RGD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | C08 | sing | 1.55Å | 1.52Å | |
| C09 | C10 | sing | 1.55Å | 1.36Å | |
| C08 | C07 | sing | 1.54Å | 1.54Å | |
| C08 | C04 | sing | 1.55Å | 1.57Å | |
| C07 | N06 | sing | 1.50Å | 1.38Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| C11 | O12 | sing | 1.43Å | 1.43Å | |
| C10 | O13 | sing | 1.44Å | 1.62Å | |
| O15 | C14 | doub | 1.21Å | 1.21Å | |
| N06 | C14 | sing | 1.35Å | 1.48Å | |
| N06 | C05 | sing | 1.48Å | 1.61Å | |
| C04 | C03 | sing | 1.53Å | 1.56Å | |
| C04 | O13 | sing | 1.44Å | 1.32Å | |
| C04 | C05 | sing | 1.54Å | 1.36Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C14 | C16 | sing | 1.51Å | 1.55Å | |
| C02 | O01 | sing | 1.43Å | 1.41Å | |
| C16 | C19 | sing | 1.54Å | 1.53Å | |
| C16 | C17 | sing | 1.54Å | 1.53Å | |
| C19 | C18 | sing | 1.54Å | 1.52Å | |
| C17 | C18 | sing | 1.54Å | 1.53Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | 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 | |
| O12 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C09 | C10 | 103.8° | 102.3° |
| C09 | C08 | C07 | 112.1° | 109.2° |
| C09 | C08 | C04 | 104.9° | 104.0° |
| C09 | C08 | H12 | 111.7° | 112.6° |
| C08 | C09 | H13 | 110.9° | 110.8° |
| C08 | C09 | H14 | 110.9° | 110.9° |
| C09 | C10 | C11 | 112.2° | 110.7° |
| C09 | C10 | O13 | 105.1° | 103.5° |
| C09 | C10 | H1 | 111.2° | 110.6° |
| C10 | C09 | H13 | 110.9° | 110.8° |
| C10 | C09 | H14 | 110.9° | 110.8° |
| C07 | C08 | C04 | 105.3° | 104.7° |
| C08 | C07 | N06 | 107.0° | 104.5° |
| C08 | C07 | H10 | 110.1° | 110.6° |
| C08 | C07 | H11 | 110.1° | 110.6° |
| C07 | C08 | H12 | 111.4° | 112.8° |
| C08 | C04 | C03 | 109.9° | 111.7° |
| C08 | C04 | O13 | 104.5° | 107.1° |
| C08 | C04 | C05 | 105.6° | 105.6° |
| C04 | C08 | H12 | 111.0° | 113.0° |
| C07 | N06 | C14 | 123.9° | 127.8° |
| C07 | N06 | C05 | 108.0° | 104.3° |
| N06 | C07 | H10 | 110.1° | 110.4° |
| N06 | C07 | H11 | 110.1° | 110.4° |
| C10 | C11 | O12 | 110.2° | 109.5° |
| C11 | C10 | O13 | 111.5° | 110.6° |
| C11 | C10 | H1 | 109.1° | 110.5° |
| C10 | C11 | H15 | 109.3° | 109.5° |
| C10 | C11 | H16 | 109.3° | 109.5° |
| O12 | C11 | H15 | 109.3° | 109.5° |
| O12 | C11 | H16 | 109.3° | 109.5° |
| C11 | O12 | H23 | 109.5° | 114.0° |
| C10 | O13 | C04 | 109.7° | 107.0° |
| O13 | C10 | H1 | 107.7° | 110.7° |
| O15 | C14 | N06 | 120.1° | 120.0° |
| O15 | C14 | C16 | 122.5° | 120.0° |
| C14 | N06 | C05 | 128.1° | 127.9° |
| N06 | C14 | C16 | 117.4° | 120.0° |
| N06 | C05 | C04 | 106.3° | 104.8° |
