GO9
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O22 | C19 | sing | 1.43Å | 1.40Å | |
C19 | C15 | sing | 1.53Å | 1.52Å | |
C15 | O12 | sing | 1.43Å | 1.41Å | |
O12 | C3 | sing | 1.43Å | 1.42Å | |
C3 | C1 | sing | 1.53Å | 1.51Å | |
C17 | O14 | sing | 1.43Å | 1.39Å | |
C17 | C20 | sing | 1.53Å | 1.52Å | |
C6 | O14 | sing | 1.43Å | 1.39Å | |
C6 | C1 | sing | 1.53Å | 1.53Å | |
C1 | C5 | sing | 1.53Å | 1.53Å | |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C20 | O21 | sing | 1.43Å | 1.40Å | |
C5 | O11 | sing | 1.43Å | 1.40Å | |
O11 | C7 | sing | 1.43Å | 1.40Å | |
C2 | O13 | sing | 1.43Å | 1.42Å | |
O21 | C25 | sing | 1.43Å | 1.40Å | |
C25 | C31 | sing | 1.53Å | 1.53Å | |
C7 | C8 | sing | 1.53Å | 1.53Å | |
C31 | O33 | sing | 1.43Å | 1.40Å | |
C8 | O9 | sing | 1.43Å | 1.39Å | |
C15 | H1 | sing | 1.09Å | 1.10Å | |
C15 | H2 | sing | 1.09Å | 1.10Å | |
C17 | H3 | sing | 1.09Å | 1.10Å | |
C17 | H4 | sing | 1.09Å | 1.10Å | |
C19 | H5 | sing | 1.09Å | 1.10Å | |
C19 | H6 | sing | 1.09Å | 1.10Å | |
C2 | H7 | sing | 1.09Å | 1.10Å | |
C2 | H8 | sing | 1.09Å | 1.10Å | |
C20 | H9 | sing | 1.09Å | 1.10Å | |
C20 | H10 | sing | 1.09Å | 1.10Å | |
C25 | H11 | sing | 1.09Å | 1.10Å | |
C25 | H12 | sing | 1.09Å | 1.10Å | |
C3 | H13 | sing | 1.09Å | 1.10Å | |
C3 | H14 | sing | 1.09Å | 1.10Å | |
C31 | H15 | sing | 1.09Å | 1.10Å | |
C31 | H16 | sing | 1.09Å | 1.10Å | |
C5 | H17 | sing | 1.09Å | 1.10Å | |
C5 | H18 | sing | 1.09Å | 1.10Å | |
C6 | H19 | sing | 1.09Å | 1.10Å | |
C6 | H20 | sing | 1.09Å | 1.10Å | |
C7 | H21 | sing | 1.09Å | 1.10Å | |
C7 | H22 | sing | 1.09Å | 1.10Å | |
C8 | H23 | sing | 1.09Å | 1.10Å | |
C8 | H24 | sing | 1.09Å | 1.10Å | |
O13 | H25 | sing | 0.97Å | 0.95Å | |
O22 | H26 | sing | 0.97Å | 0.95Å | |
O33 | H27 | sing | 0.97Å | 0.95Å | |
O9 | H28 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O22 | C19 | C15 | 106.8° | 109.5° |
O22 | C19 | H5 | 110.1° | 109.5° |
O22 | C19 | H6 | 110.1° | 109.5° |
C19 | O22 | H26 | 109.5° | 114.0° |
C19 | C15 | O12 | 113.4° | 109.5° |
C19 | C15 | H1 | 108.5° | 109.5° |
C19 | C15 | H2 | 108.5° | 109.5° |
C15 | C19 | H5 | 110.2° | 109.4° |
C15 | C19 | H6 | 110.1° | 109.5° |
C15 | O12 | C3 | 117.2° | 114.0° |
O12 | C15 | H1 | 108.5° | 109.5° |
