2L9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C23 | sing | 1.55Å | 1.52Å | |
| C22 | N2 | sing | 1.48Å | 1.51Å | |
| C23 | C8 | sing | 1.54Å | 1.53Å | |
| N2 | C21 | sing | 1.46Å | 1.46Å | |
| C8 | C21 | sing | 1.52Å | 1.54Å | |
| C8 | C7 | sing | 1.46Å | 1.49Å | |
| C21 | C25 | sing | 1.48Å | 1.51Å | |
| C7 | C6 | doub | 1.28Å | 1.35Å | |
| O7 | C25 | doub | 1.21Å | 1.26Å | |
| C25 | N1 | sing | 1.34Å | 1.37Å | |
| C6 | C5 | sing | 1.50Å | 1.49Å | |
| N1 | C5 | sing | 1.47Å | 1.50Å | |
| N1 | C2 | sing | 1.46Å | 1.48Å | |
| C5 | C4 | sing | 1.51Å | 1.54Å | |
| OXT | C1 | sing | 1.34Å | 1.26Å | |
| C2 | C1 | sing | 1.51Å | 1.49Å | |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| C1 | O2 | doub | 1.21Å | 1.28Å | |
| C4 | C3 | doub | 1.30Å | 1.51Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C8 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C7 | H32 | sing | 1.08Å | 1.08Å | |
| C6 | H33 | sing | 1.08Å | 1.08Å | |
| C5 | H34 | sing | 1.09Å | 1.10Å | |
| C4 | H35 | sing | 1.08Å | 1.08Å | |
| C3 | H36 | sing | 1.08Å | 1.08Å | |
| C2 | H37 | sing | 1.09Å | 1.10Å | |
| N2 | H2 | sing | 1.01Å | 1.00Å | |
| OXT | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | N2 | 105.3° | 107.2° |
| C22 | C23 | C8 | 99.9° | 102.1° |
| C23 | C22 | H26 | 110.5° | 109.9° |
| C23 | C22 | H27 | 110.5° | 109.9° |
| C22 | C23 | H28 | 111.8° | 110.9° |
| C22 | C23 | H29 | 111.8° | 111.0° |
| C22 | N2 | C21 | 110.2° | 107.3° |
| N2 | C22 | H26 | 110.5° | 109.9° |
| N2 | C22 | H27 | 110.5° | 109.9° |
| C22 | N2 | H2 | 109.3° | 111.0° |
| C23 | C8 | C21 | 105.5° | 102.1° |
| C23 | C8 | C7 | 115.5° | 116.6° |
| C8 | C23 | H28 | 111.8° | 110.9° |
| C8 | C23 | H29 | 111.8° | 110.9° |
| C23 | C8 | H30 | 108.6° | 107.2° |
| N2 | C21 | C8 | 102.9° | 105.3° |
| N2 | C21 | C25 | 113.3° | 116.4° |
| N2 | C21 | H31 | 110.6° | 107.4° |
| C21 | N2 | H2 | 109.3° | 111.0° |
| C21 | C8 | C7 | 109.4° | 116.0° |
| C8 | C21 | C25 | 110.5° | 112.7° |
| C21 | C8 | H30 | 108.5° | 107.2° |
| C8 | C21 | H31 | 109.4° | 107.3° |
| C8 | C7 | C6 | 127.5° | 130.9° |
| C7 | C8 | H30 | 109.2° | 107.1° |
| C8 | C7 | H32 | 116.2° | 114.6° |
| C21 | C25 | O7 | 124.5° | 120.9° |
| C21 | C25 | N1 | 115.3° | 118.1° |