| N06 | C05 | H8 | 110.3° | 110.3° |
| N06 | C05 | H9 | 110.3° | 110.5° |
| C03 | C04 | O13 | 112.7° | 111.5° |
| C03 | C04 | C05 | 111.7° | 111.5° |
| C04 | C03 | C02 | 112.8° | 109.5° |
| C04 | C03 | H6 | 108.6° | 109.4° |
| C04 | C03 | H7 | 108.6° | 109.5° |
| O13 | C04 | C05 | 112.0° | 109.2° |
| C04 | C05 | H8 | 110.3° | 110.4° |
| C04 | C05 | H9 | 110.2° | 110.4° |
| C03 | C02 | O01 | 109.6° | 109.5° |
| C03 | C02 | H4 | 109.4° | 109.4° |
| C03 | C02 | H5 | 109.4° | 109.5° |
| C02 | C03 | H6 | 108.6° | 109.5° |
| C02 | C03 | H7 | 108.6° | 109.5° |
| C14 | C16 | C19 | 113.8° | 113.6° |
| C14 | C16 | C17 | 112.8° | 113.6° |
| C14 | C16 | H17 | 112.8° | 112.9° |
| O01 | C02 | H4 | 109.4° | 109.5° |
| O01 | C02 | H5 | 109.4° | 109.5° |
| C02 | O01 | H22 | 109.5° | 114.0° |
| C19 | C16 | C17 | 89.3° | 87.0° |
| C16 | C19 | C18 | 87.8° | 87.1° |
| C19 | C16 | H17 | 113.1° | 113.6° |
| C16 | C19 | H20 | 114.6° | 113.6° |
| C16 | C19 | H21 | 114.6° | 113.7° |
| C16 | C17 | C18 | 87.3° | 87.1° |
| C16 | C17 | H2 | 114.7° | 113.7° |
| C16 | C17 | H3 | 114.7° | 113.7° |
| C17 | C16 | H17 | 113.1° | 113.7° |
| C19 | C18 | C17 | 89.2° | 87.0° |
| C19 | C18 | H18 | 114.3° | 113.6° |
| C19 | C18 | H19 | 114.3° | 113.7° |
| C18 | C19 | H20 | 114.6° | 113.6° |
| C18 | C19 | H21 | 114.6° | 113.6° |
| C18 | C17 | H2 | 114.7° | 113.6° |
| C18 | C17 | H3 | 114.7° | 113.6° |
| C17 | C18 | H18 | 114.3° | 113.6° |
| C17 | C18 | H19 | 114.3° | 113.6° |
| H2 | C17 | H3 | 109.5° | 112.8° |
| H4 | C02 | H5 | 109.5° | 109.5° |
| H6 | C03 | H7 | 109.4° | 109.4° |
| H8 | C05 | H9 | 109.5° | 110.4° |
| H10 | C07 | H11 | 109.5° | 110.3° |
| H13 | C09 | H14 | 109.4° | 110.9° |
| H15 | C11 | H16 | 109.5° | 109.5° |
| 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) |
| C08 | C09 | C10 | H13 | 119.1° | 118.2° |
| C08 | C09 | C10 | H14 | 119.1° | 118.2° |
| C09 | C08 | C07 | C04 | 113.5° | 110.8° |
| C09 | C08 | C07 | H12 | 126.1° | 125.9° |
| C09 | C08 | C04 | H12 | 120.8° | 122.4° |
| C09 | C08 | C07 | N06 | 123.4° | 86.6° |
| C08 | C09 | C10 | C11 | 151.8° | 155.7° |
| C08 | C09 | C10 | O13 | 30.5° | 37.1° |
| C09 | C08 | C04 | C03 | 96.1° | 124.9° |
| C09 | C08 | C04 | O13 | 25.0° | 2.6° |
| C09 | C08 | C04 | C05 | 143.2° | 113.7° |
| C08 | C09 | C10 | H1 | 85.7° | 81.4° |
| C09 | C08 | C07 | H10 | 117.0° | 154.6° |
| C09 | C08 | C07 | H11 | 3.8° | 32.1° |
| C08 | C09 | H13 | H14 | 122.6° | 123.6° |
| C10 | C09 | C08 | C07 | 78.4° | 90.7° |
| C10 | C09 | C08 | C04 | 35.4° | 20.6° |
