S9G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O16 | C15 | sing | 1.45Å | 1.53Å | |
| O16 | C12 | sing | 1.44Å | 1.30Å | |
| C15 | C14 | sing | 1.55Å | 1.55Å | |
| C12 | C10 | sing | 1.51Å | 1.52Å | |
| C12 | C13 | sing | 1.54Å | 1.63Å | |
| C08 | N09 | sing | 1.47Å | 1.46Å | |
| C08 | C07 | sing | 1.53Å | 1.54Å | |
| C10 | N09 | sing | 1.35Å | 1.45Å | |
| C10 | O11 | doub | 1.21Å | 1.18Å | |
| N09 | C17 | sing | 1.47Å | 1.45Å | |
| C14 | C13 | sing | 1.55Å | 1.29Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C07 | N06 | sing | 1.47Å | 1.46Å | |
| C03 | C02 | sing | 1.51Å | 1.54Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C03 | C05 | sing | 1.53Å | 1.53Å | |
| N06 | C02 | sing | 1.35Å | 1.46Å | |
| N06 | C18 | sing | 1.47Å | 1.46Å | |
| C02 | O01 | doub | 1.21Å | 1.19Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | O16 | C12 | 101.9° | 106.9° |
| O16 | C15 | C14 | 101.1° | 103.5° |
| O16 | C15 | H3 | 111.5° | 110.7° |
| O16 | C15 | H4 | 111.5° | 110.6° |
| O16 | C12 | C10 | 113.0° | 109.9° |
| O16 | C12 | C13 | 106.8° | 107.3° |
| O16 | C12 | H16 | 112.6° | 110.0° |
| C15 | C14 | C13 | 103.4° | 102.1° |
| C14 | C15 | H3 | 111.5° | 110.7° |
| C14 | C15 | H4 | 111.5° | 110.6° |
| C15 | C14 | H17 | 111.0° | 110.9° |
| C15 | C14 | H18 | 111.0° | 110.9° |
| C10 | C12 | C13 | 106.8° | 109.9° |
| C12 | C10 | N09 | 121.2° | 120.0° |
| C12 | C10 | O11 | 118.8° | 120.0° |
| C10 | C12 | H16 | 109.3° | 109.8° |
| C12 | C13 | C14 | 106.8° | 104.4° |
| C12 | C13 | H1 | 110.1° | 110.5° |
| C12 | C13 | H2 | 110.1° | 110.5° |
| C13 | C12 | H16 | 108.0° | 109.9° |
| N09 | C08 | C07 | 117.0° | 108.6° |
| C08 | N09 | C10 | 125.3° | 120.6° |
| C08 | N09 | C17 | 111.1° | 118.8° |
| N09 | C08 | H14 | 107.6° | 109.7° |
| N09 | C08 | H15 | 107.5° | 109.6° |
| C08 | C07 | N06 | 118.2° | 108.6° |
| C08 | C07 | H12 | 107.2° | 109.6° |
| C08 | C07 | H13 | 107.3° | 109.8° |
| C07 | C08 | H14 | 107.5° | 109.6° |
| C07 | C08 | H15 | 107.6° | 109.6° |
| N09 | C10 | O11 | 119.9° | 120.0° |
| C10 | N09 | C17 | 123.6° | 120.6° |
| N09 | C17 | C18 | 109.8° | 108.6° |
| N09 | C17 | H5 | 109.4° | 109.7° |
| N09 | C17 | H6 | 109.4° | 109.8° |
| C14 | C13 | H1 | 110.1° | 110.5° |
| C14 | C13 | H2 | 110.1° | 110.5° |
| C13 | C14 | H17 | 111.0° | 110.8° |
| C13 | C14 | H18 | 111.0° | 111.1° |
| C17 | C18 | N06 | 111.1° | 108.6° |
| C18 | C17 | H5 | 109.4° | 109.6° |
| C18 | C17 | H6 | 109.4° | 109.5° |
| C17 | C18 | H19 | 109.1° | 109.6° |
| C17 | C18 | H20 | 109.1° | 109.7° |
| C07 | N06 | C02 | 123.8° | 120.6° |
| C07 | N06 | C18 | 111.7° | 118.8° |
| N06 | C07 | H12 | 107.2° | 109.6° |