O12 | C15 | H2 | 108.5° | 109.5° |
O12 | C3 | C1 | 103.8° | 109.5° |
O12 | C3 | H13 | 110.9° | 109.4° |
O12 | C3 | H14 | 110.9° | 109.5° |
C3 | C1 | C6 | 105.6° | 109.5° |
C3 | C1 | C5 | 110.2° | 109.5° |
C3 | C1 | C2 | 114.8° | 109.5° |
C1 | C3 | H13 | 110.9° | 109.5° |
C1 | C3 | H14 | 110.9° | 109.6° |
O14 | C17 | C20 | 109.8° | 109.5° |
C17 | O14 | C6 | 111.3° | 114.0° |
O14 | C17 | H3 | 109.4° | 109.5° |
O14 | C17 | H4 | 109.4° | 109.5° |
C17 | C20 | O21 | 109.8° | 109.4° |
C20 | C17 | H3 | 109.4° | 109.5° |
C20 | C17 | H4 | 109.4° | 109.5° |
C17 | C20 | H9 | 109.4° | 109.5° |
C17 | C20 | H10 | 109.4° | 109.5° |
O14 | C6 | C1 | 112.7° | 109.5° |
O14 | C6 | H19 | 108.7° | 109.5° |
O14 | C6 | H20 | 108.7° | 109.5° |
C6 | C1 | C5 | 103.9° | 109.5° |
C6 | C1 | C2 | 111.0° | 109.5° |
C1 | C6 | H19 | 108.7° | 109.5° |
C1 | C6 | H20 | 108.7° | 109.5° |
C5 | C1 | C2 | 110.7° | 109.5° |
C1 | C5 | O11 | 117.1° | 109.5° |
C1 | C5 | H17 | 107.5° | 109.4° |
C1 | C5 | H18 | 107.5° | 109.5° |
C1 | C2 | O13 | 109.7° | 109.5° |
C1 | C2 | H7 | 109.4° | 109.5° |
C1 | C2 | H8 | 109.4° | 109.5° |
C20 | O21 | C25 | 113.6° | 114.0° |
O21 | C20 | H9 | 109.4° | 109.5° |
O21 | C20 | H10 | 109.4° | 109.5° |
C5 | O11 | C7 | 100.8° | 114.0° |
O11 | C5 | H17 | 107.5° | 109.4° |
O11 | C5 | H18 | 107.5° | 109.5° |
O11 | C7 | C8 | 104.9° | 109.5° |
O11 | C7 | H21 | 110.6° | 109.4° |
O11 | C7 | H22 | 110.6° | 109.5° |
O13 | C2 | H7 | 109.4° | 109.4° |
O13 | C2 | H8 | 109.4° | 109.5° |
C2 | O13 | H25 | 109.5° | 114.1° |
O21 | C25 | C31 | 106.9° | 109.5° |
O21 | C25 | H11 | 110.1° | 109.5° |
O21 | C25 | H12 | 110.1° | 109.5° |
C25 | C31 | O33 | 107.7° | 109.5° |
C31 | C25 | H11 | 110.1° | 109.5° |
C31 | C25 | H12 | 110.1° | 109.5° |
C25 | C31 | H15 | 109.9° | 109.5° |
C25 | C31 | H16 | 109.9° | 109.5° |
C7 | C8 | O9 | 111.5° | 109.5° |
C8 | C7 | H21 | 110.6° | 109.5° |
C8 | C7 | H22 | 110.6° | 109.5° |
C7 | C8 | H23 | 109.0° | 109.4° |
C7 | C8 | H24 | 109.0° | 109.5° |
O33 | C31 | H15 | 109.9° | 109.4° |
O33 | C31 | H16 | 109.9° | 109.5° |
C31 | O33 | H27 | 109.5° | 114.0° |
O9 | C8 | H23 | 108.9° | 109.5° |
O9 | C8 | H24 | 108.9° | 109.5° |
C8 | O9 | H28 | 109.5° | 114.0° |
H1 | C15 | H2 | 109.5° | 109.5° |
