8IA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | N01 | sing | 1.47Å | 1.45Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| N01 | C06 | sing | 1.47Å | 1.47Å | |
| N01 | C07 | sing | 1.47Å | 1.45Å | |
| C06 | C01 | sing | 1.53Å | 1.53Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | 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 | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | N01 | C06 | 110.3° | 111.0° |
| C08 | N01 | C07 | 109.4° | 111.0° |
| N01 | C08 | H16 | 109.5° | 109.5° |
| N01 | C08 | H17 | 109.5° | 109.5° |
| N01 | C08 | H18 | 109.5° | 109.4° |
| C04 | C05 | C06 | 112.0° | 109.5° |
| C05 | C04 | C03 | 112.2° | 109.5° |
| C05 | C04 | H8 | 108.8° | 109.5° |
| C05 | C04 | H9 | 108.8° | 109.5° |
| C04 | C05 | H10 | 108.8° | 109.4° |
| C04 | C05 | H11 | 108.9° | 109.5° |
| C05 | C06 | N01 | 109.1° | 109.5° |
| C05 | C06 | C01 | 111.9° | 109.4° |
| C06 | C05 | H10 | 108.8° | 109.5° |
| C06 | C05 | H11 | 108.8° | 109.5° |
| C05 | C06 | H12 | 108.4° | 109.5° |
| C04 | C03 | C02 | 112.0° | 109.4° |
| C04 | C03 | H6 | 108.9° | 109.5° |
| C04 | C03 | H7 | 108.9° | 109.5° |
| C03 | C04 | H8 | 108.8° | 109.5° |
| C03 | C04 | H9 | 108.8° | 109.4° |
| C03 | C02 | C01 | 111.9° | 109.5° |
| C03 | C02 | H4 | 108.9° | 109.5° |
| C03 | C02 | H5 | 108.9° | 109.4° |
| C02 | C03 | H6 | 108.8° | 109.5° |
| C02 | C03 | H7 | 108.8° | 109.5° |
| C06 | N01 | C07 | 109.8° | 111.0° |
| N01 | C06 | C01 | 109.6° | 109.4° |
| N01 | C06 | H12 | 109.3° | 109.5° |
| N01 | C07 | H13 | 109.5° | 109.5° |
| N01 | C07 | H14 | 109.4° | 109.5° |
| N01 | C07 | H15 | 109.4° | 109.5° |
| C06 | C01 | C02 | 112.0° | 109.5° |
| C06 | C01 | H1 | 108.8° | 109.5° |
| C06 | C01 | H2 | 108.8° | 109.5° |
| C01 | C06 | H12 | 108.4° | 109.5° |
| C02 | C01 | H1 | 108.8° | 109.5° |
| C02 | C01 | H2 | 108.8° | 109.5° |
| C01 | C02 | H4 | 108.9° | 109.5° |
| C01 | C02 | H5 | 108.8° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H4 | C02 | H5 | 109.5° | 109.4° |
| H6 | C03 | H7 | 109.5° | 109.4° |
| H8 | C04 | H9 | 109.5° | 109.5° |
| H10 | C05 | H11 | 109.5° | 109.5° |
| H13 | C07 | H14 | 109.5° | 109.5° |
| H13 | C07 | H15 | 109.5° | 109.4° |
| H14 | C07 | H15 | 109.5° | 109.5° |
| H16 | C08 | H17 | 109.5° | 109.5° |
| H16 | C08 | H18 | 109.5° | 109.5° |
| H17 | C08 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | N01 | C06 | C05 | 60.8° | 56.1° |
| C08 | N01 | C06 | C07 | 120.6° | 123.9° |
| C08 | N01 | C06 | C01 | 62.2° | 176.0° |
| C08 | N01 | C06 | H12 | 179.1° | 63.9° |
| C08 | N01 | C07 | H13 | 180.0° | 64.0° |
| C08 | N01 | C07 | H14 | 60.0° | 56.0° |
| C08 | N01 | C07 | H15 | 60.0° | 176.1° |
| N01 | C08 | H16 | H17 | 120.0° | 120.0° |
| N01 | C08 | H16 | H18 | 120.0° | 120.0° |
| N01 | C08 | H17 | H18 | 120.0° | 120.0° |
| C04 | C05 | C06 | H10 | 120.4° | 120.0° |
| C04 | C05 | C06 | H11 | 120.4° | 120.0° |
| C05 | C04 | C03 | H8 | 120.4° | 120.0° |
| C05 | C04 | C03 | H9 | 120.4° | 120.0° |
| C05 | C04 | C03 | C02 | 52.9° | 60.0° |
| C04 | C05 | C06 | N01 | 174.6° | 180.0° |
| C04 | C05 | C06 | C01 | 53.0° | 60.0° |
| C05 | C04 | C03 | H6 | 67.4° | 180.0° |
| C05 | C04 | C03 | H7 | 173.3° | 60.0° |
| C05 | C04 | H8 | H9 | 118.7° | 120.0° |
| C04 | C05 | H10 | H11 | 118.9° | 120.0° |
| C04 | C05 | C06 | H12 | 66.5° | 60.0° |
| C06 | C05 | C04 | C03 | 52.8° | 60.0° |
| C05 | C06 | N01 | C01 | 122.9° | 120.0° |
| C05 | C06 | N01 | H12 | 118.4° | 120.0° |
