7C2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | N29 | sing | 1.47Å | 1.45Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| O23 | C08 | doub | 1.21Å | 1.19Å | |
| C08 | O07 | sing | 1.34Å | 1.38Å | |
| C24 | C06 | sing | 1.53Å | 1.52Å | |
| O07 | C06 | sing | 1.45Å | 1.39Å | |
| C06 | C05 | sing | 1.53Å | 1.51Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C04 | C03 | sing | 1.53Å | 1.51Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C03 | C02 | sing | 1.53Å | 1.52Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | 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 | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C28 | H38 | sing | 1.09Å | 1.10Å | |
| C28 | H39 | sing | 1.09Å | 1.10Å | |
| N29 | H42 | sing | 1.01Å | 1.00Å | |
| N29 | H13 | sing | 1.01Å | 1.00Å | |
| C08 | OXT | sing | 1.35Å | 1.44Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N29 | C28 | C27 | 106.2° | 109.5° |
| N29 | C28 | H38 | 110.3° | 109.4° |
| N29 | C28 | H39 | 110.3° | 109.5° |
| C28 | N29 | H42 | 109.5° | 111.0° |
| C28 | N29 | H13 | 109.5° | 111.0° |
| C28 | C27 | C26 | 110.5° | 109.5° |
| C28 | C27 | H36 | 109.3° | 109.5° |
| C28 | C27 | H37 | 109.2° | 109.5° |
| C27 | C28 | H38 | 110.3° | 109.5° |
| C27 | C28 | H39 | 110.3° | 109.5° |
| C27 | C26 | C25 | 113.2° | 109.5° |
| C27 | C26 | H34 | 108.5° | 109.5° |
| C27 | C26 | H35 | 108.5° | 109.4° |
| C26 | C27 | H36 | 109.2° | 109.5° |
| C26 | C27 | H37 | 109.2° | 109.5° |
| C26 | C25 | C24 | 110.1° | 109.5° |
| C26 | C25 | H32 | 109.3° | 109.5° |
| C26 | C25 | H33 | 109.3° | 109.5° |
| C25 | C26 | H34 | 108.5° | 109.5° |
| C25 | C26 | H35 | 108.5° | 109.5° |
| C25 | C24 | C06 | 110.7° | 109.5° |
| C25 | C24 | H30 | 109.1° | 109.5° |
| C25 | C24 | H31 | 109.2° | 109.5° |
| C24 | C25 | H32 | 109.3° | 109.5° |
| C24 | C25 | H33 | 109.3° | 109.4° |
| O23 | C08 | O07 | 122.6° | 120.0° |
| O23 | C08 | OXT | 123.3° | 120.0° |
| C08 | O07 | C06 | 117.9° | 117.0° |
| O07 | C08 | OXT | 114.2° | 120.0° |
| C24 | C06 | O07 | 106.5° | 109.5° |
| C24 | C06 | C05 | 112.4° | 109.5° |
| C24 | C06 | H12 | 110.1° | 109.4° |
| C06 | C24 | H30 | 109.2° | 109.5° |
| C06 | C24 | H31 | 109.1° | 109.4° |
| O07 | C06 | C05 | 105.6° | 109.5° |
| O07 | C06 | H12 | 112.0° | 109.4° |
| C06 | C05 | C04 | 110.4° | 109.4° |
| C06 | C05 | H10 | 109.2° | 109.5° |
| C06 | C05 | H11 | 109.2° | 109.4° |
| C05 | C06 | H12 | 110.2° | 109.5° |
| C05 | C04 | C03 | 110.3° | 109.4° |
