8CH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | S09 | sing | 1.81Å | 1.82Å | |
| C06 | O05 | sing | 1.45Å | 1.41Å | |
| O10 | S09 | doub | 1.42Å | 1.46Å | |
| S09 | O12 | doub | 1.42Å | 1.46Å | |
| S09 | N08 | sing | 1.66Å | 1.70Å | |
| O05 | C04 | sing | 1.34Å | 1.40Å | |
| O07 | C04 | doub | 1.21Å | 1.18Å | |
| C04 | C03 | sing | 1.51Å | 1.49Å | |
| N08 | C03 | sing | 1.47Å | 1.55Å | |
| N08 | C13 | sing | 1.47Å | 1.54Å | |
| C03 | C02 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C02 | C01 | sing | 1.53Å | 1.58Å | |
| C02 | C15 | sing | 1.53Å | 1.48Å | |
| C14 | C15 | sing | 1.53Å | 1.47Å | |
| 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 | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | S09 | O10 | 110.9° | 110.5° |
| C11 | S09 | O12 | 111.7° | 110.6° |
| C11 | S09 | N08 | 110.5° | 104.5° |
| S09 | C11 | H13 | 109.5° | 109.5° |
| S09 | C11 | H14 | 109.5° | 109.4° |
| S09 | C11 | H15 | 109.5° | 109.4° |
| C06 | O05 | C04 | 112.6° | 117.0° |
| O05 | C06 | H10 | 109.5° | 109.5° |
| O05 | C06 | H11 | 109.5° | 109.4° |
| O05 | C06 | H12 | 109.5° | 109.4° |
| O10 | S09 | O12 | 105.6° | 121.0° |
| O10 | S09 | N08 | 107.9° | 104.2° |
| O12 | S09 | N08 | 110.2° | 104.3° |
| S09 | N08 | C03 | 121.0° | 120.7° |
| S09 | N08 | C13 | 122.4° | 120.6° |
| O05 | C04 | O07 | 118.8° | 120.0° |
| O05 | C04 | C03 | 121.0° | 120.0° |
| O07 | C04 | C03 | 120.1° | 120.0° |
| C04 | C03 | N08 | 108.7° | 109.7° |
| C04 | C03 | C02 | 115.2° | 109.6° |
| C04 | C03 | H9 | 106.2° | 109.6° |
| C03 | N08 | C13 | 116.6° | 118.7° |
| N08 | C03 | C02 | 114.7° | 108.8° |
| N08 | C03 | H9 | 105.6° | 109.6° |
| N08 | C13 | C14 | 112.9° | 108.8° |
| N08 | C13 | H1 | 108.6° | 109.6° |
| N08 | C13 | H2 | 108.6° | 109.7° |
| C03 | C02 | C01 | 111.6° | 109.5° |
| C03 | C02 | C15 | 114.2° | 109.3° |
| C03 | C02 | H8 | 107.0° | 109.5° |
| C02 | C03 | H9 | 105.7° | 109.6° |
| C13 | C14 | C15 | 112.1° | 109.3° |
| C14 | C13 | H1 | 108.6° | 109.6° |
| C14 | C13 | H2 | 108.6° | 109.5° |
| C13 | C14 | H16 | 108.8° | 109.6° |
| C13 | C14 | H17 | 108.8° | 109.5° |
| C01 | C02 | C15 | 109.3° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.4° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C01 | C02 | H8 | 106.6° | 109.4° |
| C02 | C15 | C14 | 115.0° | 109.5° |
| C02 | C15 | H3 | 108.1° | 109.4° |
| C02 | C15 | H4 | 108.1° | 109.4° |
| C15 | C02 | H8 | 107.8° | 109.5° |
| C14 | C15 | H3 | 108.1° | 109.5° |
| C14 | C15 | H4 | 108.0° | 109.4° |
| C15 | C14 | H16 | 108.9° | 109.5° |
| C15 | C14 | H17 | 108.8° | 109.5° |
| H1 | C13 | H2 | 109.5° | 109.6° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H10 | C06 | H11 | 109.4° | 109.5° |
