7G1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C15 | sing | 1.55Å | 1.54Å | |
| C17 | C16 | sing | 1.55Å | 1.55Å | |
| C10 | C09 | sing | 1.55Å | 1.54Å | |
| C10 | C02 | sing | 1.54Å | 1.56Å | |
| C15 | O02 | sing | 1.43Å | 1.40Å | |
| C15 | C05 | sing | 1.52Å | 1.53Å | |
| C16 | C04 | sing | 1.53Å | 1.53Å | |
| C09 | C08 | sing | 1.50Å | 1.50Å | |
| C04 | C05 | sing | 1.55Å | 1.54Å | |
| C04 | C03 | sing | 1.52Å | 1.53Å | |
| C01 | C02 | sing | 1.52Å | 1.55Å | |
| C01 | C06 | sing | 1.54Å | 1.54Å | |
| C02 | C03 | sing | 1.54Å | 1.55Å | |
| C02 | C07 | sing | 1.50Å | 1.52Å | |
| C05 | C06 | sing | 1.52Å | 1.54Å | |
| C05 | C18 | sing | 1.53Å | 1.55Å | |
| C08 | C07 | doub | 1.39Å | 1.34Å | Aromatic |
| C08 | C14 | sing | 1.39Å | 1.34Å | Aromatic |
| C07 | C11 | sing | 1.39Å | 1.34Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.34Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.34Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.35Å | Aromatic |
| C13 | O01 | sing | 1.36Å | 1.36Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| O01 | H15 | sing | 0.97Å | 0.95Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| O02 | H21 | sing | 0.97Å | 0.95Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C17 | C16 | 104.8° | 106.4° |
| C17 | C15 | O02 | 112.6° | 110.3° |
| C17 | C15 | C05 | 103.2° | 105.3° |
| C17 | C15 | H16 | 108.4° | 110.3° |
| C15 | C17 | H19 | 110.6° | 110.0° |
| C15 | C17 | H20 | 110.6° | 110.0° |
| C17 | C16 | C04 | 102.1° | 103.0° |
| C17 | C16 | H17 | 111.3° | 110.8° |
| C17 | C16 | H18 | 111.3° | 110.8° |
| C16 | C17 | H19 | 110.6° | 110.1° |
| C16 | C17 | H20 | 110.6° | 110.1° |
| C09 | C10 | C02 | 107.6° | 102.6° |
| C10 | C09 | C08 | 100.8° | 105.1° |
| C10 | C09 | H8 | 111.6° | 110.3° |
| C10 | C09 | H9 | 111.6° | 110.4° |
| C09 | C10 | H10 | 110.0° | 110.8° |
| C09 | C10 | H11 | 110.0° | 110.7° |
| C10 | C02 | C01 | 107.4° | 109.5° |
| C10 | C02 | C03 | 109.5° | 108.9° |
| C10 | C02 | C07 | 99.6° | 105.3° |
| C02 | C10 | H10 | 109.9° | 110.8° |
| C02 | C10 | H11 | 109.9° | 110.8° |
| O02 | C15 | C05 | 113.7° | 110.3° |
| O02 | C15 | H16 | 110.2° | 110.2° |
| C15 | O02 | H21 | 109.5° | 114.0° |
| C15 | C05 | C04 | 95.0° | 103.3° |
| C15 | C05 | C06 | 117.0° | 116.5° |
| C15 | C05 | C18 | 109.9° | 109.8° |