| C09 | C10 | C11 | O13 | 117.5° | 114.1° |
| C09 | C10 | C11 | H1 | 123.7° | 122.9° |
| C09 | C10 | C11 | O12 | 169.7° | 179.4° |
| C09 | C10 | O13 | H1 | 118.7° | 118.5° |
| C09 | C10 | O13 | C04 | 15.9° | 40.5° |
| C10 | C09 | C08 | H12 | 155.7° | 143.2° |
| C10 | C09 | H13 | H14 | 122.6° | 123.6° |
| C09 | C10 | C11 | H15 | 49.6° | 59.4° |
| C09 | C10 | C11 | H16 | 70.1° | 60.6° |
| C07 | C08 | C04 | H12 | 120.7° | 123.1° |
| C08 | C07 | N06 | H10 | 119.6° | 118.9° |
| C08 | C07 | N06 | H11 | 119.6° | 118.9° |
| C08 | C07 | N06 | C14 | 174.4° | 140.0° |
| C08 | C07 | N06 | C05 | 6.2° | 39.5° |
| C07 | C08 | C04 | C03 | 145.4° | 120.5° |
| C07 | C08 | C04 | O13 | 93.5° | 117.1° |
| C07 | C08 | C04 | C05 | 24.8° | 0.9° |
| C08 | C07 | H10 | H11 | 121.1° | 122.6° |
| C07 | C08 | C09 | H13 | 40.8° | 151.1° |
| C07 | C08 | C09 | H14 | 162.5° | 27.5° |
| C04 | C08 | C07 | N06 | 9.9° | 24.2° |
| C08 | C04 | O13 | C10 | 6.6° | 27.1° |
| C08 | C04 | C05 | N06 | 28.0° | 23.2° |
| C08 | C04 | C03 | O13 | 116.1° | 119.8° |
| C08 | C04 | C03 | C05 | 116.8° | 117.9° |
| C08 | C04 | O13 | C05 | 113.8° | 113.8° |
| C08 | C04 | C03 | C02 | 170.0° | 179.3° |
| C08 | C04 | C03 | H6 | 49.5° | 59.2° |
| C08 | C04 | C03 | H7 | 69.5° | 60.7° |
| C08 | C04 | C05 | H8 | 91.5° | 142.0° |
| C08 | C04 | C05 | H9 | 147.5° | 95.7° |
| C04 | C08 | C07 | H10 | 129.5° | 94.6° |
| C04 | C08 | C07 | H11 | 109.7° | 143.0° |
| C04 | C08 | C09 | H13 | 154.5° | 97.6° |
| C04 | C08 | C09 | H14 | 83.7° | 138.8° |
| C07 | N06 | C14 | O15 | 0.7° | 180.0° |
| C07 | N06 | C14 | C05 | 179.3° | 179.4° |
| C07 | N06 | C05 | C04 | 22.9° | 38.9° |
| C07 | N06 | C14 | C16 | 178.9° | 0.0° |
| C07 | N06 | C05 | H8 | 96.6° | 157.7° |
| C07 | N06 | C05 | H9 | 142.4° | 80.0° |
| N06 | C07 | H10 | H11 | 121.1° | 122.3° |
| N06 | C07 | C08 | H12 | 110.5° | 147.4° |
| C10 | C11 | O12 | H15 | 120.1° | 120.0° |
| C10 | C11 | O12 | H16 | 120.1° | 120.0° |
| C11 | C10 | O13 | H1 | 119.6° | 122.8° |
| C11 | C10 | O13 | C04 | 137.6° | 159.2° |
| C11 | C10 | C09 | H13 | 89.0° | 37.5° |
| C11 | C10 | C09 | H14 | 32.7° | 86.1° |
| C10 | C11 | H15 | H16 | 119.7° | 120.0° |
| C10 | C11 | O12 | H23 | 180.0° | 180.0° |
| O12 | C11 | C10 | O13 | 72.7° | 66.4° |
| O12 | C11 | C10 | H1 | 46.1° | 56.5° |
| O12 | C11 | H15 | H16 | 119.7° | 120.0° |
| C10 | O13 | C04 | C03 | 112.7° | 149.6° |
| C10 | O13 | C04 | C05 | 120.4° | 86.7° |
| O13 | C10 | C09 | H13 | 149.7° | 81.0° |
| O13 | C10 | C09 | H14 | 88.6° | 155.4° |