| H10 | C06 | H12 | 109.5° | 109.5° |
| H11 | C06 | H12 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.4° | 109.5° |
| H13 | C11 | H15 | 109.5° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| H16 | C14 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | S09 | O10 | O12 | 121.1° | 131.5° |
| C11 | S09 | O10 | N08 | 121.1° | 111.7° |
| C11 | S09 | O12 | N08 | 123.2° | 111.8° |
| C11 | S09 | N08 | C03 | 103.7° | 86.7° |
| C11 | S09 | N08 | C13 | 77.1° | 93.3° |
| S09 | C11 | H13 | H14 | 120.0° | 120.0° |
| S09 | C11 | H13 | H15 | 120.0° | 120.0° |
| S09 | C11 | H14 | H15 | 120.0° | 119.9° |
| C06 | O05 | C04 | O07 | 99.1° | 0.0° |
| C06 | O05 | C04 | C03 | 78.1° | 180.0° |
| O05 | C06 | H10 | H11 | 120.0° | 120.0° |
| O05 | C06 | H10 | H12 | 120.0° | 120.0° |
| O05 | C06 | H11 | H12 | 120.0° | 119.9° |
| O10 | S09 | O12 | N08 | 116.3° | 116.7° |
| O10 | S09 | N08 | C03 | 17.6° | 29.3° |
| O10 | S09 | N08 | C13 | 161.6° | 150.7° |
| O10 | S09 | C11 | H13 | 180.0° | 68.4° |
| O10 | S09 | C11 | H14 | 60.0° | 51.7° |
| O10 | S09 | C11 | H15 | 60.0° | 171.6° |
| O12 | S09 | N08 | C03 | 132.4° | 157.1° |
| O12 | S09 | N08 | C13 | 46.8° | 22.9° |
| O12 | S09 | C11 | H13 | 62.6° | 68.4° |
| O12 | S09 | C11 | H14 | 57.4° | 171.6° |
| O12 | S09 | C11 | H15 | 177.4° | 51.7° |
| S09 | N08 | C03 | C04 | 82.9° | 6.5° |
| S09 | N08 | C03 | C13 | 179.3° | 180.0° |
| S09 | N08 | C03 | C02 | 146.6° | 126.4° |
| S09 | N08 | C13 | C14 | 140.8° | 126.4° |
| S09 | N08 | C13 | H1 | 20.3° | 113.8° |
| S09 | N08 | C13 | H2 | 98.7° | 6.6° |
| S09 | N08 | C03 | H9 | 30.7° | 113.8° |
| N08 | S09 | C11 | H13 | 60.5° | 180.0° |
| N08 | S09 | C11 | H14 | 179.6° | 59.9° |
| N08 | S09 | C11 | H15 | 59.5° | 60.0° |
| O05 | C04 | O07 | C03 | 177.2° | 180.0° |
| O05 | C04 | C03 | N08 | 120.6° | 130.7° |
| O05 | C04 | C03 | C02 | 109.2° | 109.9° |
| O05 | C04 | C03 | H9 | 7.4° | 10.4° |
| C04 | O05 | C06 | H10 | 180.0° | 180.0° |
| C04 | O05 | C06 | H11 | 60.0° | 60.0° |
| C04 | O05 | C06 | H12 | 60.0° | 60.0° |
| O07 | C04 | C03 | N08 | 56.6° | 49.2° |
| O07 | C04 | C03 | C02 | 73.7° | 70.2° |
| O07 | C04 | C03 | H9 | 169.7° | 169.6° |
| C04 | C03 | N08 | C02 | 130.5° | 119.9° |
| C04 | C03 | N08 | H9 | 113.6° | 120.3° |
| C04 | C03 | N08 | C13 | 97.8° | 173.5° |
| C04 | C03 | C02 | H9 | 116.9° | 120.3° |
| C04 | C03 | C02 | C01 | 35.1° | 54.6° |
| C04 | C03 | C02 | C15 | 89.5° | 174.6° |
| C04 | C03 | C02 | H8 | 151.4° | 65.4° |
| N08 | C03 | C02 | H9 | 115.8° | 119.8° |
| C03 | N08 | C13 | C14 | 38.5° | 53.6° |
| N08 | C03 | C02 | C01 | 162.4° | 65.3° |
| N08 | C03 | C02 | C15 | 37.8° | 54.6° |
| C03 | N08 | C13 | H1 | 159.0° | 66.2° |