| C25 | C21 | H31 | 109.9° | 107.2° |
| C7 | C6 | C5 | 129.1° | 126.6° |
| C6 | C7 | H32 | 116.2° | 114.5° |
| C7 | C6 | H33 | 115.4° | 116.7° |
| O7 | C25 | N1 | 120.2° | 121.0° |
| C25 | N1 | C5 | 123.0° | 124.0° |
| C25 | N1 | C2 | 125.2° | 129.6° |
| C6 | C5 | N1 | 116.0° | 111.2° |
| C6 | C5 | C4 | 109.7° | 109.2° |
| C5 | C6 | H33 | 115.4° | 116.7° |
| C6 | C5 | H34 | 108.3° | 109.9° |
| C5 | N1 | C2 | 110.6° | 106.3° |
| N1 | C5 | C4 | 106.7° | 106.1° |
| N1 | C5 | H34 | 108.2° | 110.4° |
| N1 | C2 | C1 | 111.1° | 110.0° |
| N1 | C2 | C3 | 106.6° | 106.8° |
| N1 | C2 | H37 | 110.9° | 110.0° |
| C5 | C4 | C3 | 107.0° | 110.3° |
| C4 | C5 | H34 | 107.7° | 109.9° |
| C5 | C4 | H35 | 126.5° | 124.8° |
| OXT | C1 | C2 | 117.3° | 120.0° |
| OXT | C1 | O2 | 124.6° | 120.0° |
| C1 | OXT | H1 | 109.5° | 117.0° |
| C1 | C2 | C3 | 107.4° | 110.0° |
| C2 | C1 | O2 | 118.1° | 120.0° |
| C1 | C2 | H37 | 110.7° | 110.0° |
| C2 | C3 | C4 | 108.4° | 110.2° |
| C2 | C3 | H36 | 125.8° | 124.9° |
| C3 | C2 | H37 | 110.1° | 110.0° |
| C3 | C4 | H35 | 126.5° | 124.9° |
| C4 | C3 | H36 | 125.8° | 124.9° |
| H26 | C22 | H27 | 109.5° | 110.0° |
| H28 | C23 | H29 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | N2 | H26 | 119.3° | 119.4° |
| C23 | C22 | N2 | H27 | 119.4° | 119.4° |
| C22 | C23 | C8 | H28 | 118.4° | 118.2° |
| C22 | C23 | C8 | H29 | 118.4° | 118.2° |
| C23 | C22 | N2 | C21 | 16.6° | 2.8° |
| C22 | C23 | C8 | C21 | 40.3° | 36.4° |
| C22 | C23 | C8 | C7 | 161.2° | 163.9° |
| C23 | C22 | H26 | H27 | 121.9° | 121.2° |
| C22 | C23 | H28 | H29 | 124.5° | 123.7° |
| C22 | C23 | C8 | H30 | 75.9° | 76.1° |
| C23 | C22 | N2 | H2 | 136.7° | 118.6° |
| N2 | C22 | C23 | C8 | 34.2° | 21.4° |
| C22 | N2 | C21 | H2 | 120.1° | 121.4° |
| C22 | N2 | C21 | C8 | 8.7° | 26.5° |
| C22 | N2 | C21 | C25 | 128.1° | 152.2° |
| N2 | C22 | H26 | H27 | 121.9° | 121.1° |
| N2 | C22 | C23 | H28 | 84.2° | 96.7° |
| N2 | C22 | C23 | H29 | 152.6° | 139.6° |
| C22 | N2 | C21 | H31 | 108.0° | 87.7° |
| C23 | C8 | C21 | N2 | 30.9° | 39.7° |
| C23 | C8 | C21 | C7 | 124.9° | 127.9° |
| C23 | C8 | C21 | H30 | 116.2° | 112.5° |
| C23 | C8 | C7 | H30 | 122.6° | 120.0° |
| C23 | C8 | C21 | C25 | 152.2° | 167.6° |