| N06 | C07 | H13 | 107.2° | 109.6° |
| C02 | C03 | C04 | 115.6° | 117.5° |
| C02 | C03 | C05 | 117.1° | 117.5° |
| C03 | C02 | N06 | 120.7° | 120.0° |
| C03 | C02 | O01 | 120.0° | 120.0° |
| C02 | C03 | H7 | 117.2° | 115.6° |
| C04 | C03 | C05 | 59.9° | 60.0° |
| C03 | C04 | C05 | 60.1° | 60.0° |
| C04 | C03 | H7 | 117.4° | 117.4° |
| C03 | C04 | H8 | 120.0° | 117.6° |
| C03 | C04 | H9 | 120.0° | 117.4° |
| C03 | C05 | C04 | 59.9° | 60.0° |
| C05 | C03 | H7 | 117.3° | 117.5° |
| C03 | C05 | H10 | 120.0° | 117.5° |
| C03 | C05 | H11 | 120.0° | 117.5° |
| C02 | N06 | C18 | 124.5° | 120.5° |
| N06 | C02 | O01 | 119.3° | 120.0° |
| N06 | C18 | H19 | 109.1° | 109.6° |
| N06 | C18 | H20 | 109.1° | 109.8° |
| C05 | C04 | H8 | 120.0° | 117.5° |
| C05 | C04 | H9 | 120.0° | 117.5° |
| C04 | C05 | H10 | 120.0° | 117.5° |
| C04 | C05 | H11 | 120.0° | 117.5° |
| H1 | C13 | H2 | 109.5° | 110.4° |
| H3 | C15 | H4 | 109.5° | 110.5° |
| H5 | C17 | H6 | 109.5° | 109.6° |
| H8 | C04 | H9 | 109.5° | 115.5° |
| H10 | C05 | H11 | 109.5° | 115.6° |
| H12 | C07 | H13 | 109.5° | 109.6° |
| H14 | C08 | H15 | 109.5° | 109.8° |
| H17 | C14 | H18 | 109.4° | 110.8° |
| H19 | C18 | H20 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O16 | C15 | C14 | H3 | 118.6° | 118.7° |
| O16 | C15 | C14 | H4 | 118.6° | 118.5° |
| C15 | O16 | C12 | C10 | 147.1° | 145.9° |
| C15 | O16 | C12 | C13 | 29.9° | 26.5° |
| O16 | C15 | C14 | C13 | 40.9° | 36.9° |
| O16 | C15 | H3 | H4 | 123.9° | 122.9° |
| C15 | O16 | C12 | H16 | 88.5° | 93.0° |
| O16 | C15 | C14 | H17 | 160.0° | 81.2° |
| O16 | C15 | C14 | H18 | 78.1° | 155.2° |
| C12 | O16 | C15 | C14 | 43.4° | 39.9° |
| O16 | C12 | C10 | C13 | 117.1° | 117.8° |
| O16 | C12 | C10 | H16 | 126.3° | 121.2° |
| O16 | C12 | C13 | H16 | 121.3° | 119.6° |
| O16 | C12 | C10 | N09 | 141.1° | 177.2° |
| O16 | C12 | C10 | O11 | 41.0° | 3.2° |
| O16 | C12 | C13 | C14 | 4.5° | 2.1° |
| O16 | C12 | C13 | H1 | 115.1° | 116.6° |
| O16 | C12 | C13 | H2 | 124.1° | 120.9° |
| C12 | O16 | C15 | H3 | 75.2° | 158.6° |
| C12 | O16 | C15 | H4 | 162.0° | 78.6° |
| C15 | C14 | C13 | C12 | 23.1° | 20.8° |
| C15 | C14 | C13 | H17 | 119.1° | 118.1° |
| C15 | C14 | C13 | H18 | 119.0° | 118.3° |
| C15 | C14 | C13 | H1 | 142.7° | 139.5° |
| C15 | C14 | C13 | H2 | 96.5° | 98.0° |
| C14 | C15 | H3 | H4 | 123.9° | 122.8° |
| C15 | C14 | H17 | H18 | 122.8° | 123.7° |
| C10 | C12 | C13 | H16 | 117.4° | 121.0° |
| C12 | C10 | N09 | C08 | 1.4° | 179.7° |
| C12 | C10 | N09 | O11 | 177.9° | 179.7° |
| C12 | C10 | N09 | C17 | 179.6° | 0.2° |
| C10 | C12 | C13 | C14 | 125.7° | 121.6° |