| C05 | C15 | H16 | 108.4° | 110.3° |
| C16 | C04 | C05 | 102.8° | 101.6° |
| C16 | C04 | C03 | 120.0° | 115.7° |
| C16 | C04 | H5 | 106.8° | 111.1° |
| C04 | C16 | H17 | 111.3° | 110.7° |
| C04 | C16 | H18 | 111.3° | 110.7° |
| C09 | C08 | C07 | 112.4° | 109.9° |
| C09 | C08 | C14 | 126.0° | 128.7° |
| C08 | C09 | H8 | 111.6° | 110.3° |
| C08 | C09 | H9 | 111.6° | 110.3° |
| C05 | C04 | C03 | 113.0° | 107.0° |
| C04 | C05 | C06 | 110.9° | 107.4° |
| C04 | C05 | C18 | 114.2° | 109.7° |
| C05 | C04 | H5 | 106.6° | 110.5° |
| C04 | C03 | C02 | 108.5° | 107.2° |
| C04 | C03 | H3 | 109.7° | 109.9° |
| C04 | C03 | H4 | 109.7° | 110.0° |
| C03 | C04 | H5 | 106.8° | 110.4° |
| C02 | C01 | C06 | 119.1° | 111.4° |
| C01 | C02 | C03 | 113.9° | 112.1° |
| C01 | C02 | C07 | 115.4° | 110.7° |
| C02 | C01 | H1 | 107.0° | 109.1° |
| C02 | C01 | H2 | 107.0° | 109.1° |
| C01 | C06 | C05 | 115.0° | 107.3° |
| C06 | C01 | H1 | 107.0° | 109.1° |
| C06 | C01 | H2 | 107.0° | 109.1° |
| C01 | C06 | H6 | 108.1° | 109.9° |
| C01 | C06 | H7 | 108.0° | 109.9° |
| C03 | C02 | C07 | 110.0° | 110.1° |
| C02 | C03 | H3 | 109.7° | 109.9° |
| C02 | C03 | H4 | 109.7° | 109.9° |
| C02 | C07 | C08 | 112.8° | 109.8° |
| C02 | C07 | C11 | 128.0° | 128.8° |
| C06 | C05 | C18 | 109.4° | 109.7° |
| C05 | C06 | H6 | 108.1° | 109.9° |
| C05 | C06 | H7 | 108.1° | 109.9° |
| C05 | C18 | H22 | 109.5° | 109.5° |
| C05 | C18 | H23 | 109.4° | 109.5° |
| C05 | C18 | H24 | 109.5° | 109.5° |
| C07 | C08 | C14 | 121.5° | 121.3° |
| C08 | C07 | C11 | 119.2° | 121.3° |
| C08 | C14 | C13 | 119.8° | 117.2° |
| C08 | C14 | H14 | 120.1° | 121.4° |
| C07 | C11 | C12 | 119.3° | 117.2° |
| C07 | C11 | H12 | 120.4° | 121.4° |
| C14 | C13 | C12 | 118.3° | 121.3° |
| C14 | C13 | O01 | 120.5° | 119.3° |
| C13 | C14 | H14 | 120.1° | 121.4° |
| C11 | C12 | C13 | 121.9° | 121.6° |
| C12 | C11 | H12 | 120.4° | 121.4° |
| C11 | C12 | H13 | 119.1° | 119.2° |
| C12 | C13 | O01 | 121.2° | 119.3° |
| C13 | C12 | H13 | 119.0° | 119.2° |
| C13 | O01 | H15 | 109.5° | 114.0° |
| H1 | C01 | H2 | 109.4° | 109.0° |
| H3 | C03 | H4 | 109.5° | 109.9° |
| H6 | C06 | H7 | 109.5° | 110.0° |
| H8 | C09 | H9 | 109.5° | 110.3° |
| H10 | C10 | H11 | 109.5° | 110.8° |
| H17 | C16 | H18 | 109.5° | 110.7° |
| H19 | C17 | H20 | 109.5° | 110.1° |
