H10 | 108.2° | 68.4° |
| H11 | C12 | N11 | H15 | 72.1° | 152.5° |
| H12 | C12 | N11 | H15 | 44.7° | 87.5° |
