021
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C14 | O32 | doub | 1.21Å | 1.23Å | |
| C15 | N16 | sing | 1.47Å | 1.45Å | |
| N16 | C17 | sing | 1.47Å | 1.48Å | |
| C21 | C17 | sing | 1.54Å | 1.55Å | |
| C21 | C20 | sing | 1.55Å | 1.54Å | |
| C17 | C18 | sing | 1.54Å | 1.56Å | |
| C20 | C19 | sing | 1.55Å | 1.55Å | |
| C18 | C19 | sing | 1.54Å | 1.55Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| N16 | HN16 | sing | 1.01Å | 1.00Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C14 | OXT | sing | 1.34Å | 32.12Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | O32 | 122.7° | 120.0° |
| C14 | C15 | N16 | 106.3° | 109.5° |
| C14 | C15 | H15 | 110.6° | 109.5° |
| C14 | C15 | H15A | 110.5° | 109.5° |
| C15 | C14 | OXT | 154.2° | 120.0° |
| O32 | C14 | OXT | 74.3° | 120.0° |
| C15 | N16 | C17 | 96.0° | 111.0° |
| N16 | C15 | H15 | 110.5° | 109.5° |
| N16 | C15 | H15A | 110.5° | 109.5° |
| C15 | N16 | HN16 | 114.2° | 111.0° |
| N16 | C17 | C21 | 112.9° | 110.0° |
| N16 | C17 | C18 | 113.6° | 110.1° |
| C17 | N16 | HN16 | 114.3° | 111.0° |
| N16 | C17 | H17 | 102.3° | 110.0° |
| C17 | C21 | C20 | 101.7° | 104.2° |
| C21 | C17 | C18 | 103.0° | 106.6° |
| C21 | C17 | H17 | 113.1° | 110.0° |
| C17 | C21 | H21 | 112.1° | 110.5° |
| C17 | C21 | H21A | 112.1° | 110.4° |
| C21 | C20 | C19 | 104.0° | 102.7° |
| C20 | C21 | H21 | 112.2° | 110.5° |
| C20 | C21 | H21A | 112.1° | 110.5° |
| C21 | C20 | H20 | 111.4° | 110.8° |
| C21 | C20 | H20A | 111.3° | 110.8° |
| C17 | C18 | C19 | 105.1° | 106.6° |
| C18 | C17 | H17 | 112.3° | 110.0° |
| C17 | C18 | H18 | 110.9° | 110.0° |
| C17 | C18 | H18A | 111.0° | 110.0° |
| C20 | C19 | C18 | 106.4° | 104.2° |
| C19 | C20 | H20 | 111.4° | 110.8° |
| C19 | C20 | H20A | 111.3° | 110.8° |
| C20 | C19 | H19 | 110.5° | 110.4° |
| C20 | C19 | H19A | 110.5° | 110.5° |
| C18 | C19 | H19 | 110.5° | 110.5° |
| C18 | C19 | H19A | 110.5° | 110.6° |
| C19 | C18 | H18 | 110.9° | 110.0° |
| C19 | C18 | H18A | 110.9° | 110.0° |
| H15 | C15 | H15A | 108.4° | 109.5° |
| H21 | C21 | H21A | 106.7° | 110.6° |
| H20 | C20 | H20A | 107.5° | 110.8° |
| H19 | C19 | H19A | 108.4° | 110.4° |
| H18 | C18 | H18A | 107.9° | 110.1° |
| C14 | OXT | HXT | 90.0° | 117.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | O32 | OXT | 158.5° | 179.7° |
| C14 | C15 | N16 | H15 | 120.0° | 120.0° |
| C14 | C15 | N16 | H15A | 120.0° | 120.0° |
| C14 | C15 | N16 | C17 | 76.7° | 180.0° |
| C14 | C15 | H15 | H15A | 121.3° | 120.0° |
| C14 | C15 | N16 | HN16 | 43.3° | 56.1° |
| C15 | C14 | OXT | HXT | 90.0° | 180.0° |
| O32 | C14 | C15 | N16 | 12.1° | 0.0° |
| O32 | C14 | C15 | H15 | 107.9° | 120.0° |
| O32 | C14 | C15 | H15A | 132.1° | 120.0° |
| O32 | C14 | OXT | HXT | 90.0° | 0.3° |
| C15 | N16 | C17 | HN16 | 120.0° | 124.0° |
| C15 | N16 | C17 | C21 | 57.6° | 87.8° |
| C15 | N16 | C17 | C18 | 174.4° | 155.0° |
| N16 | C15 | H15 | H15A | 121.3° | 120.0° |
| C15 | N16 | C17 | H17 | 64.3° | 33.6° |
| N16 | C15 | C14 | OXT | 138.0° | 179.7° |
| N16 | C17 | C21 | C18 | 123.0° | 119.3° |
| N16 | C17 | C21 | H17 | 115.6° | 121.4° |
| N16 | C17 | C21 | C20 | 166.4° | 142.9° |