| H22 | C18 | H23 | 109.5° | 109.4° |
| H22 | C18 | H24 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C17 | C16 | H19 | 119.3° | 119.2° |
| C15 | C17 | C16 | H20 | 119.3° | 119.2° |
| C17 | C15 | O02 | C05 | 116.9° | 115.9° |
| C17 | C15 | O02 | H16 | 121.2° | 122.1° |
| C17 | C15 | C05 | H16 | 114.8° | 119.1° |
| C15 | C17 | C16 | C04 | 5.3° | 24.0° |
| C17 | C15 | C05 | C04 | 50.4° | 29.2° |
| C17 | C15 | C05 | C06 | 166.9° | 146.8° |
| C17 | C15 | C05 | C18 | 67.5° | 87.7° |
| C15 | C17 | C16 | H17 | 124.2° | 94.4° |
| C15 | C17 | C16 | H18 | 113.5° | 142.4° |
| C15 | C17 | H19 | H20 | 122.2° | 121.5° |
| C17 | C15 | O02 | H21 | 180.0° | 64.1° |
| C16 | C17 | C15 | O02 | 152.0° | 122.4° |
| C16 | C17 | C15 | C05 | 29.0° | 3.4° |
| C17 | C16 | C04 | H17 | 118.8° | 118.4° |
| C17 | C16 | C04 | H18 | 118.8° | 118.5° |
| C17 | C16 | C04 | C05 | 37.8° | 41.6° |
| C17 | C16 | C04 | C03 | 164.2° | 157.1° |
| C17 | C16 | C04 | H5 | 74.2° | 76.0° |
| C16 | C17 | C15 | H16 | 85.8° | 115.6° |
| C17 | C16 | H17 | H18 | 123.4° | 123.3° |
| C16 | C17 | H19 | H20 | 122.1° | 121.6° |
| C09 | C10 | C02 | H10 | 119.7° | 118.3° |
| C09 | C10 | C02 | H11 | 119.7° | 118.3° |
| C10 | C09 | C08 | H8 | 118.6° | 118.9° |
| C10 | C09 | C08 | H9 | 118.6° | 119.0° |
| C09 | C10 | C02 | C01 | 95.8° | 93.7° |
| C09 | C10 | C02 | C03 | 140.1° | 143.4° |
| C09 | C10 | C02 | C07 | 24.8° | 25.3° |
| C10 | C09 | C08 | C07 | 15.5° | 16.5° |
| C10 | C09 | C08 | C14 | 164.1° | 163.5° |
| C10 | C09 | H8 | H9 | 124.0° | 122.2° |
| C09 | C10 | H10 | H11 | 120.9° | 123.4° |
| C02 | C10 | C09 | C08 | 24.9° | 25.3° |
| C10 | C02 | C03 | C04 | 93.3° | 63.9° |
| C10 | C02 | C01 | C03 | 121.4° | 120.9° |
| C10 | C02 | C01 | C07 | 110.0° | 115.7° |
| C10 | C02 | C01 | C06 | 144.2° | 66.7° |
| C10 | C02 | C03 | C07 | 108.4° | 115.0° |
| C10 | C02 | C07 | C08 | 15.7° | 16.5° |
| C10 | C02 | C07 | C11 | 164.4° | 163.4° |
| C10 | C02 | C01 | H1 | 22.8° | 53.8° |
| C10 | C02 | C01 | H2 | 94.5° | 172.9° |
| C10 | C02 | C03 | H3 | 26.6° | 176.7° |
| C10 | C02 | C03 | H4 | 146.9° | 55.6° |
| C02 | C10 | C09 | H8 | 93.7° | 144.2° |
| C02 | C10 | C09 | H9 | 143.5° | 93.6° |
| C02 | C10 | H10 | H11 | 120.9° | 123.4° |
| O02 | C15 | C05 | H16 | 122.9° | 122.0° |
