4A6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.50Å | 1.50Å | |
| C2 | C3 | sing | 1.45Å | 1.45Å | |
| C2 | C10 | doub | 1.44Å | 1.44Å | |
| C2 | RU | sing | 2.23Å | 2.23Å | |
| C3 | C4 | doub | 1.44Å | 1.44Å | |
| C3 | RU | sing | 2.25Å | 2.25Å | |
| C4 | C5 | sing | 1.45Å | 1.45Å | |
| C4 | RU | sing | 2.28Å | 2.28Å | |
| C5 | C6 | sing | 1.52Å | 1.52Å | |
| C5 | C9 | doub | 1.48Å | 1.48Å | |
| C5 | RU | sing | 2.24Å | 2.24Å | |
| C6 | C7 | sing | 1.54Å | 1.54Å | |
| C6 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.42Å | 1.42Å | |
| C9 | RU | sing | 2.20Å | 2.20Å | |
| C10 | RU | sing | 2.19Å | 2.19Å | |
| C1 | H1 | sing | 1.10Å | 1.10Å | |
| C1 | H2 | sing | 1.10Å | 1.10Å | |
| C1 | H3 | sing | 1.10Å | 1.10Å | |
| C6 | H6 | sing | 1.10Å | 1.10Å | |
| C7 | H7 | sing | 1.10Å | 1.10Å | |
| C7 | H8 | sing | 1.10Å | 1.10Å | |
| C7 | H9 | sing | 1.10Å | 1.10Å | |
| C8 | H10 | sing | 1.10Å | 1.10Å | |
| C8 | H11 | sing | 1.10Å | 1.10Å | |
| C8 | H12 | sing | 1.10Å | 1.10Å | |
| C4 | H4 | sing | 1.10Å | 1.10Å | |
| C3 | H5 | sing | 1.10Å | 1.10Å | |
| C10 | H14 | sing | 1.10Å | 1.10Å | |
| C9 | H13 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 120.1° | 120.1° |
| C1 | C2 | C10 | 119.1° | 119.1° |
| C1 | C2 | RU | 125.5° | 125.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C3 | C2 | C10 | 120.4° | 120.4° |
| C3 | C2 | RU | 72.0° | 72.0° |
| C2 | C3 | C4 | 119.6° | 119.6° |
| C2 | C3 | RU | 70.4° | 70.4° |
| C2 | C3 | H5 | 117.7° | 117.7° |
| C10 | C2 | RU | 69.5° | 69.5° |
| C2 | C10 | C9 | 119.2° | 119.2° |
| C2 | C10 | RU | 72.4° | 72.4° |
| C2 | C10 | H14 | 118.1° | 118.1° |
| C2 | RU | C3 | 37.7° | 37.7° |
| C2 | RU | C4 | 67.1° | 67.1° |
| C2 | RU | C5 | 81.3° | 81.3° |
| C2 | RU | C9 | 67.7° | 67.7° |
| C2 | RU | C10 | 38.0° | 38.0° |
| C4 | C3 | RU | 72.6° | 72.6° |
| C3 | C4 | C5 | 121.4° | 121.4° |
| C3 | C4 | RU | 70.5° | 70.5° |
| C3 | C4 | H4 | 115.6° | 115.6° |
| C4 | C3 | H5 | 117.9° | 117.9° |
| C3 | RU | C4 | 37.0° | 37.0° |
| C3 | RU | C5 | 68.2° | 68.2° |
| C3 | RU | C9 | 80.2° | 80.2° |
| C3 | RU | C10 | 68.7° | 68.7° |
| RU | C3 | H5 | 107.4° | 107.4° |
| C5 | C4 | RU | 69.6° | 69.6° |
| C4 | C5 | C6 | 121.0° | 121.0° |
| C4 | C5 | C9 | 116.8° | 116.8° |
| C4 | C5 | RU | 72.9° | 72.9° |
| C5 | C4 | H4 | 115.4° | 115.4° |
| C4 | RU | C5 | 37.4° | 37.4° |
| C4 | RU | C9 | 67.6° | 67.6° |
| C4 | RU | C10 | 80.5° | 80.5° |
| RU | C4 | H4 | 105.8° | 105.8° |
| C6 | C5 | C9 | 122.2° | 122.2° |
| C6 | C5 | RU | 128.9° | 128.9° |
| C5 | C6 | C7 | 111.9° | 111.9° |
| C5 | C6 | C8 | 112.8° | 112.8° |
| C5 | C6 | H6 | 107.0° | 107.0° |
| C9 | C5 | RU | 69.1° | 69.1° |
| C5 | C9 | C10 | 122.3° | 122.3° |
| C5 | C9 | RU | 72.0° | 72.0° |
| C5 | C9 | H13 | 115.5° | 115.5° |
| C5 | RU | C9 | 38.9° | 38.9° |
| C5 | RU | C10 | 69.8° | 69.8° |
| C7 | C6 | C8 | 111.2° | 111.2° |
| C7 | C6 | H6 | 106.7° | 106.7° |
| C6 | C7 | H7 | 109.5° | 109.5° |