| C23 | C8 | C7 | C6 | 145.7° | 133.4° |
| C8 | C23 | C22 | H26 | 85.2° | 140.8° |
| C8 | C23 | C22 | H27 | 153.5° | 98.0° |
| C8 | C23 | H28 | H29 | 124.5° | 123.6° |
| C23 | C8 | C21 | H31 | 86.7° | 74.6° |
| C23 | C8 | C7 | H32 | 34.3° | 46.5° |
| N2 | C21 | C8 | C25 | 121.3° | 128.0° |
| N2 | C21 | C8 | H31 | 117.5° | 114.2° |
| N2 | C21 | C8 | C7 | 155.7° | 167.6° |
| N2 | C21 | C25 | H31 | 124.3° | 120.3° |
| N2 | C21 | C25 | O7 | 6.3° | 6.0° |
| N2 | C21 | C25 | N1 | 173.5° | 174.0° |
| C21 | N2 | C22 | H26 | 102.7° | 116.6° |
| C21 | N2 | C22 | H27 | 136.0° | 122.2° |
| N2 | C21 | C8 | H30 | 85.3° | 72.8° |
| C21 | C8 | C7 | H30 | 118.5° | 119.6° |
| C8 | C21 | C25 | H31 | 120.9° | 117.9° |
| C21 | C8 | C7 | C6 | 26.9° | 13.1° |
| C8 | C21 | C25 | O7 | 108.5° | 115.8° |
| C8 | C21 | C25 | N1 | 71.6° | 64.1° |
| C21 | C8 | C23 | H28 | 78.2° | 81.8° |
| C21 | C8 | C23 | H29 | 158.7° | 154.6° |
| C21 | C8 | C7 | H32 | 153.1° | 166.8° |
| C8 | C21 | N2 | H2 | 111.4° | 94.9° |
| C7 | C8 | C21 | C25 | 83.0° | 64.5° |
| C8 | C7 | C6 | H32 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 0.6° | 2.4° |
| C7 | C8 | C23 | H28 | 42.8° | 45.7° |
| C7 | C8 | C23 | H29 | 80.4° | 77.9° |
| C7 | C8 | C21 | H31 | 38.2° | 53.3° |
| C8 | C7 | C6 | H33 | 179.4° | 177.5° |
| C21 | C25 | O7 | N1 | 179.8° | 180.0° |
| C21 | C25 | N1 | C5 | 10.6° | 11.0° |
| C21 | C25 | N1 | C2 | 177.3° | 170.9° |
| C25 | C21 | C8 | H30 | 36.0° | 55.1° |
| C25 | C21 | N2 | H2 | 8.0° | 30.8° |
| C7 | C6 | C5 | H33 | 180.0° | 179.9° |
| C7 | C6 | C5 | N1 | 32.5° | 44.9° |
| C7 | C6 | C5 | C4 | 153.4° | 161.6° |
| C6 | C7 | C8 | H30 | 91.6° | 106.5° |
| C7 | C6 | C5 | H34 | 89.2° | 77.7° |
| O7 | C25 | N1 | C5 | 169.2° | 169.0° |
| O7 | C25 | N1 | C2 | 2.6° | 9.1° |
| O7 | C25 | C21 | H31 | 130.6° | 126.3° |
| C25 | N1 | C5 | C6 | 60.7° | 68.0° |
| C25 | N1 | C5 | C2 | 168.4° | 178.5° |
| C25 | N1 | C5 | C4 | 176.8° | 173.4° |
| C25 | N1 | C2 | C1 | 68.7° | 67.2° |
| C25 | N1 | C2 | C3 | 174.6° | 173.5° |
| N1 | C25 | C21 | H31 | 49.2° | 53.8° |
| C25 | N1 | C5 | H34 | 61.1° | 54.3° |
| C25 | N1 | C2 | H37 | 54.8° | 54.1° |
| C6 | C5 | N1 | C4 | 122.5° | 118.6° |
| C6 | C5 | N1 | H34 | 121.8° | 122.3° |