| O02 | C15 | C05 | C04 | 172.7° | 148.2° |
| O02 | C15 | C05 | C06 | 70.8° | 94.3° |
| O02 | C15 | C05 | C18 | 54.7° | 31.2° |
| O02 | C15 | C17 | H19 | 88.7° | 118.4° |
| O02 | C15 | C17 | H20 | 32.8° | 3.2° |
| C15 | C05 | C04 | C16 | 54.6° | 44.4° |
| C15 | C05 | C04 | C06 | 121.4° | 123.7° |
| C15 | C05 | C04 | C18 | 114.4° | 117.0° |
| C15 | C05 | C04 | C03 | 174.6° | 166.2° |
| C15 | C05 | C06 | C01 | 108.3° | 179.8° |
| C15 | C05 | C06 | C18 | 125.8° | 125.5° |
| C15 | C05 | C04 | H5 | 57.6° | 73.6° |
| C15 | C05 | C06 | H6 | 12.6° | 60.3° |
| C15 | C05 | C06 | H7 | 130.9° | 60.8° |
| C05 | C15 | C17 | H19 | 148.3° | 122.7° |
| C05 | C15 | C17 | H20 | 90.2° | 115.8° |
| C05 | C15 | O02 | H21 | 63.1° | 180.0° |
| C15 | C05 | C18 | H22 | 180.0° | 52.8° |
| C15 | C05 | C18 | H23 | 60.0° | 67.1° |
| C15 | C05 | C18 | H24 | 60.0° | 172.9° |
| C16 | C04 | C05 | C03 | 130.8° | 121.8° |
| C16 | C04 | C05 | H5 | 112.1° | 118.0° |
| C16 | C04 | C03 | H5 | 121.5° | 127.2° |
| C16 | C04 | C03 | C02 | 171.2° | 176.6° |
| C16 | C04 | C05 | C06 | 176.0° | 168.1° |
| C16 | C04 | C05 | C18 | 59.9° | 72.7° |
| C16 | C04 | C03 | H3 | 51.3° | 57.2° |
| C16 | C04 | C03 | H4 | 69.0° | 63.9° |
| C04 | C16 | H17 | H18 | 123.4° | 123.1° |
| C04 | C16 | C17 | H19 | 113.9° | 95.2° |
| C04 | C16 | C17 | H20 | 124.6° | 143.2° |
| C09 | C08 | C07 | C02 | 0.3° | 0.1° |
| C09 | C08 | C07 | C14 | 179.6° | 180.0° |
| C09 | C08 | C07 | C11 | 179.9° | 180.0° |
| C09 | C08 | C14 | C13 | 179.8° | 179.9° |
| C08 | C09 | H8 | H9 | 124.0° | 122.1° |
| C08 | C09 | C10 | H10 | 94.8° | 143.6° |
| C08 | C09 | C10 | H11 | 144.6° | 93.0° |
| C09 | C08 | C14 | H14 | 0.2° | 0.1° |
| C05 | C04 | C03 | H5 | 117.0° | 120.3° |
| C04 | C05 | C06 | C01 | 0.9° | 64.5° |
| C05 | C04 | C03 | C02 | 67.3° | 64.2° |
| C04 | C05 | C06 | C18 | 126.8° | 119.2° |
| C05 | C04 | C03 | H3 | 172.8° | 55.3° |
| C05 | C04 | C03 | H4 | 52.5° | 176.3° |
| C04 | C05 | C06 | H6 | 120.0° | 54.9° |
| C04 | C05 | C06 | H7 | 121.7° | 176.0° |
| C04 | C05 | C15 | H16 | 64.4° | 89.8° |
| C05 | C04 | C16 | H17 | 156.6° | 76.8° |
| C05 | C04 | C16 | H18 | 81.0° | 160.1° |
| C04 | C05 | C18 | H22 | 74.7° | 60.1° |
| C04 | C05 | C18 | H23 | 45.3° | 180.0° |
| C04 | C05 | C18 | H24 | 165.3° | 60.0° |
| C04 | C03 | C02 | C01 | 26.9° | 57.3° |
