SLR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C6 | doub | 1.21Å | 1.34Å | |
| O8 | C1 | sing | 1.43Å | 1.45Å | |
| C1 | C5 | sing | 1.54Å | 1.59Å | |
| C1 | C2 | sing | 1.55Å | 1.57Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C9 | C2 | sing | 1.53Å | 1.55Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| N4 | C3 | sing | 1.34Å | 1.35Å | |
| C3 | O10 | doub | 1.21Å | 1.23Å | |
| C5 | N4 | sing | 1.47Å | 1.46Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C6 | C5 | sing | 1.51Å | 1.50Å | |
| C5 | C11 | sing | 1.53Å | 1.61Å | |
| O7 | C6 | sing | 1.34Å | 1.24Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| C11 | C13 | sing | 1.53Å | 1.59Å | |
| C11 | O12 | sing | 1.43Å | 1.46Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| O12 | HO12 | sing | 0.97Å | 0.95Å | |
| C14 | C13 | sing | 1.53Å | 1.57Å | |
| C13 | C15 | sing | 1.53Å | 1.56Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OXT | C6 | C5 | 116.0° | 120.0° |
| OXT | C6 | O7 | 121.2° | 120.0° |
| O8 | C1 | C5 | 110.4° | 111.0° |
| O8 | C1 | C2 | 112.8° | 110.9° |
| O8 | C1 | H1 | 105.6° | 110.9° |
| C1 | O8 | HO8 | 109.5° | 114.0° |
| C5 | C1 | C2 | 106.1° | 101.7° |
| C5 | C1 | H1 | 112.2° | 111.0° |
| C1 | C5 | N4 | 99.4° | 105.5° |
| C1 | C5 | C6 | 105.7° | 110.3° |
| C1 | C5 | C11 | 115.1° | 110.2° |
| C2 | C1 | H1 | 109.9° | 111.0° |
| C1 | C2 | C9 | 112.8° | 110.5° |
| C1 | C2 | C3 | 101.1° | 104.2° |
| C1 | C2 | H2 | 113.7° | 110.4° |
| C9 | C2 | C3 | 112.1° | 110.5° |
| C9 | C2 | H2 | 103.0° | 110.5° |
| C2 | C9 | H9 | 109.5° | 109.4° |
| C2 | C9 | H9A | 109.5° | 109.5° |
| C2 | C9 | H9B | 109.4° | 109.5° |
| C3 | C2 | H2 | 114.5° | 110.5° |
| C2 | C3 | N4 | 110.3° | 110.1° |
| C2 | C3 | O10 | 124.2° | 124.9° |
| N4 | C3 | O10 | 125.5° | 125.0° |
| C3 | N4 | C5 | 116.4° | 111.3° |
| C3 | N4 | HN4 | 121.8° | 124.3° |
| C5 | N4 | HN4 | 121.8° | 124.4° |
| N4 | C5 | C6 | 112.2° | 110.3° |
| N4 | C5 | C11 | 110.0° | 110.2° |
| C6 | C5 | C11 | 113.6° | 110.3° |
| C5 | C6 | O7 | 121.4° | 120.0° |
| C5 | C11 | C13 | 117.6° | 109.5° |
| C5 | C11 | O12 | 110.4° | 109.5° |
| C5 | C11 | H11 | 101.5° | 109.5° |
| C6 | O7 | HO7 | 109.5° | 117.0° |
| H9 | C9 | H9A | 109.5° | 109.5° |
| H9 | C9 | H9B | 109.5° | 109.5° |
| H9A | C9 | H9B | 109.5° | 109.5° |
| C13 | C11 | O12 | 104.0° | 109.4° |
| C13 | C11 | H11 | 108.2° | 109.5° |
| C11 | C13 | C14 | 116.5° | 109.5° |
| C11 | C13 | C15 | 111.0° | 109.5° |
| C11 | C13 | H13 | 102.4° | 109.5° |
| O12 | C11 | H11 | 115.6° | 109.5° |
| C11 | O12 | HO12 | 109.5° | 114.0° |
| C14 | C13 | C15 | 106.3° | 109.5° |
| C14 | C13 | H13 | 107.4° | 109.4° |
| C13 | C14 | H14 | 109.5° | 109.4° |
| C13 | C14 | H14A | 109.5° | 109.5° |
| C13 | C14 | H14B | 109.4° | 109.5° |
| C15 | C13 | H13 | 113.3° | 109.5° |
| C13 | C15 | H15 | 109.5° | 109.5° |