| C05 | C04 | H8 | 109.2° | 109.5° |
| C05 | C04 | H9 | 109.3° | 109.5° |
| C04 | C05 | H10 | 109.2° | 109.5° |
| C04 | C05 | H11 | 109.3° | 109.5° |
| C04 | C03 | C02 | 113.0° | 109.5° |
| C04 | C03 | H6 | 108.6° | 109.5° |
| C04 | C03 | H7 | 108.6° | 109.5° |
| C03 | C04 | H8 | 109.2° | 109.5° |
| C03 | C04 | H9 | 109.3° | 109.4° |
| C01 | C02 | C03 | 111.6° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| C01 | C02 | H4 | 109.0° | 109.4° |
| C01 | C02 | H5 | 108.9° | 109.4° |
| C03 | C02 | H4 | 108.9° | 109.5° |
| C03 | C02 | H5 | 109.0° | 109.5° |
| C02 | C03 | H6 | 108.6° | 109.5° |
| C02 | C03 | H7 | 108.6° | 109.5° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C02 | H5 | 109.4° | 109.4° |
| H6 | C03 | H7 | 109.5° | 109.4° |
| H8 | C04 | H9 | 109.5° | 109.6° |
| H10 | C05 | H11 | 109.5° | 109.5° |
| H30 | C24 | H31 | 109.5° | 109.4° |
| H32 | C25 | H33 | 109.5° | 109.4° |
| H34 | C26 | H35 | 109.5° | 109.5° |
| H36 | C27 | H37 | 109.5° | 109.4° |
| H38 | C28 | H39 | 109.4° | 109.5° |
| H42 | N29 | H13 | 109.5° | 111.0° |
| C08 | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N29 | C28 | C27 | H38 | 119.5° | 119.9° |
| N29 | C28 | C27 | H39 | 119.5° | 120.0° |
| N29 | C28 | C27 | C26 | 64.1° | 180.0° |
| N29 | C28 | C27 | H36 | 175.7° | 60.0° |
| N29 | C28 | C27 | H37 | 56.0° | 60.0° |
| N29 | C28 | H38 | H39 | 121.5° | 120.0° |
| C28 | N29 | H42 | H13 | 120.0° | 124.0° |
| C28 | C27 | C26 | H36 | 120.2° | 120.0° |
| C28 | C27 | C26 | H37 | 120.1° | 120.0° |
| C28 | C27 | C26 | C25 | 157.6° | 180.0° |
| C28 | C27 | C26 | H34 | 37.1° | 60.0° |
| C28 | C27 | C26 | H35 | 81.8° | 60.0° |
| C28 | C27 | H36 | H37 | 119.5° | 120.0° |
| C27 | C28 | H38 | H39 | 121.5° | 120.0° |
| C27 | C28 | N29 | H42 | 180.0° | 56.0° |
| C27 | C28 | N29 | H13 | 60.0° | 180.0° |
| C27 | C26 | C25 | H34 | 120.5° | 120.0° |
| C27 | C26 | C25 | H35 | 120.5° | 120.0° |
| C27 | C26 | C25 | C24 | 169.4° | 180.0° |
| C27 | C26 | C25 | H32 | 70.5° | 60.0° |
| C27 | C26 | C25 | H33 | 49.3° | 60.0° |
| C27 | C26 | H34 | H35 | 118.3° | 120.0° |
| C26 | C27 | H36 | H37 | 119.5° | 120.0° |
| C26 | C27 | C28 | H38 | 55.4° | 60.0° |
| C26 | C27 | C28 | H39 | 176.4° | 60.0° |
| C26 | C25 | C24 | H32 | 120.1° | 120.1° |
| C26 | C25 | C24 | H33 | 120.1° | 120.0° |
| C26 | C25 | C24 | C06 | 76.3° | 180.0° |
| C26 | C25 | C24 | H30 | 43.9° | 59.9° |
| C26 | C25 | C24 | H31 | 163.5° | 60.0° |
| C26 | C25 | H32 | H33 | 119.7° | 120.0° |