| C05 | C06 | N01 | C07 | 178.6° | 180.0° |
| C05 | C06 | C01 | H12 | 119.5° | 120.0° |
| C05 | C06 | C01 | C02 | 53.5° | 60.0° |
| C05 | C06 | C01 | H1 | 173.9° | 60.0° |
| C05 | C06 | C01 | H2 | 66.9° | 180.0° |
| C06 | C05 | C04 | H8 | 173.2° | 60.0° |
| C06 | C05 | C04 | H9 | 67.6° | 180.0° |
| C06 | C05 | H10 | H11 | 118.8° | 120.0° |
| C04 | C03 | C02 | H6 | 120.4° | 120.0° |
| C04 | C03 | C02 | H7 | 120.4° | 120.0° |
| C04 | C03 | C02 | C01 | 53.2° | 60.0° |
| C04 | C03 | C02 | H4 | 173.6° | 60.0° |
| C04 | C03 | C02 | H5 | 67.1° | 180.0° |
| C04 | C03 | H6 | H7 | 118.9° | 120.0° |
| C03 | C04 | H8 | H9 | 118.8° | 120.0° |
| C03 | C04 | C05 | H10 | 173.2° | 180.0° |
| C03 | C04 | C05 | H11 | 67.6° | 60.0° |
| C03 | C02 | C01 | C06 | 53.6° | 60.0° |
| C03 | C02 | C01 | H4 | 120.4° | 120.1° |
| C03 | C02 | C01 | H5 | 120.4° | 120.0° |
| C03 | C02 | C01 | H1 | 174.0° | 60.0° |
| C03 | C02 | C01 | H2 | 66.8° | 180.0° |
| C03 | C02 | H4 | H5 | 118.9° | 119.9° |
| C02 | C03 | H6 | H7 | 118.8° | 120.0° |
| C02 | C03 | C04 | H8 | 173.3° | 60.0° |
| C02 | C03 | C04 | H9 | 67.5° | 180.0° |
| N01 | C06 | C01 | H12 | 119.2° | 120.0° |
| N01 | C06 | C01 | C02 | 174.8° | 180.0° |
| N01 | C06 | C01 | H1 | 64.9° | 60.0° |
| N01 | C06 | C01 | H2 | 54.4° | 60.0° |
| N01 | C06 | C05 | H10 | 65.1° | 60.0° |
| N01 | C06 | C05 | H11 | 54.2° | 59.9° |
| C06 | N01 | C07 | H13 | 58.8° | 59.9° |
| C06 | N01 | C07 | H14 | 178.8° | 180.0° |
| C06 | N01 | C07 | H15 | 61.1° | 60.0° |
| C06 | N01 | C08 | H16 | 180.0° | 60.0° |
| C06 | N01 | C08 | H17 | 60.0° | 180.0° |
| C06 | N01 | C08 | H18 | 60.0° | 60.0° |
| C07 | N01 | C06 | C01 | 58.5° | 60.0° |
| C07 | N01 | C06 | H12 | 60.2° | 60.0° |
| N01 | C07 | H13 | H14 | 120.0° | 120.1° |
| N01 | C07 | H13 | H15 | 120.0° | 120.0° |
| N01 | C07 | H14 | H15 | 120.0° | 120.0° |
| C07 | N01 | C08 | H16 | 59.1° | 176.0° |
| C07 | N01 | C08 | H17 | 179.1° | 56.0° |
| C07 | N01 | C08 | H18 | 60.9° | 64.0° |
| C06 | C01 | C02 | H1 | 120.4° | 120.0° |
| C06 | C01 | C02 | H2 | 120.4° | 120.0° |
| C06 | C01 | H1 | H2 | 118.9° | 120.0° |
| C06 | C01 | C02 | H4 | 174.0° | 60.0° |
| C06 | C01 | C02 | H5 | 66.8° | 180.0° |
| C01 | C06 | C05 | H10 | 173.4° | 180.0° |
| C01 | C06 | C05 | H11 | 67.4° | 60.0° |
| C02 | C01 | H1 | H2 | 118.8° | 120.0° |
| C01 | C02 | H4 | H5 | 118.9° | 120.0° |
| C01 | C02 | C03 | H6 | 67.2° | 180.0° |
| C01 | C02 | C03 | H7 | 173.6° | 60.0° |
| C02 | C01 | C06 | H12 | 66.0° | 60.0° |
| H1 | C01 | C02 | H4 | 65.7° | 179.9° |
| H1 | C01 | C02 | H5 | 53.6° | 60.0° |
| H1 | C01 | C06 | H12 | 54.3° | 180.0° |
| H2 | C01 | C02 | H4 | 53.6° | 60.0° |
| H2 | C01 | C02 | H5 | 172.9° | 60.0° |
| H2 | C01 | C06 | H12 | 173.6° | 60.0° |
| H4 | C02 | C03 | H6 | 53.2° | 59.9° |
| H4 | C02 | C03 | H7 | 66.0° | 179.9° |
| H5 | C02 | C03 | H6 | 172.5° | 60.0° |
| H5 | C02 | C03 | H7 | 53.3° | 60.0° |
| H6 | C03 | C04 | H8 | 52.9° | 60.0° |
| H6 | C03 | C04 | H9 | 172.2° | 60.0° |
| H7 | C03 | C04 | H8 | 66.3° | 180.0° |
| H7 | C03 | C04 | H9 | 52.9° | 60.0° |
| H8 | C04 | C05 | H10 | 66.4° | 60.0° |
| H8 | C04 | C05 | H11 | 52.8° | 180.0° |
| H9 | C04 | C05 | H10 | 52.8° | 60.0° |
| H9 | C04 | C05 | H11 | 172.0° | 60.0° |
| H10 | C05 | C06 | H12 | 53.8° | 60.0° |
| H11 | C05 | C06 | H12 | 173.1° | 180.0° |
| H13 | C07 | H14 | H15 | 120.0° | 119.9° |
| H16 | C08 | H17 | H18 | 120.0° | 120.0° |