| O13 | C10 | C11 | H15 | 167.2° | 173.6° |
| O13 | C10 | C11 | H16 | 47.4° | 53.5° |
| O15 | C14 | N06 | C16 | 179.6° | 180.0° |
| O15 | C14 | N06 | C05 | 180.0° | 0.6° |
| O15 | C14 | C16 | C19 | 8.6° | 0.0° |
| O15 | C14 | C16 | C17 | 108.4° | 97.5° |
| O15 | C14 | C16 | H17 | 122.0° | 131.2° |
| C14 | N06 | C05 | C04 | 157.7° | 140.6° |
| N06 | C14 | C16 | C19 | 171.8° | 179.9° |
| N06 | C14 | C16 | C17 | 72.0° | 82.5° |
| C14 | N06 | C05 | H8 | 82.8° | 21.8° |
| C14 | N06 | C05 | H9 | 38.2° | 100.5° |
| C14 | N06 | C07 | H10 | 66.0° | 101.1° |
| C14 | N06 | C07 | H11 | 54.8° | 21.1° |
| N06 | C14 | C16 | H17 | 57.6° | 48.8° |
| N06 | C05 | C04 | C03 | 147.4° | 144.7° |
| N06 | C05 | C04 | O13 | 85.2° | 91.6° |
| N06 | C05 | C04 | H8 | 119.5° | 118.8° |
| N06 | C05 | C04 | H9 | 119.5° | 118.9° |
| C05 | N06 | C14 | C16 | 0.4° | 179.4° |
| N06 | C05 | H8 | H9 | 121.5° | 122.4° |
| C05 | N06 | C07 | H10 | 113.4° | 79.4° |
| C05 | N06 | C07 | H11 | 125.8° | 158.4° |
| C03 | C04 | O13 | C05 | 127.0° | 123.7° |
| C04 | C03 | C02 | H6 | 120.5° | 120.0° |
| C04 | C03 | C02 | H7 | 120.5° | 120.0° |
| C04 | C03 | C02 | O01 | 68.0° | 180.0° |
| C04 | C03 | C02 | H4 | 52.1° | 60.0° |
| C04 | C03 | C02 | H5 | 172.0° | 60.0° |
| C04 | C03 | H6 | H7 | 118.5° | 119.9° |
| C03 | C04 | C05 | H8 | 27.9° | 96.6° |
| C03 | C04 | C05 | H9 | 93.1° | 25.7° |
| C03 | C04 | C08 | H12 | 24.7° | 2.5° |
| O13 | C04 | C03 | C02 | 54.0° | 61.0° |
| C04 | O13 | C10 | H1 | 102.8° | 78.0° |
| O13 | C04 | C03 | H6 | 66.5° | 179.0° |
| O13 | C04 | C03 | H7 | 174.5° | 59.1° |
| O13 | C04 | C05 | H8 | 155.4° | 27.1° |
| O13 | C04 | C05 | H9 | 34.4° | 149.4° |
| O13 | C04 | C08 | H12 | 145.8° | 119.8° |
| C05 | C04 | C03 | C02 | 73.2° | 61.4° |
| C05 | C04 | C03 | H6 | 166.3° | 58.6° |
| C05 | C04 | C03 | H7 | 47.4° | 178.6° |
| C04 | C05 | H8 | H9 | 121.5° | 122.3° |
| C05 | C04 | C08 | H12 | 95.9° | 123.9° |
| C03 | C02 | O01 | H4 | 120.0° | 120.0° |
| C03 | C02 | O01 | H5 | 120.0° | 120.0° |
| C03 | C02 | H4 | H5 | 119.9° | 120.0° |
| C02 | C03 | H6 | H7 | 118.5° | 120.0° |
| C03 | C02 | O01 | H22 | 180.0° | 180.0° |
| C14 | C16 | C19 | C17 | 114.7° | 114.5° |
| C14 | C16 | C19 | H17 | 130.4° | 130.9° |
| C14 | C16 | C17 | H17 | 129.4° | 131.0° |
| C14 | C16 | C19 | C18 | 133.8° | 140.0° |
| C14 | C16 | C17 | C18 | 134.5° | 139.9° |
| C14 | C16 | C17 | H2 | 18.5° | 25.4° |
| C14 | C16 | C17 | H3 | 109.5° | 105.5° |
| C14 | C16 | C19 | H20 | 110.1° | 105.5° |
| C14 | C16 | C19 | H21 | 17.6° | 25.4° |