| C10 | C12 | C13 | H1 | 6.1° | 2.8° |
| C10 | C12 | C13 | H2 | 114.7° | 119.7° |
| C13 | C12 | C10 | N09 | 101.8° | 65.0° |
| C13 | C12 | C10 | O11 | 76.1° | 114.7° |
| C12 | C13 | C14 | H1 | 119.6° | 118.8° |
| C12 | C13 | C14 | H2 | 119.6° | 118.8° |
| C12 | C13 | H1 | H2 | 121.2° | 122.5° |
| C12 | C13 | C14 | H17 | 142.1° | 97.3° |
| C12 | C13 | C14 | H18 | 96.0° | 139.1° |
| N09 | C08 | C07 | H14 | 121.1° | 119.8° |
| N09 | C08 | C07 | H15 | 121.1° | 119.7° |
| C08 | N09 | C10 | C17 | 179.0° | 179.9° |
| C08 | N09 | C10 | O11 | 179.3° | 0.0° |
| C08 | N09 | C17 | C18 | 57.5° | 55.3° |
| N09 | C08 | C07 | N06 | 26.4° | 49.4° |
| C08 | N09 | C17 | H5 | 177.5° | 64.5° |
| C08 | N09 | C17 | H6 | 62.6° | 175.1° |
| N09 | C08 | C07 | H12 | 147.6° | 169.1° |
| N09 | C08 | C07 | H13 | 94.9° | 70.4° |
| N09 | C08 | H14 | H15 | 116.5° | 120.5° |
| C07 | C08 | N09 | C10 | 142.8° | 124.8° |
| C07 | C08 | N09 | C17 | 38.1° | 55.3° |
| C08 | C07 | N06 | H12 | 121.2° | 119.7° |
| C08 | C07 | N06 | H13 | 121.3° | 119.9° |
| C08 | C07 | N06 | C02 | 148.0° | 124.7° |
| C08 | C07 | N06 | C18 | 33.2° | 55.2° |
| C08 | C07 | H12 | H13 | 116.1° | 120.5° |
| C07 | C08 | H14 | H15 | 116.6° | 120.4° |
| C10 | N09 | C17 | C18 | 123.4° | 124.8° |
| C10 | N09 | C17 | H5 | 3.4° | 115.4° |
| C10 | N09 | C17 | H6 | 116.6° | 5.0° |
| C10 | N09 | C08 | H14 | 96.1° | 5.1° |
| C10 | N09 | C08 | H15 | 21.7° | 115.5° |
| N09 | C10 | C12 | H16 | 14.8° | 56.0° |
| O11 | C10 | N09 | C17 | 1.7° | 179.9° |
| O11 | C10 | C12 | H16 | 167.3° | 124.3° |
| N09 | C17 | C18 | H5 | 120.0° | 119.8° |
| N09 | C17 | C18 | H6 | 120.0° | 119.9° |
| N09 | C17 | C18 | N06 | 67.2° | 49.4° |
| N09 | C17 | H5 | H6 | 119.9° | 120.6° |
| C17 | N09 | C08 | H14 | 83.0° | 175.0° |
| C17 | N09 | C08 | H15 | 159.2° | 64.4° |
| N09 | C17 | C18 | H19 | 53.1° | 70.3° |
| N09 | C17 | C18 | H20 | 172.6° | 169.3° |
| C14 | C13 | H1 | H2 | 121.2° | 122.5° |
| C13 | C14 | C15 | H3 | 77.7° | 155.6° |
| C13 | C14 | C15 | H4 | 159.6° | 81.7° |
| C14 | C13 | C12 | H16 | 116.8° | 117.5° |
| C13 | C14 | H17 | H18 | 122.8° | 123.8° |
| C17 | C18 | N06 | C07 | 52.7° | 55.2° |
| C17 | C18 | N06 | C02 | 128.6° | 124.8° |
| C17 | C18 | N06 | H19 | 120.3° | 119.7° |
| C17 | C18 | N06 | H20 | 120.3° | 119.9° |
| C18 | C17 | H5 | H6 | 119.9° | 120.2° |
| C17 | C18 | H19 | H20 | 119.3° | 120.4° |
| C07 | N06 | C02 | C03 | 1.2° | 180.0° |
| C07 | N06 | C02 | C18 | 178.6° | 179.9° |
| C07 | N06 | C02 | O01 | 179.5° | 0.0° |
| N06 | C07 | H12 | H13 | 116.0° | 120.3° |
| N06 | C07 | C08 | H14 | 94.8° | 169.2° |
| N06 | C07 | C08 | H15 | 147.4° | 70.3° |