| C6 | C7 | H8 | 109.5° | 109.5° |
| C6 | C7 | H9 | 109.4° | 109.5° |
| C8 | C6 | H6 | 106.8° | 106.8° |
| C6 | C8 | H10 | 109.5° | 109.5° |
| C6 | C8 | H11 | 109.5° | 109.5° |
| C6 | C8 | H12 | 109.4° | 109.4° |
| C10 | C9 | RU | 71.0° | 71.0° |
| C9 | C10 | RU | 71.4° | 71.4° |
| C9 | C10 | H14 | 118.7° | 118.7° |
| C10 | C9 | H13 | 116.7° | 116.7° |
| C9 | RU | C10 | 37.6° | 37.6° |
| RU | C9 | H13 | 106.8° | 106.8° |
| RU | C10 | H14 | 108.1° | 108.1° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H7 | C7 | H9 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.4° | 109.4° |
| H10 | C8 | H12 | 109.5° | 109.5° |
| H11 | C8 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C10 | 173.0° | 173.0° |
| C1 | C2 | C3 | RU | 121.1° | 121.1° |
| C1 | C2 | C10 | RU | 120.1° | 120.1° |
| C1 | C2 | C3 | C4 | 176.5° | 176.5° |
| C1 | C2 | RU | C4 | 143.8° | 143.8° |
| C1 | C2 | RU | C5 | 180.0° | 180.0° |
| C1 | C2 | C10 | C9 | 175.9° | 175.9° |
| C1 | C2 | RU | C9 | 142.1° | 142.1° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H5 | 21.3° | 21.3° |
| C1 | C2 | C10 | H14 | 18.6° | 18.6° |
| C3 | C2 | C10 | RU | 53.0° | 53.0° |
| C2 | C3 | C4 | RU | 54.3° | 54.3° |
| C2 | C3 | C4 | H5 | 155.1° | 155.1° |
| C2 | C3 | RU | H5 | 113.9° | 113.9° |
| C2 | C3 | C4 | C5 | 4.7° | 4.7° |
| C2 | C3 | RU | C5 | 104.5° | 104.5° |
| C3 | C2 | C10 | C9 | 2.9° | 2.9° |
| C2 | C3 | RU | C9 | 65.9° | 65.9° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | H2 | 60.0° | 60.0° |
| C3 | C2 | C1 | H3 | 60.0° | 60.0° |
| C2 | C3 | C4 | H4 | 153.0° | 153.0° |
| C3 | C2 | C10 | H14 | 154.5° | 154.5° |
| C10 | C2 | C3 | C4 | 3.5° | 3.5° |
| C2 | C10 | RU | C4 | 64.8° | 64.8° |
| C2 | C10 | C9 | C5 | 3.5° | 3.5° |
| C2 | C10 | RU | C5 | 102.1° | 102.1° |
| C2 | C10 | C9 | RU | 56.4° | 56.4° |
| C2 | C10 | C9 | H14 | 157.2° | 157.2° |
| C2 | C10 | RU | H14 | 114.6° | 114.6° |
| C10 | C2 | C1 | H1 | 6.9° | 6.9° |
| C10 | C2 | C1 | H2 | 113.1° | 113.1° |
| C10 | C2 | C1 | H3 | 126.9° | 126.9° |
| C10 | C2 | C3 | H5 | 151.7° | 151.7° |
| C2 | C10 | C9 | H13 | 156.1° | 156.1° |
| C2 | RU | C5 | C4 | 63.4° | 63.4° |
| C2 | RU | C4 | C9 | 74.2° | 74.2° |
| C2 | RU | C5 | C6 | 179.9° | 179.9° |
| C2 | RU | C9 | C5 | 104.4° | 104.4° |
| RU | C2 | C1 | H1 | 91.5° | 91.5° |
| RU | C2 | C1 | H2 | 28.5° | 28.5° |
| RU | C2 | C1 | H3 | 148.5° | 148.5° |
| C2 | RU | C4 | H4 | 141.9° | 141.9° |
| C2 | RU | C9 | H13 | 143.6° | 143.6° |
| C4 | C3 | RU | H5 | 114.6° | 114.6° |
| C3 | C4 | C5 | RU | 49.9° | 49.9° |
| C3 | C4 | C5 | H4 | 148.3° | 148.3° |
| C3 | C4 | RU | H4 | 112.1° | 112.1° |
| C3 | C4 | C5 | C6 | 175.5° | 175.5° |
| C3 | C4 | C5 | C9 | 5.2° | 5.2° |
| C3 | C4 | RU | C9 | 104.0° | 104.0° |
| C3 | C4 | RU | C10 | 67.0° | 67.0° |
| C3 | RU | C5 | C6 | 143.1° | 143.1° |
| C3 | RU | C9 | C5 | 67.3° | 67.3° |
| C3 | RU | C5 | C10 | 74.3° | 74.3° |
| C3 | RU | C10 | C9 | 102.0° | 102.0° |