| O01 | C02 | H4 | H5 | 119.9° | 120.0° |
| O01 | C02 | C03 | H6 | 171.5° | 60.0° |
| O01 | C02 | C03 | H7 | 52.5° | 60.0° |
| C19 | C16 | C17 | H17 | 114.9° | 114.6° |
| C16 | C19 | C18 | H20 | 116.1° | 114.5° |
| C16 | C19 | C18 | H21 | 116.1° | 114.6° |
| C19 | C16 | C17 | C18 | 18.9° | 25.5° |
| C19 | C16 | C17 | H2 | 97.1° | 89.1° |
| C19 | C16 | C17 | H3 | 134.9° | 140.1° |
| C16 | C19 | C18 | H18 | 97.4° | 140.0° |
| C16 | C19 | C18 | H19 | 135.4° | 89.0° |
| C16 | C19 | H20 | H21 | 130.3° | 131.3° |
| C16 | C17 | C18 | H2 | 116.0° | 114.6° |
| C16 | C17 | C18 | H3 | 116.0° | 114.6° |
| C16 | C17 | H2 | H3 | 130.6° | 131.3° |
| C16 | C17 | C18 | H18 | 97.5° | 140.0° |
| C16 | C17 | C18 | H19 | 135.4° | 89.1° |
| C17 | C16 | C19 | H20 | 135.2° | 140.0° |
| C17 | C16 | C19 | H21 | 97.1° | 89.1° |
| C19 | C18 | C17 | H18 | 116.4° | 114.5° |
| C19 | C18 | C17 | H19 | 116.4° | 114.6° |
| C19 | C18 | C17 | H2 | 97.1° | 89.1° |
| C19 | C18 | C17 | H3 | 134.9° | 140.1° |
| C18 | C19 | C16 | H17 | 95.9° | 89.2° |
| C19 | C18 | H18 | H19 | 129.6° | 131.3° |
| C18 | C19 | H20 | H21 | 130.3° | 131.3° |
| C18 | C17 | H2 | H3 | 130.6° | 131.2° |
| C18 | C17 | C16 | H17 | 96.1° | 89.1° |
| C17 | C18 | H18 | H19 | 129.6° | 131.2° |
| C17 | C18 | C19 | H20 | 135.1° | 139.9° |
| C17 | C18 | C19 | H21 | 97.2° | 89.2° |
| H1 | C10 | C09 | H13 | 33.4° | 160.4° |
| H1 | C10 | C09 | H14 | 155.2° | 36.8° |
| H1 | C10 | C11 | H15 | 74.0° | 63.5° |
| H1 | C10 | C11 | H16 | 166.2° | 176.5° |
| H2 | C17 | C16 | H17 | 147.9° | 156.3° |
| H2 | C17 | C18 | H18 | 146.5° | 25.4° |
| H2 | C17 | C18 | H19 | 19.3° | 156.3° |
| H3 | C17 | C16 | H17 | 19.9° | 25.5° |
| H3 | C17 | C18 | H18 | 18.5° | 105.4° |
| H3 | C17 | C18 | H19 | 108.7° | 25.5° |
| H4 | C02 | C03 | H6 | 68.4° | 60.0° |
| H4 | C02 | C03 | H7 | 172.6° | 180.0° |
| H4 | C02 | O01 | H22 | 60.0° | 60.1° |
| H5 | C02 | C03 | H6 | 51.5° | 180.0° |
| H5 | C02 | C03 | H7 | 67.5° | 60.0° |
| H5 | C02 | O01 | H22 | 60.0° | 60.0° |
| H10 | C07 | C08 | H12 | 9.1° | 28.7° |
| H11 | C07 | C08 | H12 | 129.9° | 93.8° |
| H12 | C08 | C09 | H13 | 85.2° | 25.1° |
| H12 | C08 | C09 | H14 | 36.6° | 98.6° |
| H15 | C11 | O12 | H23 | 59.9° | 60.0° |
| H16 | C11 | O12 | H23 | 59.9° | 60.0° |
| H17 | C16 | C19 | H20 | 20.3° | 25.4° |
| H17 | C16 | C19 | H21 | 148.0° | 156.3° |
| H18 | C18 | C19 | H20 | 18.7° | 105.5° |
| H18 | C18 | C19 | H21 | 146.4° | 25.4° |
| H19 | C18 | C19 | H20 | 108.5° | 25.4° |
| H19 | C18 | C19 | H21 | 19.2° | 156.3° |