| C6 | C5 | N1 | C2 | 130.9° | 113.5° |
| C6 | C5 | C4 | H34 | 117.7° | 120.7° |
| C6 | C5 | C4 | C3 | 133.2° | 116.4° |
| C5 | C6 | C7 | H32 | 179.4° | 177.5° |
| C6 | C5 | C4 | H35 | 46.8° | 63.6° |
| N1 | C5 | C4 | H34 | 116.0° | 119.4° |
| C5 | N1 | C2 | C1 | 123.2° | 114.5° |
| C5 | N1 | C2 | C3 | 6.5° | 4.9° |
| N1 | C5 | C4 | C3 | 6.9° | 3.5° |
| N1 | C5 | C6 | H33 | 147.5° | 135.0° |
| N1 | C5 | C4 | H35 | 173.2° | 176.5° |
| C5 | N1 | C2 | H37 | 113.3° | 124.3° |
| C2 | N1 | C5 | C4 | 8.4° | 5.1° |
| N1 | C2 | C1 | OXT | 30.0° | 178.8° |
| N1 | C2 | C1 | C3 | 116.2° | 117.4° |
| N1 | C2 | C1 | H37 | 123.6° | 121.3° |
| N1 | C2 | C3 | H37 | 120.3° | 119.3° |
| N1 | C2 | C1 | O2 | 150.5° | 1.2° |
| N1 | C2 | C3 | C4 | 2.0° | 2.9° |
| C2 | N1 | C5 | H34 | 107.3° | 124.2° |
| N1 | C2 | C3 | H36 | 178.0° | 177.1° |
| C5 | C4 | C3 | C2 | 3.0° | 0.4° |
| C5 | C4 | C3 | H35 | 180.0° | 180.0° |
| C4 | C5 | C6 | H33 | 26.6° | 18.3° |
| C5 | C4 | C3 | H36 | 176.9° | 179.6° |
| OXT | C1 | C2 | O2 | 179.5° | 180.0° |
| OXT | C1 | C2 | C3 | 86.2° | 61.5° |
| OXT | C1 | C2 | H37 | 153.6° | 59.9° |
| C1 | C2 | C3 | H37 | 120.6° | 121.4° |
| C1 | C2 | C3 | C4 | 121.1° | 116.4° |
| C1 | C2 | C3 | H36 | 58.9° | 63.6° |
| C2 | C1 | OXT | H1 | 179.5° | 180.0° |
| C3 | C2 | C1 | O2 | 93.3° | 118.5° |
| C2 | C3 | C4 | H36 | 180.0° | 180.0° |
| C2 | C3 | C4 | H35 | 177.0° | 179.6° |
| O2 | C1 | C2 | H37 | 26.9° | 120.1° |
| O2 | C1 | OXT | H1 | 0.0° | 0.0° |
| C3 | C4 | C5 | H34 | 109.1° | 122.9° |
| C4 | C3 | C2 | H37 | 118.3° | 122.2° |
| H26 | C22 | C23 | H28 | 156.4° | 22.6° |
| H26 | C22 | C23 | H29 | 33.3° | 101.0° |
| H26 | C22 | N2 | H2 | 17.4° | 122.0° |
| H27 | C22 | C23 | H28 | 35.1° | 143.9° |
| H27 | C22 | C23 | H29 | 88.0° | 20.2° |
| H27 | C22 | N2 | H2 | 103.9° | 0.8° |
| H28 | C23 | C8 | H30 | 165.7° | 165.7° |
| H29 | C23 | C8 | H30 | 42.6° | 42.1° |
| H30 | C8 | C21 | H31 | 157.1° | 172.9° |
| H30 | C8 | C7 | H32 | 88.4° | 73.5° |
| H31 | C21 | N2 | H2 | 131.9° | 150.9° |
| H32 | C7 | C6 | H33 | 0.6° | 2.5° |
| H33 | C6 | C5 | H34 | 90.7° | 102.3° |
| H34 | C5 | C4 | H35 | 70.9° | 57.1° |
| H35 | C4 | C3 | H36 | 3.1° | 0.4° |
| H36 | C3 | C2 | H37 | 61.7° | 57.8° |