| C04 | C03 | C02 | H3 | 119.9° | 119.4° |
| C04 | C03 | C02 | H4 | 119.8° | 119.5° |
| C04 | C03 | C02 | C07 | 158.3° | 178.9° |
| C03 | C04 | C05 | C06 | 53.2° | 70.1° |
| C03 | C04 | C05 | C18 | 70.9° | 49.1° |
| C04 | C03 | H3 | H4 | 120.4° | 121.1° |
| C03 | C04 | C16 | H17 | 76.9° | 38.7° |
| C03 | C04 | C16 | H18 | 45.4° | 84.3° |
| C02 | C01 | C06 | H1 | 121.4° | 120.5° |
| C02 | C01 | C06 | H2 | 121.4° | 120.4° |
| C01 | C02 | C03 | C07 | 131.3° | 123.7° |
| C02 | C01 | C06 | C05 | 37.1° | 57.0° |
| C01 | C02 | C07 | C08 | 98.8° | 101.7° |
| C01 | C02 | C07 | C11 | 81.0° | 78.3° |
| C02 | C01 | H1 | H2 | 115.7° | 119.0° |
| C01 | C02 | C03 | H3 | 146.8° | 62.1° |
| C01 | C02 | C03 | H4 | 92.9° | 176.9° |
| C02 | C01 | C06 | H6 | 157.9° | 62.4° |
| C02 | C01 | C06 | H7 | 83.8° | 176.4° |
| C01 | C02 | C10 | H10 | 144.5° | 24.6° |
| C01 | C02 | C10 | H11 | 23.9° | 148.0° |
| C06 | C01 | C02 | C03 | 22.8° | 54.2° |
| C06 | C01 | C02 | C07 | 105.8° | 177.6° |
| C01 | C06 | C05 | H6 | 120.8° | 119.4° |
| C01 | C06 | C05 | H7 | 120.8° | 119.5° |
| C01 | C06 | C05 | C18 | 126.0° | 54.7° |
| C06 | C01 | H1 | H2 | 115.6° | 119.0° |
| C01 | C06 | H6 | H7 | 117.5° | 121.1° |
| C03 | C02 | C07 | C08 | 130.7° | 133.8° |
| C03 | C02 | C07 | C11 | 49.5° | 46.2° |
| C03 | C02 | C01 | H1 | 98.6° | 174.8° |
| C03 | C02 | C01 | H2 | 144.2° | 66.2° |
| C02 | C03 | H3 | H4 | 120.5° | 121.1° |
| C02 | C03 | C04 | H5 | 49.6° | 56.1° |
| C03 | C02 | C10 | H10 | 20.4° | 98.3° |
| C03 | C02 | C10 | H11 | 100.2° | 25.2° |
| C02 | C07 | C08 | C11 | 179.8° | 179.9° |
| C02 | C07 | C08 | C14 | 179.9° | 180.0° |
| C02 | C07 | C11 | C12 | 179.9° | 180.0° |
| C07 | C02 | C01 | H1 | 132.8° | 61.9° |
| C07 | C02 | C01 | H2 | 15.5° | 57.2° |
| C07 | C02 | C03 | H3 | 81.9° | 61.6° |
| C07 | C02 | C03 | H4 | 38.4° | 59.4° |
| C07 | C02 | C10 | H10 | 94.9° | 143.6° |
| C07 | C02 | C10 | H11 | 144.5° | 92.9° |
| C02 | C07 | C11 | H12 | 0.1° | 0.0° |
| C05 | C06 | C01 | H1 | 84.3° | 177.5° |
| C05 | C06 | C01 | H2 | 158.5° | 63.4° |
| C06 | C05 | C04 | H5 | 63.9° | 50.1° |
| C05 | C06 | H6 | H7 | 117.5° | 121.0° |
| C06 | C05 | C15 | H16 | 52.1° | 27.7° |
| C06 | C05 | C18 | H22 | 50.2° | 177.9° |
| C06 | C05 | C18 | H23 | 170.2° | 62.2° |
| C06 | C05 | C18 | H24 | 69.8° | 57.8° |