| N16 | C17 | C18 | H17 | 115.6° | 121.4° |
| N16 | C17 | C18 | C19 | 151.5° | 119.3° |
| C17 | N16 | C15 | H15 | 163.3° | 60.0° |
| C17 | N16 | C15 | H15A | 43.3° | 60.0° |
| N16 | C17 | C21 | H21 | 46.4° | 24.2° |
| N16 | C17 | C21 | H21A | 73.6° | 98.4° |
| N16 | C17 | C18 | H18 | 88.5° | 121.4° |
| N16 | C17 | C18 | H18A | 31.5° | 0.0° |
| C17 | C21 | C20 | H21 | 120.0° | 118.7° |
| C17 | C21 | C20 | H21A | 120.0° | 118.6° |
| C21 | C17 | C18 | H17 | 122.0° | 119.3° |
| C17 | C21 | C20 | C19 | 41.4° | 37.9° |
| C21 | C17 | C18 | C19 | 29.0° | 0.0° |
| C21 | C17 | N16 | HN16 | 177.6° | 148.2° |
| C17 | C21 | H21 | H21A | 123.1° | 122.6° |
| C17 | C21 | C20 | H20 | 161.4° | 156.2° |
| C17 | C21 | C20 | H20A | 78.6° | 80.4° |
| C21 | C17 | C18 | H18 | 149.0° | 119.3° |
| C21 | C17 | C18 | H18A | 91.0° | 119.3° |
| C20 | C21 | C17 | C18 | 43.4° | 23.6° |
| C21 | C20 | C19 | H20 | 120.0° | 118.3° |
| C21 | C20 | C19 | H20A | 120.0° | 118.3° |
| C21 | C20 | C19 | C18 | 23.4° | 38.0° |
| C20 | C21 | C17 | H17 | 78.0° | 95.7° |
| C20 | C21 | H21 | H21A | 123.2° | 122.6° |
| C21 | C20 | H20 | H20A | 122.2° | 123.4° |
| C21 | C20 | C19 | H19 | 96.5° | 80.8° |
| C21 | C20 | C19 | H19A | 143.4° | 156.8° |
| C17 | C18 | C19 | C20 | 3.5° | 23.6° |
| C17 | C18 | C19 | H18 | 120.0° | 119.3° |
| C17 | C18 | C19 | H18A | 120.0° | 119.3° |
| C18 | C17 | N16 | HN16 | 65.6° | 31.0° |
| C18 | C17 | C21 | H21 | 76.6° | 95.1° |
| C18 | C17 | C21 | H21A | 163.4° | 142.3° |
| C17 | C18 | C19 | H19 | 123.5° | 95.0° |
| C17 | C18 | C19 | H19A | 116.5° | 142.4° |
| C17 | C18 | H18 | H18A | 121.8° | 121.4° |
| C20 | C19 | C18 | H19 | 120.0° | 118.6° |
| C20 | C19 | C18 | H19A | 120.0° | 118.7° |
| C19 | C20 | C21 | H21 | 78.6° | 80.8° |
| C19 | C20 | C21 | H21A | 161.4° | 156.6° |
| C19 | C20 | H20 | H20A | 122.2° | 123.3° |
| C20 | C19 | H19 | H19A | 121.3° | 122.5° |
| C20 | C19 | C18 | H18 | 123.5° | 95.7° |
| C20 | C19 | C18 | H18A | 116.5° | 142.9° |
| C19 | C18 | C17 | H17 | 93.0° | 119.3° |
| C18 | C19 | C20 | H20 | 143.5° | 156.3° |
| C18 | C19 | C20 | H20A | 96.5° | 80.4° |
| C18 | C19 | H19 | H19A | 121.3° | 122.8° |
| C19 | C18 | H18 | H18A | 121.7° | 121.4° |
| H15 | C15 | N16 | HN16 | 76.7° | 176.1° |
| H15 | C15 | C14 | OXT | 18.0° | 59.7° |
| H15A | C15 | N16 | HN16 | 163.3° | 63.9° |
| H15A | C15 | C14 | OXT | 102.0° | 60.3° |
| HN16 | N16 | C17 | H17 | 55.7° | 90.4° |
| H17 | C17 | C21 | H21 | 161.9° | 145.6° |
| H17 | C17 | C21 | H21A | 41.9° | 23.0° |
| H17 | C17 | C18 | H18 | 27.0° | 0.0° |
| H17 | C17 | C18 | H18A | 147.0° | 121.4° |
| H21 | C21 | C20 | H20 | 41.4° | 37.5° |
| H21 | C21 | C20 | H20A | 161.4° | 160.9° |
| H21A | C21 | C20 | H20 | 78.6° | 85.1° |
| H21A | C21 | C20 | H20A | 41.4° | 38.2° |
| H20 | C20 | C19 | H19 | 23.5° | 37.5° |
| H20 | C20 | C19 | H19A | 96.5° | 84.9° |
| H20A | C20 | C19 | H19 | 143.5° | 160.9° |
| H20A | C20 | C19 | H19A | 23.4° | 38.5° |
| H19 | C19 | C18 | H18 | 116.5° | 145.7° |
| H19 | C19 | C18 | H18A | 3.5° | 24.2° |
| H19A | C19 | C18 | H18 | 3.5° | 23.1° |
| H19A | C19 | C18 | H18A | 123.5° | 98.4° |
