A1L8I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | N4 | sing | 1.47Å | 1.47Å | |
| C17 | C16 | sing | 1.54Å | 1.53Å | |
| N4 | C18 | sing | 1.35Å | 1.32Å | |
| C16 | C15 | sing | 1.55Å | 1.54Å | |
| C18 | O2 | doub | 1.21Å | 1.18Å | |
| C18 | C15 | sing | 1.51Å | 1.51Å | |
| O3 | C19 | sing | 1.43Å | 1.44Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C19 | sing | 1.53Å | 1.58Å | |
| C13 | N3 | sing | 1.47Å | 1.47Å | |
| N3 | H1 | sing | 1.01Å | 1.00Å | |
| N3 | H21 | sing | 1.01Å | 1.00Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H3 | sing | 1.09Å | 1.10Å | |
| C19 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| N4 | H30 | sing | 0.97Å | 1.00Å | |
| O3 | H33 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C17 | C16 | 105.6° | 105.5° |
| C17 | N4 | C18 | 113.1° | 111.3° |
| N4 | C17 | H29 | 110.4° | 110.3° |
| N4 | C17 | H28 | 110.4° | 110.2° |
| C17 | N4 | H30 | 123.5° | 124.3° |
| C17 | C16 | C15 | 104.2° | 101.7° |
| C17 | C16 | H27 | 110.8° | 110.9° |
| C17 | C16 | H26 | 110.8° | 111.0° |
| C16 | C17 | H29 | 110.4° | 110.2° |
| C16 | C17 | H28 | 110.5° | 110.3° |
| N4 | C18 | O2 | 126.6° | 125.1° |
| N4 | C18 | C15 | 109.2° | 110.0° |
| C18 | N4 | H30 | 123.5° | 124.3° |
| C16 | C15 | C18 | 105.5° | 104.3° |
| C16 | C15 | C14 | 122.9° | 110.5° |
| C16 | C15 | H25 | 104.0° | 110.5° |
| C15 | C16 | H27 | 110.8° | 110.9° |
| C15 | C16 | H26 | 110.8° | 111.0° |
| O2 | C18 | C15 | 124.0° | 124.9° |
| C18 | C15 | C14 | 114.1° | 110.5° |
| C18 | C15 | H25 | 104.3° | 110.4° |
| O3 | C19 | C13 | 111.4° | 109.5° |
| O3 | C19 | H3 | 109.0° | 109.5° |
| O3 | C19 | H4 | 109.0° | 109.4° |
| C19 | O3 | H33 | 109.5° | 114.0° |
| C15 | C14 | C13 | 116.4° | 109.4° |
| C15 | C14 | H24 | 107.7° | 109.5° |
| C15 | C14 | H23 | 107.7° | 109.4° |
| C14 | C15 | H25 | 104.1° | 110.5° |
| C14 | C13 | C19 | 115.6° | 109.4° |
| C14 | C13 | N3 | 108.8° | 109.5° |
| C13 | C14 | H24 | 107.7° | 109.5° |
| C13 | C14 | H23 | 107.7° | 109.5° |
| C14 | C13 | H22 | 108.0° | 109.5° |
| C19 | C13 | N3 | 107.9° | 109.5° |
| C13 | C19 | H3 | 109.0° | 109.5° |
| C13 | C19 | H4 | 109.0° | 109.5° |
| C19 | C13 | H22 | 107.6° | 109.4° |
| C13 | N3 | H1 | 109.5° | 111.0° |
| C13 | N3 | H21 | 109.5° | 110.9° |
| N3 | C13 | H22 | 108.8° | 109.5° |
| H1 | N3 | H21 | 109.4° | 111.0° |
| H24 | C14 | H23 | 109.5° | 109.5° |
| H27 | C16 | H26 | 109.5° | 110.9° |
| H29 | C17 | H28 | 109.5° | 110.3° |
| H3 | C19 | H4 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C17 | C16 | H29 | 119.4° | 119.0° |
| N4 | C17 | C16 | H28 | 119.4° | 119.0° |
| C17 | N4 | C18 | H30 | 180.0° | 179.9° |
| N4 | C17 | C16 | C15 | 1.6° | 25.4° |
| C17 | N4 | C18 | O2 | 168.8° | 179.5° |
| C17 | N4 | C18 | C15 | 16.9° | 0.6° |
| N4 | C17 | C16 | H27 | 117.6° | 92.7° |
| N4 | C17 | C16 | H26 | 120.7° | 143.5° |
| N4 | C17 | H29 | H28 | 121.8° | 121.9° |
| C16 | C17 | N4 | C18 | 11.7° | 17.1° |
| C17 | C16 | C15 | H27 | 119.2° | 118.1° |
| C17 | C16 | C15 | H26 | 119.1° | 118.2° |
| C17 | C16 | C15 | C18 | 7.3° | 24.7° |
| C17 | C16 | C15 | C14 | 140.4° | 143.4° |
| C17 | C16 | C15 | H25 | 102.2° | 94.0° |
| C17 | C16 | H27 | H26 | 122.4° | 123.9° |
| C16 | C17 | H29 | H28 | 121.8° | 122.0° |
| C16 | C17 | N4 | H30 | 168.4° | 163.0° |
| N4 | C18 | C15 | C16 | 14.9° | 16.1° |