| C25 | C26 | H34 | H35 | 118.3° | 120.0° |
| C25 | C26 | C27 | H36 | 82.2° | 60.0° |
| C25 | C26 | C27 | H37 | 37.5° | 60.0° |
| C25 | C24 | C06 | H30 | 120.2° | 120.1° |
| C25 | C24 | C06 | H31 | 120.2° | 120.0° |
| C25 | C24 | C06 | O07 | 66.7° | 65.0° |
| C25 | C24 | C06 | C05 | 178.1° | 175.0° |
| C25 | C24 | C06 | H12 | 54.9° | 54.9° |
| C25 | C24 | H30 | H31 | 119.4° | 120.0° |
| C24 | C25 | H32 | H33 | 119.7° | 119.9° |
| C24 | C25 | C26 | H34 | 48.8° | 60.0° |
| C24 | C25 | C26 | H35 | 70.1° | 60.1° |
| O23 | C08 | O07 | OXT | 179.3° | 180.0° |
| O23 | C08 | O07 | C06 | 8.5° | 0.0° |
| O23 | C08 | OXT | HXT | 0.0° | 0.0° |
| C08 | O07 | C06 | C24 | 128.4° | 149.9° |
| C08 | O07 | C06 | C05 | 111.9° | 90.0° |
| C08 | O07 | C06 | H12 | 8.0° | 30.0° |
| O07 | C08 | OXT | HXT | 179.2° | 180.0° |
| C24 | C06 | O07 | C05 | 119.7° | 120.1° |
| C24 | C06 | O07 | H12 | 120.4° | 119.9° |
| C24 | C06 | C05 | H12 | 123.2° | 120.0° |
| C24 | C06 | C05 | C04 | 172.1° | 175.0° |
| C24 | C06 | C05 | H10 | 52.0° | 65.0° |
| C24 | C06 | C05 | H11 | 67.7° | 55.0° |
| C06 | C24 | H30 | H31 | 119.4° | 119.9° |
| C06 | C24 | C25 | H32 | 163.6° | 59.9° |
| C06 | C24 | C25 | H33 | 43.8° | 60.0° |
| O07 | C06 | C05 | H12 | 121.1° | 120.0° |
| O07 | C06 | C05 | C04 | 72.2° | 65.0° |
| O07 | C06 | C05 | H10 | 167.7° | 55.1° |
| O07 | C06 | C05 | H11 | 48.0° | 175.1° |
| O07 | C06 | C24 | H30 | 173.1° | 55.1° |
| O07 | C06 | C24 | H31 | 53.5° | 175.0° |
| C06 | O07 | C08 | OXT | 172.2° | 180.0° |
| C06 | C05 | C04 | H10 | 120.1° | 120.0° |
| C06 | C05 | C04 | H11 | 120.1° | 119.9° |
| C06 | C05 | C04 | C03 | 155.9° | 180.0° |
| C06 | C05 | C04 | H8 | 84.0° | 60.0° |
| C06 | C05 | C04 | H9 | 35.7° | 60.1° |
| C06 | C05 | H10 | H11 | 119.6° | 120.0° |
| C05 | C06 | C24 | H30 | 58.0° | 65.0° |
| C05 | C06 | C24 | H31 | 61.7° | 55.0° |
| C05 | C04 | C03 | H8 | 120.1° | 120.0° |
| C05 | C04 | C03 | H9 | 120.1° | 119.9° |
| C05 | C04 | C03 | C02 | 177.0° | 180.0° |
| C05 | C04 | C03 | H6 | 56.5° | 60.0° |
| C05 | C04 | C03 | H7 | 62.5° | 60.0° |
| C05 | C04 | H8 | H9 | 119.6° | 120.0° |
| C04 | C05 | H10 | H11 | 119.6° | 120.0° |
| C04 | C05 | C06 | H12 | 48.9° | 55.0° |
| C04 | C03 | C02 | C01 | 89.3° | 180.0° |
| C04 | C03 | C02 | H6 | 120.5° | 120.0° |
| C04 | C03 | C02 | H7 | 120.5° | 120.0° |
| C04 | C03 | C02 | H4 | 31.0° | 60.0° |
| C04 | C03 | C02 | H5 | 150.4° | 60.0° |
| C04 | C03 | H6 | H7 | 118.4° | 120.0° |