| C13 | C15 | H15A | 109.5° | 109.4° |
| C13 | C15 | H15B | 109.4° | 109.5° |
| H14 | C14 | H14A | 109.4° | 109.5° |
| H14 | C14 | H14B | 109.5° | 109.4° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| H15 | C15 | H15A | 109.5° | 109.5° |
| H15 | C15 | H15B | 109.5° | 109.4° |
| H15A | C15 | H15B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C6 | C5 | C1 | 82.7° | 95.6° |
| OXT | C6 | C5 | N4 | 169.9° | 148.3° |
| OXT | C6 | C5 | O7 | 166.7° | 179.9° |
| OXT | C6 | C5 | C11 | 44.4° | 26.3° |
| OXT | C6 | O7 | HO7 | 0.0° | 0.0° |
| O8 | C1 | C5 | C2 | 122.5° | 118.1° |
| O8 | C1 | C5 | H1 | 117.5° | 123.8° |
| O8 | C1 | C2 | H1 | 117.5° | 123.8° |
| O8 | C1 | C2 | C9 | 94.7° | 148.0° |
| O8 | C1 | C2 | C3 | 145.4° | 93.3° |
| O8 | C1 | C2 | H2 | 22.2° | 25.4° |
| O8 | C1 | C5 | N4 | 146.6° | 92.6° |
| O8 | C1 | C5 | C6 | 97.0° | 148.3° |
| O8 | C1 | C5 | C11 | 29.2° | 26.3° |
| C5 | C1 | C2 | H1 | 121.6° | 118.1° |
| C5 | C1 | C2 | C9 | 144.3° | 93.9° |
| C5 | C1 | C2 | C3 | 24.4° | 24.8° |
| C5 | C1 | C2 | H2 | 98.8° | 143.5° |
| C1 | C5 | N4 | C3 | 15.6° | 17.1° |
| C1 | C5 | N4 | C6 | 111.4° | 119.0° |
| C1 | C5 | N4 | C11 | 121.2° | 119.0° |
| C1 | C5 | N4 | HN4 | 164.3° | 163.0° |
| C1 | C5 | C6 | C11 | 127.1° | 122.0° |
| C1 | C5 | C6 | O7 | 110.6° | 84.3° |
| C5 | C1 | O8 | HO8 | 86.3° | 180.0° |
| C1 | C5 | C11 | C13 | 161.6° | 68.6° |
| C1 | C5 | C11 | O12 | 42.5° | 51.4° |
| C1 | C5 | C11 | H11 | 80.6° | 171.3° |
| C1 | C2 | C9 | C3 | 113.3° | 114.8° |
| C1 | C2 | C9 | H2 | 123.1° | 122.5° |
| C1 | C2 | C3 | H2 | 122.7° | 118.6° |
| C1 | C2 | C3 | N4 | 15.6° | 16.2° |
| C1 | C2 | C3 | O10 | 165.0° | 163.7° |
| C2 | C1 | C5 | N4 | 24.1° | 25.4° |
| C2 | C1 | C5 | C6 | 140.5° | 93.6° |
| C2 | C1 | C5 | C11 | 93.3° | 144.4° |
| C2 | C1 | O8 | HO8 | 32.3° | 67.7° |
| C1 | C2 | C9 | H9 | 10.8° | 60.0° |
| C1 | C2 | C9 | H9A | 130.8° | 180.0° |
| C1 | C2 | C9 | H9B | 109.2° | 60.0° |
| H1 | C1 | C2 | C9 | 22.7° | 24.2° |
| H1 | C1 | C2 | C3 | 97.2° | 142.9° |
| H1 | C1 | C2 | H2 | 139.6° | 98.4° |
| H1 | C1 | C5 | N4 | 95.9° | 143.5° |
| H1 | C1 | C5 | C6 | 20.5° | 24.5° |
| H1 | C1 | C5 | C11 | 146.7° | 97.5° |
| H1 | C1 | O8 | HO8 | 152.2° | 56.1° |
| C9 | C2 | C3 | H2 | 116.9° | 122.7° |
| C9 | C2 | C3 | N4 | 136.0° | 102.4° |
| C9 | C2 | C3 | O10 | 44.5° | 77.6° |
| C2 | C9 | H9 | H9A | 120.0° | 120.0° |
| C2 | C9 | H9 | H9B | 120.0° | 120.0° |
| C2 | C9 | H9A | H9B | 120.0° | 120.1° |
| C2 | C3 | N4 | O10 | 179.5° | 180.0° |
| C2 | C3 | N4 | C5 | 0.2° | 0.4° |
| C2 | C3 | N4 | HN4 | 179.8° | 179.6° |
| C3 | C2 | C9 | H9 | 102.6° | 54.7° |
| C3 | C2 | C9 | H9A | 17.4° | 65.2° |
| C3 | C2 | C9 | H9B | 137.4° | 174.7° |
| H2 | C2 | C3 | N4 | 107.1° | 134.9° |
| H2 | C2 | C3 | O10 | 72.4° | 45.1° |
| H2 | C2 | C9 | H9 | 133.8° | 177.4° |