| C03 | N08 | C13 | H2 | 82.1° | 173.4° |
| N08 | C03 | C02 | H8 | 81.3° | 174.6° |
| C13 | N08 | C03 | C02 | 32.7° | 53.6° |
| N08 | C13 | C14 | H1 | 120.5° | 119.9° |
| N08 | C13 | C14 | H2 | 120.5° | 119.9° |
| N08 | C13 | C14 | C15 | 49.7° | 54.7° |
| N08 | C13 | H1 | H2 | 118.4° | 120.5° |
| C13 | N08 | C03 | H9 | 148.6° | 66.2° |
| N08 | C13 | C14 | H16 | 70.7° | 174.7° |
| N08 | C13 | C14 | H17 | 170.1° | 65.3° |
| C03 | C02 | C01 | C15 | 127.2° | 119.9° |
| C03 | C02 | C01 | H8 | 116.5° | 120.1° |
| C03 | C02 | C15 | H8 | 118.7° | 120.0° |
| C03 | C02 | C15 | C14 | 51.5° | 61.3° |
| C03 | C02 | C15 | H3 | 69.4° | 178.6° |
| C03 | C02 | C15 | H4 | 172.2° | 58.7° |
| C03 | C02 | C01 | H5 | 180.0° | 59.9° |
| C03 | C02 | C01 | H6 | 60.0° | 60.2° |
| C03 | C02 | C01 | H7 | 60.0° | 179.8° |
| C13 | C14 | C15 | C02 | 57.5° | 61.3° |
| C13 | C14 | C15 | H16 | 120.4° | 120.0° |
| C13 | C14 | C15 | H17 | 120.4° | 120.0° |
| C14 | C13 | H1 | H2 | 118.4° | 120.2° |
| C13 | C14 | C15 | H3 | 63.3° | 178.7° |
| C13 | C14 | C15 | H4 | 178.3° | 58.6° |
| C13 | C14 | H16 | H17 | 118.8° | 120.1° |
| C01 | C02 | C15 | H8 | 115.5° | 120.0° |
| C01 | C02 | C15 | C14 | 177.2° | 58.7° |
| C01 | C02 | C15 | H3 | 56.4° | 61.4° |
| C01 | C02 | C15 | H4 | 62.0° | 178.6° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C01 | C02 | C03 | H9 | 81.8° | 174.9° |
| C02 | C15 | C14 | H3 | 120.8° | 120.0° |
| C02 | C15 | C14 | H4 | 120.8° | 120.0° |
| C02 | C15 | H3 | H4 | 117.5° | 120.0° |
| C15 | C02 | C01 | H5 | 52.7° | 60.0° |
| C15 | C02 | C01 | H6 | 67.3° | 180.0° |
| C15 | C02 | C01 | H7 | 172.7° | 59.9° |
| C15 | C02 | C03 | H9 | 153.7° | 65.1° |
| C02 | C15 | C14 | H16 | 62.9° | 178.7° |
| C02 | C15 | C14 | H17 | 177.9° | 58.7° |
| C15 | C14 | C13 | H1 | 170.2° | 65.2° |
| C15 | C14 | C13 | H2 | 70.8° | 174.6° |
| C14 | C15 | H3 | H4 | 117.5° | 120.0° |
| C14 | C15 | C02 | H8 | 67.2° | 178.7° |
| C15 | C14 | H16 | H17 | 118.8° | 120.0° |
| H1 | C13 | C14 | H16 | 49.8° | 54.8° |
| H1 | C13 | C14 | H17 | 69.4° | 174.9° |
| H2 | C13 | C14 | H16 | 168.8° | 65.4° |
| H2 | C13 | C14 | H17 | 49.6° | 54.6° |
| H3 | C15 | C02 | H8 | 171.9° | 58.6° |
| H3 | C15 | C14 | H16 | 176.3° | 58.6° |
| H3 | C15 | C14 | H17 | 57.1° | 61.4° |
| H4 | C15 | C02 | H8 | 53.5° | 61.4° |
| H4 | C15 | C14 | H16 | 57.9° | 61.4° |
| H4 | C15 | C14 | H17 | 61.3° | 178.6° |
| H5 | C01 | H6 | H7 | 120.0° | 120.0° |
| H5 | C01 | C02 | H8 | 63.5° | 179.9° |
| H6 | C01 | C02 | H8 | 176.5° | 59.9° |
| H7 | C01 | C02 | H8 | 56.5° | 60.1° |
| H8 | C02 | C03 | H9 | 34.5° | 54.9° |
| H10 | C06 | H11 | H12 | 120.0° | 120.0° |
| H13 | C11 | H14 | H15 | 120.0° | 120.1° |