| C3 | RU | C10 | H14 | 143.0° | 143.0° |
| C3 | RU | C9 | H13 | 179.3° | 179.3° |
| C5 | C4 | RU | H4 | 111.8° | 111.8° |
| C4 | C5 | C6 | C9 | 179.3° | 179.3° |
| C4 | C5 | C6 | RU | 92.6° | 92.6° |
| C4 | C5 | C9 | RU | 57.0° | 57.0° |
| C4 | C5 | C6 | C7 | 62.3° | 62.3° |
| C4 | C5 | C6 | C8 | 63.9° | 63.9° |
| C4 | C5 | C9 | C10 | 4.6° | 4.6° |
| C4 | C5 | RU | C10 | 101.0° | 101.0° |
| C4 | C5 | C6 | H6 | 178.9° | 178.9° |
| C5 | C4 | C3 | H5 | 150.4° | 150.4° |
| C4 | C5 | C9 | H13 | 157.5° | 157.5° |
| C4 | RU | C10 | C9 | 65.5° | 65.5° |
| C4 | RU | C10 | H14 | 179.4° | 179.4° |
| C4 | RU | C9 | H13 | 143.0° | 143.0° |
| C6 | C5 | C9 | RU | 123.6° | 123.6° |
| C5 | C6 | C7 | C8 | 127.1° | 127.1° |
| C5 | C6 | C7 | H6 | 116.8° | 116.8° |
| C5 | C6 | C8 | H6 | 117.3° | 117.3° |
| C6 | C5 | C9 | C10 | 176.0° | 176.0° |
| C6 | C5 | RU | C10 | 142.6° | 142.6° |
| C5 | C6 | C7 | H7 | 180.0° | 180.0° |
| C5 | C6 | C7 | H8 | 60.0° | 60.0° |
| C5 | C6 | C7 | H9 | 60.0° | 60.0° |
| C5 | C6 | C8 | H10 | 180.0° | 180.0° |
| C5 | C6 | C8 | H11 | 60.0° | 60.0° |
| C5 | C6 | C8 | H12 | 60.0° | 60.0° |
| C6 | C5 | C4 | H4 | 27.2° | 27.2° |
| C6 | C5 | C9 | H13 | 23.2° | 23.2° |
| C9 | C5 | C6 | C7 | 118.3° | 118.3° |
| C9 | C5 | C6 | C8 | 115.4° | 115.4° |
| C5 | C9 | C10 | RU | 52.8° | 52.8° |
| C5 | C9 | C10 | H13 | 152.6° | 152.6° |
| C5 | C9 | RU | H13 | 112.0° | 112.0° |
| C9 | C5 | C6 | H6 | 1.7° | 1.7° |
| C9 | C5 | C4 | H4 | 153.5° | 153.5° |
| C5 | C9 | C10 | H14 | 153.7° | 153.7° |
| RU | C5 | C6 | C7 | 30.3° | 30.3° |
| RU | C5 | C6 | C8 | 156.5° | 156.5° |
| RU | C5 | C6 | H6 | 86.3° | 86.3° |
| C5 | RU | C3 | H5 | 141.6° | 141.6° |
| C5 | RU | C10 | H14 | 143.3° | 143.3° |
| C7 | C6 | C8 | H6 | 116.1° | 116.1° |
| C6 | C7 | H7 | H8 | 120.0° | 120.0° |
| C6 | C7 | H7 | H9 | 120.0° | 120.0° |
| C6 | C7 | H8 | H9 | 120.0° | 120.0° |
| C7 | C6 | C8 | H10 | 53.4° | 53.4° |
| C7 | C6 | C8 | H11 | 173.3° | 173.3° |
| C7 | C6 | C8 | H12 | 66.7° | 66.7° |
| C8 | C6 | C7 | H7 | 52.9° | 52.9° |
| C8 | C6 | C7 | H8 | 67.1° | 67.1° |
| C8 | C6 | C7 | H9 | 172.9° | 172.9° |
| C6 | C8 | H10 | H11 | 120.0° | 120.0° |
| C6 | C8 | H10 | H12 | 120.0° | 120.0° |
| C6 | C8 | H11 | H12 | 120.0° | 120.0° |
| C10 | C9 | RU | H13 | 113.1° | 113.1° |
| C9 | C10 | RU | H14 | 115.0° | 115.0° |
| C9 | RU | C4 | H4 | 143.9° | 143.9° |
| C9 | RU | C3 | H5 | 179.8° | 179.8° |
| C10 | RU | C4 | H4 | 179.2° | 179.2° |
| C10 | RU | C3 | H5 | 142.5° | 142.5° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H6 | C6 | C7 | H7 | 63.2° | 63.2° |
| H6 | C6 | C7 | H8 | 176.8° | 176.8° |
| H6 | C6 | C7 | H9 | 56.8° | 56.8° |
| H6 | C6 | C8 | H10 | 62.7° | 62.7° |
| H6 | C6 | C8 | H11 | 57.3° | 57.3° |
| H6 | C6 | C8 | H12 | 177.3° | 177.3° |
| H7 | C7 | H8 | H9 | 120.0° | 120.0° |
| H10 | C8 | H11 | H12 | 120.0° | 120.0° |
| H4 | C4 | C3 | H5 | 2.2° | 2.2° |
| H14 | C10 | C9 | H13 | 1.1° | 1.1° |