H3 | C17 | H4 | 109.5° | 109.4° |
H5 | C19 | H6 | 109.4° | 109.5° |
H7 | C2 | H8 | 109.5° | 109.4° |
H9 | C20 | H10 | 109.4° | 109.5° |
H11 | C25 | H12 | 109.5° | 109.4° |
H13 | C3 | H14 | 109.4° | 109.5° |
H15 | C31 | H16 | 109.4° | 109.5° |
H17 | C5 | H18 | 109.5° | 109.5° |
H19 | C6 | H20 | 109.5° | 109.5° |
H21 | C7 | H22 | 109.5° | 109.5° |
H23 | C8 | H24 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O22 | C19 | C15 | H5 | 119.6° | 120.0° |
O22 | C19 | C15 | H6 | 119.6° | 120.0° |
O22 | C19 | C15 | O12 | 176.2° | 65.0° |
O22 | C19 | C15 | H1 | 63.2° | 175.0° |
O22 | C19 | C15 | H2 | 55.7° | 55.0° |
O22 | C19 | H5 | H6 | 121.2° | 120.0° |
C19 | C15 | O12 | H1 | 120.6° | 120.0° |
C19 | C15 | O12 | H2 | 120.6° | 120.0° |
C19 | C15 | O12 | C3 | 149.0° | 180.0° |
C19 | C15 | H1 | H2 | 118.2° | 120.0° |
C15 | C19 | H5 | H6 | 121.2° | 120.0° |
C15 | C19 | O22 | H26 | 180.0° | 179.9° |
C15 | O12 | C3 | C1 | 107.2° | 180.0° |
O12 | C15 | H1 | H2 | 118.2° | 120.0° |
O12 | C15 | C19 | H5 | 56.6° | 175.0° |
O12 | C15 | C19 | H6 | 64.1° | 55.0° |
C15 | O12 | C3 | H13 | 133.7° | 60.0° |
C15 | O12 | C3 | H14 | 11.9° | 59.9° |
O12 | C3 | C1 | H13 | 119.1° | 119.9° |
O12 | C3 | C1 | H14 | 119.1° | 120.0° |
O12 | C3 | C1 | C6 | 37.2° | 60.0° |
O12 | C3 | C1 | C5 | 74.4° | 60.0° |
O12 | C3 | C1 | C2 | 159.9° | 180.0° |
C3 | O12 | C15 | H1 | 90.5° | 60.0° |
C3 | O12 | C15 | H2 | 28.4° | 60.0° |
O12 | C3 | H13 | H14 | 122.6° | 119.9° |
C3 | C1 | C6 | O14 | 97.2° | 60.0° |
C3 | C1 | C6 | C5 | 116.0° | 120.0° |
C3 | C1 | C6 | C2 | 125.0° | 120.0° |
C3 | C1 | C5 | C2 | 128.0° | 120.0° |
C3 | C1 | C5 | O11 | 49.6° | 60.0° |
C3 | C1 | C2 | O13 | 167.3° | 180.0° |
C3 | C1 | C2 | H7 | 72.6° | 60.0° |
C3 | C1 | C2 | H8 | 47.3° | 60.0° |
C1 | C3 | H13 | H14 | 122.7° | 120.1° |
C3 | C1 | C5 | H17 | 71.5° | 179.9° |
C3 | C1 | C5 | H18 | 170.7° | 60.0° |
C3 | C1 | C6 | H19 | 23.2° | 60.0° |
C3 | C1 | C6 | H20 | 142.3° | 180.0° |
O14 | C17 | C20 | H3 | 120.1° | 120.0° |
O14 | C17 | C20 | H4 | 120.0° | 120.0° |
C17 | O14 | C6 | C1 | 165.0° | 180.0° |
O14 | C17 | C20 | O21 | 53.4° | 65.0° |
O14 | C17 | H3 | H4 | 119.9° | 119.9° |
O14 | C17 | C20 | H9 | 173.5° | 175.0° |
O14 | C17 | C20 | H10 | 66.6° | 55.0° |
C17 | O14 | C6 | H19 | 74.6° | 60.0° |