| C07 | N06 | C18 | H19 | 67.6° | 64.6° |
| C07 | N06 | C18 | H20 | 173.0° | 175.1° |
| C02 | C03 | C04 | C05 | 107.8° | 107.5° |
| C02 | C03 | C04 | H7 | 144.9° | 145.0° |
| C02 | C03 | C05 | H7 | 147.3° | 145.0° |
| C03 | C02 | N06 | O01 | 179.3° | 180.0° |
| C03 | C02 | N06 | C18 | 179.8° | 0.1° |
| C02 | C03 | C04 | H8 | 142.7° | 145.0° |
| C02 | C03 | C04 | H9 | 1.7° | 0.0° |
| C02 | C03 | C05 | H10 | 4.1° | 0.1° |
| C02 | C03 | C05 | H11 | 145.2° | 145.0° |
| C04 | C03 | C05 | H7 | 107.4° | 107.4° |
| C04 | C03 | C02 | N06 | 78.2° | 180.0° |
| C04 | C03 | C02 | O01 | 102.5° | 0.0° |
| C03 | C04 | C05 | H8 | 109.5° | 107.5° |
| C03 | C04 | C05 | H9 | 109.5° | 107.4° |
| C03 | C04 | H8 | H9 | 144.7° | 145.7° |
| C04 | C03 | C05 | H10 | 109.4° | 107.5° |
| C04 | C03 | C05 | H11 | 109.4° | 107.4° |
| C05 | C03 | C02 | N06 | 145.9° | 111.3° |
| C05 | C03 | C02 | O01 | 34.8° | 68.6° |
| C03 | C05 | H10 | H11 | 144.8° | 145.8° |
| N06 | C02 | C03 | H7 | 66.8° | 34.3° |
| C02 | N06 | C07 | H12 | 26.8° | 5.0° |
| C02 | N06 | C07 | H13 | 90.7° | 115.3° |
| C02 | N06 | C18 | H19 | 111.2° | 115.5° |
| C02 | N06 | C18 | H20 | 8.3° | 4.9° |
| C18 | N06 | C02 | O01 | 0.9° | 179.9° |
| N06 | C18 | C17 | H5 | 172.8° | 70.4° |
| N06 | C18 | C17 | H6 | 52.8° | 169.3° |
| C18 | N06 | C07 | H12 | 154.5° | 174.9° |
| C18 | N06 | C07 | H13 | 88.0° | 64.8° |
| N06 | C18 | H19 | H20 | 119.3° | 120.5° |
| O01 | C02 | C03 | H7 | 112.5° | 145.7° |
| C05 | C04 | H8 | H9 | 144.6° | 145.7° |
| C04 | C05 | H10 | H11 | 144.7° | 145.6° |
| H1 | C13 | C12 | H16 | 123.6° | 123.8° |
| H1 | C13 | C14 | H17 | 98.3° | 21.5° |
| H1 | C13 | C14 | H18 | 23.6° | 102.2° |
| H2 | C13 | C12 | H16 | 2.7° | 1.3° |
| H2 | C13 | C14 | H17 | 22.5° | 143.9° |
| H2 | C13 | C14 | H18 | 144.4° | 20.3° |
| H3 | C15 | C14 | H17 | 41.3° | 37.5° |
| H3 | C15 | C14 | H18 | 163.3° | 86.1° |
| H4 | C15 | C14 | H17 | 81.4° | 160.3° |
| H4 | C15 | C14 | H18 | 40.5° | 36.7° |
| H5 | C17 | C18 | H19 | 67.0° | 169.9° |
| H5 | C17 | C18 | H20 | 52.5° | 49.5° |
| H6 | C17 | C18 | H19 | 173.1° | 49.7° |
| H6 | C17 | C18 | H20 | 67.4° | 70.7° |
| H7 | C03 | C04 | H8 | 2.2° | 0.1° |
| H7 | C03 | C04 | H9 | 143.2° | 145.0° |
| H7 | C03 | C05 | H10 | 143.2° | 145.1° |
| H7 | C03 | C05 | H11 | 2.1° | 0.0° |
| H8 | C04 | C05 | H10 | 141.0° | 145.0° |
| H8 | C04 | C05 | H11 | 0.0° | 0.0° |
| H9 | C04 | C05 | H10 | 0.1° | 0.0° |
| H9 | C04 | C05 | H11 | 141.0° | 145.0° |
| H12 | C07 | C08 | H14 | 26.5° | 71.1° |
| H12 | C07 | C08 | H15 | 91.3° | 49.4° |
| H13 | C07 | C08 | H14 | 144.0° | 49.3° |
| H13 | C07 | C08 | H15 | 26.2° | 169.8° |