| C03 | C04 | H8 | H9 | 119.6° | 120.0° |
| C03 | C04 | C05 | H10 | 35.7° | 60.0° |
| C03 | C04 | C05 | H11 | 84.0° | 60.0° |
| C01 | C02 | C03 | H4 | 120.3° | 120.0° |
| C01 | C02 | C03 | H5 | 120.3° | 120.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 119.0° | 119.9° |
| C01 | C02 | C03 | H6 | 31.2° | 60.0° |
| C01 | C02 | C03 | H7 | 150.2° | 60.0° |
| C03 | C02 | C01 | H1 | 180.0° | 60.0° |
| C03 | C02 | C01 | H2 | 60.0° | 180.0° |
| C03 | C02 | C01 | H3 | 60.0° | 60.0° |
| C03 | C02 | H4 | H5 | 119.0° | 120.0° |
| C02 | C03 | H6 | H7 | 118.4° | 120.0° |
| C02 | C03 | C04 | H8 | 62.9° | 60.0° |
| C02 | C03 | C04 | H9 | 56.8° | 60.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 59.7° | 180.0° |
| H1 | C01 | C02 | H5 | 59.7° | 60.1° |
| H2 | C01 | C02 | H4 | 60.3° | 59.9° |
| H2 | C01 | C02 | H5 | 179.6° | 60.0° |
| H3 | C01 | C02 | H4 | 179.7° | 60.1° |
| H3 | C01 | C02 | H5 | 60.4° | 180.0° |
| H4 | C02 | C03 | H6 | 151.6° | 180.0° |
| H4 | C02 | C03 | H7 | 89.5° | 60.0° |
| H5 | C02 | C03 | H6 | 89.1° | 60.0° |
| H5 | C02 | C03 | H7 | 29.9° | NaN° |
| H6 | C03 | C04 | H8 | 176.6° | 180.0° |
| H6 | C03 | C04 | H9 | 63.7° | 60.0° |
| H7 | C03 | C04 | H8 | 57.6° | 60.0° |
| H7 | C03 | C04 | H9 | 177.3° | 179.9° |
| H8 | C04 | C05 | H10 | 155.8° | 180.0° |
| H8 | C04 | C05 | H11 | 36.1° | 59.9° |
| H9 | C04 | C05 | H10 | 84.4° | 59.9° |
| H9 | C04 | C05 | H11 | 155.9° | 180.0° |
| H10 | C05 | C06 | H12 | 71.2° | 175.0° |
| H11 | C05 | C06 | H12 | 169.1° | 65.0° |
| H12 | C06 | C24 | H30 | 65.3° | 175.0° |
| H12 | C06 | C24 | H31 | 175.1° | 65.1° |
| H30 | C24 | C25 | H32 | 76.2° | 180.0° |
| H30 | C24 | C25 | H33 | 164.0° | 60.1° |
| H31 | C24 | C25 | H32 | 43.4° | 60.0° |
| H31 | C24 | C25 | H33 | 76.4° | 180.0° |
| H32 | C25 | C26 | H34 | 168.9° | 180.0° |
| H32 | C25 | C26 | H35 | 50.0° | 60.0° |
| H33 | C25 | C26 | H34 | 71.3° | 60.0° |
| H33 | C25 | C26 | H35 | 169.8° | 180.0° |
| H34 | C26 | C27 | H36 | 157.3° | 180.0° |
| H34 | C26 | C27 | H37 | 83.0° | 60.0° |
| H35 | C26 | C27 | H36 | 38.3° | 60.0° |
| H35 | C26 | C27 | H37 | 158.0° | 180.0° |
| H36 | C27 | C28 | H38 | 64.8° | 180.0° |
| H36 | C27 | C28 | H39 | 56.2° | 60.0° |
| H37 | C27 | C28 | H38 | 175.5° | 60.0° |
| H37 | C27 | C28 | H39 | 63.5° | 180.0° |
| H38 | C28 | N29 | H42 | 60.5° | 64.0° |
| H38 | C28 | N29 | H13 | 59.5° | 60.0° |
| H39 | C28 | N29 | H42 | 60.5° | 176.0° |
| H39 | C28 | N29 | H13 | 179.5° | 60.0° |