| C18 | C05 | C04 | H5 | 172.0° | 169.3° |
| C18 | C05 | C06 | H6 | 113.2° | 174.1° |
| C18 | C05 | C06 | H7 | 5.2° | 64.8° |
| C18 | C05 | C15 | H16 | 177.7° | 153.2° |
| C05 | C18 | H22 | H23 | 120.0° | 120.0° |
| C05 | C18 | H22 | H24 | 120.0° | 120.1° |
| C05 | C18 | H23 | H24 | 120.0° | 120.0° |
| C07 | C08 | C14 | C13 | 0.2° | 0.1° |
| C08 | C07 | C11 | C12 | 0.1° | 0.0° |
| C07 | C08 | C09 | H8 | 103.1° | 135.5° |
| C07 | C08 | C09 | H9 | 134.1° | 102.4° |
| C08 | C07 | C11 | H12 | 179.9° | 180.0° |
| C07 | C08 | C14 | H14 | 179.8° | 179.9° |
| C14 | C08 | C07 | C11 | 0.2° | 0.0° |
| C08 | C14 | C13 | H14 | 180.0° | 179.8° |
| C08 | C14 | C13 | C12 | 0.0° | 0.1° |
| C08 | C14 | C13 | O01 | 179.8° | 180.0° |
| C14 | C08 | C09 | H8 | 77.3° | 44.6° |
| C14 | C08 | C09 | H9 | 45.5° | 77.5° |
| C07 | C11 | C12 | H12 | 180.0° | 180.0° |
| C07 | C11 | C12 | C13 | 0.2° | 0.0° |
| C07 | C11 | C12 | H13 | 179.8° | 180.0° |
| C14 | C13 | C12 | C11 | 0.2° | 0.0° |
| C14 | C13 | C12 | O01 | 179.8° | 179.9° |
| C14 | C13 | C12 | H13 | 179.8° | 179.9° |
| C14 | C13 | O01 | H15 | 180.0° | 90.1° |
| C11 | C12 | C13 | H13 | 180.0° | 179.9° |
| C11 | C12 | C13 | O01 | 180.0° | 180.0° |
| C13 | C12 | C11 | H12 | 179.8° | 180.0° |
| C12 | C13 | C14 | H14 | 180.0° | 179.9° |
| C12 | C13 | O01 | H15 | 0.2° | 90.0° |
| O01 | C13 | C12 | H13 | 0.0° | 0.0° |
| O01 | C13 | C14 | H14 | 0.2° | 0.2° |
| H1 | C01 | C06 | H6 | 36.5° | 58.1° |
| H1 | C01 | C06 | H7 | 154.9° | 63.0° |
| H2 | C01 | C06 | H6 | 80.7° | 177.1° |
| H2 | C01 | C06 | H7 | 37.6° | 56.0° |
| H3 | C03 | C04 | H5 | 70.2° | 175.6° |
| H4 | C03 | C04 | H5 | 169.5° | 63.3° |
| H5 | C04 | C16 | H17 | 44.6° | 165.6° |
| H5 | C04 | C16 | H18 | 167.0° | 42.5° |
| H8 | C09 | C10 | H10 | 146.6° | 97.5° |
| H8 | C09 | C10 | H11 | 26.0° | 25.9° |
| H9 | C09 | C10 | H10 | 23.8° | 24.7° |
| H9 | C09 | C10 | H11 | 96.8° | 148.1° |
| H12 | C11 | C12 | H13 | 0.2° | 0.0° |
| H16 | C15 | C17 | H19 | 33.4° | 3.7° |
| H16 | C15 | C17 | H20 | 155.0° | 125.2° |
| H16 | C15 | O02 | H21 | 58.8° | 58.0° |
| H17 | C16 | C17 | H19 | 4.9° | 146.4° |
| H17 | C16 | C17 | H20 | 116.6° | 24.8° |
| H18 | C16 | C17 | H19 | 127.2° | 23.2° |
| H18 | C16 | C17 | H20 | 5.8° | 98.4° |
| H22 | C18 | H23 | H24 | 120.0° | 120.0° |