C17 | O14 | C6 | H20 | 44.5° | 60.0° |
C20 | C17 | O14 | C6 | 107.4° | 180.0° |
C17 | C20 | O21 | H9 | 120.1° | 120.0° |
C17 | C20 | O21 | H10 | 120.1° | 120.0° |
C17 | C20 | O21 | C25 | 108.4° | 180.0° |
C20 | C17 | H3 | H4 | 119.8° | 120.1° |
C17 | C20 | H9 | H10 | 119.8° | 120.0° |
O14 | C6 | C1 | H19 | 120.5° | 120.0° |
O14 | C6 | C1 | H20 | 120.5° | 120.0° |
O14 | C6 | C1 | C5 | 146.8° | 180.0° |
O14 | C6 | C1 | C2 | 27.8° | 60.0° |
C6 | O14 | C17 | H3 | 12.6° | 60.0° |
C6 | O14 | C17 | H4 | 132.5° | 60.0° |
O14 | C6 | H19 | H20 | 118.5° | 120.0° |
C6 | C1 | C5 | C2 | 119.3° | 120.0° |
C6 | C1 | C5 | O11 | 162.3° | 180.0° |
C6 | C1 | C2 | O13 | 73.0° | 60.0° |
C6 | C1 | C2 | H7 | 47.0° | 180.0° |
C6 | C1 | C2 | H8 | 167.0° | 60.1° |
C6 | C1 | C3 | H13 | 81.9° | 59.9° |
C6 | C1 | C3 | H14 | 156.3° | 180.0° |
C6 | C1 | C5 | H17 | 41.2° | 60.0° |
C6 | C1 | C5 | H18 | 76.6° | 60.0° |
C1 | C6 | H19 | H20 | 118.6° | 120.0° |
C1 | C5 | O11 | H17 | 121.1° | 119.9° |
C1 | C5 | O11 | H18 | 121.1° | 120.0° |
C1 | C5 | O11 | C7 | 142.9° | 180.0° |
C5 | C1 | C2 | O13 | 41.9° | 60.0° |
C5 | C1 | C2 | H7 | 161.9° | 60.0° |
C5 | C1 | C2 | H8 | 78.2° | 180.0° |
C5 | C1 | C3 | H13 | 166.5° | 179.9° |
C5 | C1 | C3 | H14 | 44.7° | 60.0° |
C1 | C5 | H17 | H18 | 116.5° | 120.0° |
C5 | C1 | C6 | H19 | 92.7° | 60.0° |
C5 | C1 | C6 | H20 | 26.3° | 60.0° |
C2 | C1 | C5 | O11 | 78.5° | 60.0° |
C1 | C2 | O13 | H7 | 120.0° | 120.0° |
C1 | C2 | O13 | H8 | 120.0° | 120.0° |
C1 | C2 | H7 | H8 | 119.9° | 120.0° |
C2 | C1 | C3 | H13 | 40.8° | 60.1° |
C2 | C1 | C3 | H14 | 81.0° | 60.0° |
C2 | C1 | C5 | H17 | 160.4° | 60.0° |
C2 | C1 | C5 | H18 | 42.6° | 180.0° |
C2 | C1 | C6 | H19 | 148.2° | 180.0° |
C2 | C1 | C6 | H20 | 92.7° | 60.0° |
C1 | C2 | O13 | H25 | 180.0° | 180.0° |
C20 | O21 | C25 | C31 | 166.1° | 180.0° |
O21 | C20 | C17 | H3 | 66.7° | 175.0° |
O21 | C20 | C17 | H4 | 173.4° | 55.0° |
O21 | C20 | H9 | H10 | 119.8° | 120.1° |
C20 | O21 | C25 | H11 | 46.5° | 59.9° |
C20 | O21 | C25 | H12 | 74.3° | 60.0° |
C5 | O11 | C7 | C8 | 83.6° | 180.0° |
O11 | C5 | H17 | H18 | 116.5° | 120.0° |
C5 | O11 | C7 | H21 | 157.2° | 60.0° |
C5 | O11 | C7 | H22 | 35.7° | 60.0° |
O11 | C7 | C8 | H21 | 119.3° | 120.0° |
