12L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N19 | C20 | sing | 1.49Å | 1.47Å | |
| N19 | C21 | sing | 1.49Å | 1.46Å | |
| C20 | C23 | sing | 1.54Å | 1.49Å | |
| O28 | C27 | doub | 1.21Å | 1.23Å | |
| C27 | C21 | sing | 1.51Å | 1.52Å | |
| C21 | C22 | sing | 1.54Å | 1.47Å | |
| C23 | C22 | sing | 1.54Å | 1.49Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C22 | C24 | sing | 1.53Å | 1.50Å | |
| C26 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.48Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | 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 | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| N19 | H2 | sing | 1.01Å | 1.00Å | |
| C27 | OXT | sing | 1.34Å | 203.38Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | N19 | C21 | 111.7° | 104.2° |
| N19 | C20 | C23 | 102.4° | 104.6° |
| N19 | C20 | H26 | 111.2° | 110.4° |
| N19 | C20 | H27 | 111.2° | 110.4° |
| C20 | N19 | H2 | 108.9° | 111.0° |
| N19 | C21 | C27 | 108.0° | 110.4° |
| N19 | C21 | C22 | 107.6° | 104.6° |
| N19 | C21 | H28 | 109.4° | 110.4° |
| C21 | N19 | H2 | 108.9° | 111.0° |
| C20 | C23 | C22 | 111.0° | 105.0° |
| C20 | C23 | C24 | 114.1° | 118.1° |
| C23 | C20 | H26 | 111.2° | 110.4° |
| C23 | C20 | H27 | 111.2° | 110.4° |
| C20 | C23 | H30 | 119.6° | 117.7° |
| O28 | C27 | C21 | 120.3° | 120.0° |
| O28 | C27 | OXT | 130.7° | 120.0° |
| C27 | C21 | C22 | 113.7° | 110.4° |
| C27 | C21 | H28 | 108.7° | 110.5° |
| C21 | C27 | OXT | 56.4° | 120.0° |
| C21 | C22 | C23 | 104.7° | 105.1° |
| C21 | C22 | C24 | 125.5° | 118.1° |
| C22 | C21 | H28 | 109.3° | 110.4° |
| C21 | C22 | H29 | 116.6° | 117.7° |
| C22 | C23 | C24 | 59.4° | 59.7° |
| C23 | C22 | C24 | 62.1° | 59.7° |
| C23 | C22 | H29 | 116.3° | 123.1° |
| C22 | C23 | H30 | 119.8° | 121.7° |
| C23 | C24 | C22 | 58.6° | 60.6° |
| C23 | C24 | C26 | 120.2° | 117.4° |
| C23 | C24 | C25 | 117.1° | 117.4° |
| C24 | C23 | H30 | 118.6° | 120.2° |
| C22 | C24 | C26 | 118.2° | 117.4° |
| C22 | C24 | C25 | 116.3° | 117.5° |
| C24 | C22 | H29 | 116.1° | 119.5° |
| C26 | C24 | C25 | 114.9° | 115.5° |
| C24 | C26 | H34 | 109.5° | 109.5° |
| C24 | C26 | H35 | 109.5° | 109.4° |
| C24 | C26 | H36 | 109.5° | 109.4° |
| C24 | C25 | H31 | 109.5° | 109.4° |
| C24 | C25 | H32 | 109.5° | 109.4° |
| C24 | C25 | H33 | 109.4° | 109.4° |
| H26 | C20 | H27 | 109.5° | 110.5° |
| H31 | C25 | H32 | 109.4° | 109.5° |
| H31 | C25 | H33 | 109.5° | 109.5° |
| H32 | C25 | H33 | 109.5° | 109.5° |
| H34 | C26 | H35 | 109.4° | 109.5° |
| H34 | C26 | H36 | 109.5° | 109.5° |
| H35 | C26 | H36 | 109.5° | 109.4° |
| C27 | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | N19 | C21 | H2 | 120.3° | 119.5° |
| N19 | C20 | C23 | H26 | 118.8° | 118.8° |
| N19 | C20 | C23 | H27 | 118.8° | 118.7° |
| C20 | N19 | C21 | C27 | 118.1° | 158.3° |
| C20 | N19 | C21 | C22 | 5.1° | 39.5° |
| N19 | C20 | C23 | C22 | 13.1° | 23.8° |
| N19 | C20 | C23 | C24 | 77.9° | 87.2° |
| N19 | C20 | H26 | H27 | 123.2° | 122.3° |
| C20 | N19 | C21 | H28 | 123.7° | 79.3° |
| N19 | C20 | C23 | H30 | 133.1° | 115.2° |
| C21 | N19 | C20 | C23 | 4.8° | 39.5° |
| N19 | C21 | C27 | O28 | 54.5° | 18.6° |
| N19 | C21 | C27 | C22 | 119.4° | 115.2° |
| N19 | C21 | C27 | H28 | 118.6° | 122.4° |
| N19 | C21 | C22 | H28 | 118.7° | 118.8° |
| N19 | C21 | C22 | C23 | 12.7° | 23.9° |
| N19 | C21 | C22 | C24 | 53.3° | 87.3° |
| C21 | N19 | C20 | H26 | 114.1° | 79.3° |