| N4 | C18 | O2 | C15 | 173.5° | 179.9° |
| N4 | C18 | C15 | C14 | 152.7° | 134.8° |
| N4 | C18 | C15 | H25 | 94.4° | 102.7° |
| C18 | N4 | C17 | H29 | 131.0° | 136.0° |
| C18 | N4 | C17 | H28 | 107.7° | 102.0° |
| C16 | C15 | C18 | O2 | 170.7° | 163.9° |
| C16 | C15 | C18 | C14 | 137.8° | 118.8° |
| C16 | C15 | C18 | H25 | 109.2° | 118.7° |
| C16 | C15 | C14 | H25 | 117.4° | 122.6° |
| C16 | C15 | C14 | C13 | 63.4° | 65.3° |
| C16 | C15 | C14 | H24 | 57.6° | 54.7° |
| C16 | C15 | C14 | H23 | 175.6° | 174.7° |
| C15 | C16 | H27 | H26 | 122.4° | 123.8° |
| C15 | C16 | C17 | H29 | 120.9° | 144.4° |
| C15 | C16 | C17 | H28 | 117.8° | 93.6° |
| O2 | C18 | C15 | C14 | 32.9° | 45.1° |
| O2 | C18 | C15 | H25 | 80.1° | 77.4° |
| O2 | C18 | N4 | H30 | 11.1° | 0.4° |
| C18 | C15 | C14 | H25 | 113.1° | 122.5° |
| C18 | C15 | C14 | C13 | 167.0° | 179.7° |
| C18 | C15 | C14 | H24 | 72.0° | 60.2° |
| C18 | C15 | C14 | H23 | 46.0° | 59.8° |
| C18 | C15 | C16 | H27 | 126.5° | 93.4° |
| C18 | C15 | C16 | H26 | 111.8° | 142.9° |
| C15 | C18 | N4 | H30 | 163.1° | 179.5° |
| O3 | C19 | C13 | C14 | 58.2° | 175.0° |
| O3 | C19 | C13 | H3 | 120.3° | 120.0° |
| O3 | C19 | C13 | H4 | 120.3° | 120.0° |
| O3 | C19 | C13 | N3 | 179.7° | 65.0° |
| O3 | C19 | H3 | H4 | 119.1° | 120.0° |
| O3 | C19 | C13 | H22 | 62.5° | 55.0° |
| C15 | C14 | C13 | H24 | 121.0° | 120.0° |
| C15 | C14 | C13 | H23 | 121.0° | 120.0° |
| C15 | C14 | C13 | C19 | 164.8° | 174.7° |
| C15 | C14 | C13 | N3 | 73.6° | 65.4° |
| C15 | C14 | H24 | H23 | 116.8° | 120.0° |
| C14 | C15 | C16 | H27 | 100.4° | 25.4° |
| C14 | C15 | C16 | H26 | 21.3° | 98.4° |
| C15 | C14 | C13 | H22 | 44.3° | 54.7° |
| C14 | C13 | C19 | N3 | 122.0° | 120.0° |
| C14 | C13 | C19 | H22 | 120.8° | 120.0° |
| C14 | C13 | N3 | H22 | 117.5° | 120.1° |
| C14 | C13 | N3 | H1 | 180.0° | 53.8° |
| C14 | C13 | N3 | H21 | 60.0° | 70.2° |
| C13 | C14 | H24 | H23 | 116.9° | 120.1° |
| C13 | C14 | C15 | H25 | 53.9° | 57.2° |
| C14 | C13 | C19 | H3 | 178.5° | 55.0° |
| C14 | C13 | C19 | H4 | 62.1° | 65.0° |
| C19 | C13 | N3 | H22 | 116.4° | 120.0° |
| C19 | C13 | N3 | H1 | 53.9° | 66.2° |
| C19 | C13 | N3 | H21 | 66.1° | 169.8° |
| C19 | C13 | C14 | H24 | 43.9° | 54.7° |
| C19 | C13 | C14 | H23 | 74.2° | 65.4° |
| C13 | C19 | H3 | H4 | 119.1° | 120.0° |
| C13 | C19 | O3 | H33 | 180.0° | 180.0° |
| C13 | N3 | H1 | H21 | 120.0° | 123.9° |
| N3 | C13 | C14 | H24 | 165.4° | 174.6° |
| N3 | C13 | C14 | H23 | 47.4° | 54.6° |
| N3 | C13 | C19 | H3 | 59.5° | 175.0° |
| N3 | C13 | C19 | H4 | 59.9° | 55.0° |
| H1 | N3 | C13 | H22 | 62.5° | 173.8° |
| H21 | N3 | C13 | H22 | 177.5° | 49.9° |
| H24 | C14 | C15 | H25 | 174.9° | 177.3° |
| H24 | C14 | C13 | H22 | 76.7° | 65.3° |
| H23 | C14 | C15 | H25 | 67.1° | 62.7° |
| H23 | C14 | C13 | H22 | 165.3° | 174.7° |
| H25 | C15 | C16 | H27 | 17.0° | 147.9° |
| H25 | C15 | C16 | H26 | 138.7° | 24.2° |
| H27 | C16 | C17 | H29 | 1.8° | 26.3° |
| H27 | C16 | C17 | H28 | 123.0° | 148.3° |
| H26 | C16 | C17 | H29 | 119.9° | 97.5° |
| H26 | C16 | C17 | H28 | 1.3° | 24.5° |
| H29 | C17 | N4 | H30 | 49.0° | 44.0° |
| H28 | C17 | N4 | H30 | 72.2° | 77.9° |
| H3 | C19 | C13 | H22 | 57.7° | 65.0° |
| H3 | C19 | O3 | H33 | 59.7° | 60.0° |
| H4 | C19 | C13 | H22 | 177.1° | 175.0° |
| H4 | C19 | O3 | H33 | 59.7° | 60.0° |