| H2 | C2 | C9 | H9A | 106.1° | 57.5° |
| H2 | C2 | C9 | H9B | 13.8° | 62.6° |
| C3 | N4 | C5 | HN4 | 180.0° | 180.0° |
| C3 | N4 | C5 | C6 | 127.0° | 102.0° |
| C3 | N4 | C5 | C11 | 105.6° | 136.0° |
| O10 | C3 | N4 | C5 | 179.2° | 179.6° |
| O10 | C3 | N4 | HN4 | 0.8° | 0.4° |
| N4 | C5 | C6 | C11 | 125.5° | 122.0° |
| N4 | C5 | C6 | O7 | 3.2° | 31.8° |
| N4 | C5 | C11 | C13 | 50.3° | 47.4° |
| N4 | C5 | C11 | O12 | 68.8° | 167.4° |
| N4 | C5 | C11 | H11 | 168.1° | 72.6° |
| HN4 | N4 | C5 | C6 | 53.0° | 78.0° |
| HN4 | N4 | C5 | C11 | 74.5° | 44.0° |
| C5 | C6 | O7 | HO7 | 166.0° | 180.0° |
| C6 | C5 | C11 | C13 | 76.4° | 169.4° |
| C6 | C5 | C11 | O12 | 164.5° | 70.6° |
| C6 | C5 | C11 | H11 | 41.4° | 49.3° |
| C11 | C5 | C6 | O7 | 122.3° | 153.7° |
| C5 | C11 | C13 | O12 | 122.4° | 120.0° |
| C5 | C11 | C13 | H11 | 114.1° | 120.0° |
| C5 | C11 | O12 | H11 | 114.5° | 120.0° |
| C5 | C11 | O12 | HO12 | 65.2° | 60.0° |
| C5 | C11 | C13 | C14 | 57.5° | 66.6° |
| C5 | C11 | C13 | C15 | 179.4° | 173.4° |
| C5 | C11 | C13 | H13 | 59.4° | 53.3° |
| H9 | C9 | H9A | H9B | 120.0° | 120.0° |
| C13 | C11 | O12 | H11 | 118.5° | 120.0° |
| C13 | C11 | O12 | HO12 | 167.8° | 60.0° |
| C11 | C13 | C14 | C15 | 124.3° | 120.0° |
| C11 | C13 | C14 | H13 | 114.1° | 120.0° |
| C11 | C13 | C15 | H13 | 114.6° | 120.0° |
| C11 | C13 | C14 | H14 | 164.2° | 41.7° |
| C11 | C13 | C14 | H14A | 44.3° | 161.7° |
| C11 | C13 | C14 | H14B | 75.7° | 78.2° |
| C11 | C13 | C15 | H15 | 106.8° | 52.2° |
| C11 | C13 | C15 | H15A | 133.3° | 67.8° |
| C11 | C13 | C15 | H15B | 13.2° | 172.2° |
| O12 | C11 | C13 | C14 | 180.0° | 173.4° |
| O12 | C11 | C13 | C15 | 58.2° | 53.4° |
| O12 | C11 | C13 | H13 | 63.1° | 66.6° |
| H11 | C11 | O12 | HO12 | 49.3° | 180.0° |
| H11 | C11 | C13 | C14 | 56.6° | 53.4° |
| H11 | C11 | C13 | C15 | 65.3° | 66.6° |
| H11 | C11 | C13 | H13 | 173.5° | 173.4° |
| C14 | C13 | C15 | H13 | 117.8° | 119.9° |
| C13 | C14 | H14 | H14A | 120.0° | 120.0° |
| C13 | C14 | H14 | H14B | 120.0° | 120.0° |
| C13 | C14 | H14A | H14B | 120.0° | 120.1° |
| C14 | C13 | C15 | H15 | 125.7° | 67.8° |
| C14 | C13 | C15 | H15A | 5.7° | 172.2° |
| C14 | C13 | C15 | H15B | 114.4° | 52.2° |
| C15 | C13 | C14 | H14 | 71.5° | 78.3° |
| C15 | C13 | C14 | H14A | 168.6° | 41.7° |
| C15 | C13 | C14 | H14B | 48.5° | 161.8° |
| C13 | C15 | H15 | H15A | 120.0° | 120.0° |
| C13 | C15 | H15 | H15B | 120.0° | 120.0° |
| C13 | C15 | H15A | H15B | 120.0° | 120.0° |
| H13 | C13 | C14 | H14 | 50.1° | 161.7° |
| H13 | C13 | C14 | H14A | 69.8° | 78.3° |
| H13 | C13 | C14 | H14B | 170.2° | 41.8° |
| H13 | C13 | C15 | H15 | 7.9° | 172.3° |
| H13 | C13 | C15 | H15A | 112.1° | 52.3° |
| H13 | C13 | C15 | H15B | 127.8° | 67.8° |
| H14 | C14 | H14A | H14B | 120.1° | 119.9° |
| H15 | C15 | H15A | H15B | 120.0° | 120.0° |