| C21 | N19 | C20 | H27 | 123.6° | 158.3° |
| N19 | C21 | C22 | H29 | 142.8° | 117.3° |
| N19 | C21 | C27 | OXT | 66.7° | 161.5° |
| C20 | C23 | C22 | C21 | 16.3° | 0.0° |
| C20 | C23 | C22 | C24 | 106.3° | 114.1° |
| C20 | C23 | C22 | H30 | 146.0° | 137.0° |
| C20 | C23 | C24 | H30 | 149.4° | 157.0° |
| C20 | C23 | C24 | C26 | 5.4° | 16.0° |
| C20 | C23 | C24 | C25 | 153.2° | 160.7° |
| C23 | C20 | H26 | H27 | 123.3° | 122.4° |
| C20 | C23 | C22 | H29 | 146.7° | 138.5° |
| C23 | C20 | N19 | H2 | 115.6° | 80.0° |
| O28 | C27 | C21 | OXT | 121.2° | 180.0° |
| O28 | C27 | C21 | C22 | 64.9° | 96.6° |
| O28 | C27 | C21 | H28 | 173.1° | 141.0° |
| O28 | C27 | OXT | HXT | 90.0° | 0.1° |
| C27 | C21 | C22 | H28 | 121.7° | 122.4° |
| C27 | C21 | C22 | C23 | 107.0° | 142.7° |
| C27 | C21 | C22 | C24 | 172.9° | 153.9° |
| C27 | C21 | C22 | H29 | 23.1° | 1.5° |
| C27 | C21 | N19 | H2 | 2.2° | 38.7° |
| C21 | C27 | OXT | HXT | 90.0° | 180.0° |
| C21 | C22 | C23 | C24 | 122.6° | 114.1° |
| C21 | C22 | C23 | H29 | 130.3° | 138.5° |
| C21 | C22 | C24 | H29 | 164.0° | 155.0° |
| C21 | C22 | C24 | C26 | 21.3° | 15.9° |
| C21 | C22 | C24 | C25 | 164.3° | 160.7° |
| C21 | C22 | C23 | H30 | 129.7° | 137.0° |
| C22 | C21 | N19 | H2 | 125.4° | 80.0° |
| C22 | C21 | C27 | OXT | 173.9° | 83.4° |
| C22 | C23 | C24 | H30 | 109.5° | 111.4° |
| C23 | C22 | C24 | H29 | 107.4° | 113.3° |
| C23 | C22 | C24 | C26 | 110.0° | 107.6° |
| C22 | C23 | C24 | C25 | 105.7° | 107.7° |
| C22 | C23 | C20 | H26 | 105.8° | 95.0° |
| C22 | C23 | C20 | H27 | 131.9° | 142.6° |
| C23 | C22 | C21 | H28 | 131.4° | 94.9° |
| C23 | C24 | C26 | C25 | 148.4° | 145.3° |
| C24 | C23 | C20 | H26 | 41.0° | 31.6° |
| C24 | C23 | C20 | H27 | 163.3° | 154.1° |
| C23 | C24 | C25 | H31 | 180.0° | 129.3° |
| C23 | C24 | C25 | H32 | 60.0° | 110.7° |
| C23 | C24 | C25 | H33 | 60.0° | 9.3° |
| C23 | C24 | C26 | H34 | 180.0° | 16.0° |
| C23 | C24 | C26 | H35 | 60.0° | 104.0° |
| C23 | C24 | C26 | H36 | 60.0° | 136.0° |
| C22 | C24 | C26 | C25 | 143.5° | 145.5° |
| C24 | C22 | C21 | H28 | 65.4° | 31.5° |
| C22 | C24 | C25 | H31 | 113.6° | 60.0° |
| C22 | C24 | C25 | H32 | 126.4° | 180.0° |
| C22 | C24 | C25 | H33 | 6.4° | 59.9° |
| C22 | C24 | C26 | H34 | 111.9° | 53.2° |
| C22 | C24 | C26 | H35 | 8.1° | 173.3° |
| C22 | C24 | C26 | H36 | 128.1° | 66.8° |
| C26 | C24 | C22 | H29 | 142.7° | 139.1° |
| C26 | C24 | C23 | H30 | 144.0° | 141.0° |
| C26 | C24 | C25 | H31 | 30.5° | 85.4° |
| C26 | C24 | C25 | H32 | 89.4° | 34.6° |
| C26 | C24 | C25 | H33 | 150.6° | 154.6° |
| C24 | C26 | H34 | H35 | 120.0° | 120.0° |
| C24 | C26 | H34 | H36 | 120.0° | 120.0° |
| C24 | C26 | H35 | H36 | 120.0° | 119.9° |
| C25 | C24 | C22 | H29 | 0.3° | 5.7° |
| C25 | C24 | C23 | H30 | 3.8° | 3.7° |
| C24 | C25 | H31 | H32 | 120.0° | 120.0° |
| C24 | C25 | H31 | H33 | 120.0° | 119.9° |
| C24 | C25 | H32 | H33 | 120.0° | 120.0° |
| C25 | C24 | C26 | H34 | 31.6° | 161.3° |
| C25 | C24 | C26 | H35 | 151.6° | 41.3° |
| C25 | C24 | C26 | H36 | 88.4° | 78.6° |
| H26 | C20 | C23 | H30 | 108.1° | 126.0° |
| H26 | C20 | N19 | H2 | 125.6° | 161.1° |
| H27 | C20 | C23 | H30 | 14.2° | 3.5° |
| H27 | C20 | N19 | H2 | 3.3° | 38.8° |
| H28 | C21 | C22 | H29 | 98.5° | 124.0° |
| H28 | C21 | N19 | H2 | 116.0° | 161.2° |
| H28 | C21 | C27 | OXT | 51.9° | 39.1° |
| H29 | C22 | C23 | H30 | 0.6° | 1.5° |
| H31 | C25 | H32 | H33 | 120.0° | 120.1° |
| H34 | C26 | H35 | H36 | 120.0° | 120.1° |