O11 | C7 | C8 | H22 | 119.3° | 120.0° |
O11 | C7 | C8 | O9 | 143.2° | 65.0° |
C7 | O11 | C5 | H17 | 96.0° | 60.1° |
C7 | O11 | C5 | H18 | 21.8° | 60.0° |
O11 | C7 | H21 | H22 | 122.1° | 120.0° |
O11 | C7 | C8 | H23 | 96.5° | 175.0° |
O11 | C7 | C8 | H24 | 22.9° | 55.0° |
O13 | C2 | H7 | H8 | 119.9° | 120.0° |
O21 | C25 | C31 | H11 | 119.6° | 120.0° |
O21 | C25 | C31 | H12 | 119.6° | 120.0° |
O21 | C25 | C31 | O33 | 68.9° | 65.0° |
C25 | O21 | C20 | H9 | 11.6° | 60.0° |
C25 | O21 | C20 | H10 | 131.5° | 60.0° |
O21 | C25 | H11 | H12 | 121.2° | 120.0° |
O21 | C25 | C31 | H15 | 50.8° | 175.1° |
O21 | C25 | C31 | H16 | 171.3° | 55.0° |
C25 | C31 | O33 | H15 | 119.7° | 120.0° |
C25 | C31 | O33 | H16 | 119.8° | 120.0° |
C31 | C25 | H11 | H12 | 121.2° | 120.0° |
C25 | C31 | H15 | H16 | 120.8° | 120.0° |
C25 | C31 | O33 | H27 | 180.0° | 180.0° |
C7 | C8 | O9 | H23 | 120.3° | 120.0° |
C7 | C8 | O9 | H24 | 120.3° | 120.0° |
C8 | C7 | H21 | H22 | 122.1° | 120.0° |
C7 | C8 | H23 | H24 | 119.1° | 120.0° |
C7 | C8 | O9 | H28 | 180.0° | 180.0° |
O33 | C31 | C25 | H11 | 171.5° | 175.0° |
O33 | C31 | C25 | H12 | 50.7° | 55.0° |
O33 | C31 | H15 | H16 | 120.8° | 120.0° |
O9 | C8 | C7 | H21 | 23.9° | 175.0° |
O9 | C8 | C7 | H22 | 97.5° | 55.0° |
O9 | C8 | H23 | H24 | 119.0° | 120.1° |
H1 | C15 | C19 | H5 | 177.2° | 55.0° |
H1 | C15 | C19 | H6 | 56.4° | 65.0° |
H2 | C15 | C19 | H5 | 64.0° | 65.0° |
H2 | C15 | C19 | H6 | 175.3° | 175.0° |
H3 | C17 | C20 | H9 | 53.4° | 55.0° |
H3 | C17 | C20 | H10 | 173.3° | 65.0° |
H4 | C17 | C20 | H9 | 66.5° | 65.0° |
H4 | C17 | C20 | H10 | 53.4° | 175.0° |
H5 | C19 | O22 | H26 | 60.4° | 60.0° |
H6 | C19 | O22 | H26 | 60.4° | 60.0° |
H7 | C2 | O13 | H25 | 60.0° | 60.0° |
H8 | C2 | O13 | H25 | 60.0° | 60.0° |
H11 | C25 | C31 | H15 | 68.8° | 55.0° |
H11 | C25 | C31 | H16 | 51.8° | 65.0° |
H12 | C25 | C31 | H15 | 170.4° | 64.9° |
H12 | C25 | C31 | H16 | 69.1° | 175.0° |
H15 | C31 | O33 | H27 | 60.3° | 60.0° |
H16 | C31 | O33 | H27 | 60.2° | 59.9° |
H21 | C7 | C8 | H23 | 144.2° | 55.0° |
H21 | C7 | C8 | H24 | 96.4° | 64.9° |
H22 | C7 | C8 | H23 | 22.8° | 65.0° |
H22 | C7 | C8 | H24 | 142.2° | 175.0° |
H23 | C8 | O9 | H28 | 59.7° | 60.1° |
H24 | C8 | O9 | H28 | 59.7° | 60.0° |