1X0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C27 | sing | 1.51Å | 1.54Å | |
| C27 | C26 | sing | 1.53Å | 1.55Å | |
| C26 | C25 | sing | 1.53Å | 1.55Å | |
| O19 | C17 | doub | 1.21Å | 1.23Å | |
| C25 | C24 | sing | 1.53Å | 1.55Å | |
| C17 | C18 | sing | 1.51Å | 1.54Å | |
| C24 | C18 | sing | 1.53Å | 1.55Å | |
| C18 | N20 | sing | 1.47Å | 1.47Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| N20 | H15 | sing | 1.01Å | 1.00Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.08Å | 1.08Å | |
| C17 | OXT | sing | 1.34Å | 123.55Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å | |
| N20 | H1 | sing | 1.01Å | 1.00Å | |
| C28 | C1 | doub | 1.31Å | 120.22Å | |
| C1 | H2 | sing | 1.08Å | 0.00Å | |
| C1 | H3 | sing | 1.08Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | C26 | 108.6° | 109.5° |
| C28 | C27 | H22 | 109.7° | 109.5° |
| C28 | C27 | H23 | 109.7° | 109.5° |
| C27 | C28 | H24 | 118.2° | 120.0° |
| C27 | C28 | C1 | 123.6° | 120.0° |
| C27 | C26 | C25 | 110.4° | 109.5° |
| C27 | C26 | H20 | 109.3° | 109.5° |
| C27 | C26 | H21 | 109.3° | 109.5° |
| C26 | C27 | H22 | 109.7° | 109.4° |
| C26 | C27 | H23 | 109.7° | 109.5° |
| C26 | C25 | C24 | 110.1° | 109.5° |
| C26 | C25 | H18 | 109.3° | 109.5° |
| C26 | C25 | H19 | 109.3° | 109.5° |
| C25 | C26 | H20 | 109.2° | 109.5° |
| C25 | C26 | H21 | 109.2° | 109.5° |
| O19 | C17 | C18 | 116.9° | 120.0° |
| O19 | C17 | OXT | 32.3° | 120.0° |
| C25 | C24 | C18 | 108.5° | 109.5° |
| C25 | C24 | H16 | 109.7° | 109.5° |
| C25 | C24 | H17 | 109.7° | 109.5° |
| C24 | C25 | H18 | 109.3° | 109.5° |
| C24 | C25 | H19 | 109.3° | 109.5° |
| C17 | C18 | C24 | 112.1° | 109.5° |
| C17 | C18 | N20 | 109.2° | 109.5° |
| C17 | C18 | H14 | 108.1° | 109.4° |
| C18 | C17 | OXT | 123.6° | 120.0° |
| C24 | C18 | N20 | 110.2° | 109.5° |
| C24 | C18 | H14 | 108.1° | 109.5° |
| C18 | C24 | H16 | 109.7° | 109.5° |
| C18 | C24 | H17 | 109.7° | 109.5° |
| N20 | C18 | H14 | 109.1° | 109.5° |
| C18 | N20 | H15 | 109.5° | 111.0° |
| C18 | N20 | H1 | 109.4° | 111.0° |
| H15 | N20 | H1 | 109.5° | 111.0° |
| H16 | C24 | H17 | 109.5° | 109.4° |
| H18 | C25 | H19 | 109.5° | 109.5° |
| H20 | C26 | H21 | 109.5° | 109.4° |
| H22 | C27 | H23 | 109.5° | 109.5° |
| H24 | C28 | C1 | 118.2° | 120.0° |
| C17 | OXT | HXT | 90.0° | 117.0° |
| C28 | C1 | H2 | 90.0° | 120.0° |
| C28 | C1 | H3 | 90.0° | 120.0° |
| H2 | C1 | H3 | 90.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C26 | H22 | 119.9° | 120.0° |
| C28 | C27 | C26 | H23 | 119.9° | 120.0° |
| C28 | C27 | C26 | C25 | 85.7° | 180.0° |
| C28 | C27 | C26 | H20 | 34.4° | 60.0° |
| C28 | C27 | C26 | H21 | 154.1° | 60.0° |
| C28 | C27 | H22 | H23 | 120.4° | 120.0° |
| C27 | C28 | H24 | C1 | 180.0° | 180.0° |
| C27 | C28 | C1 | H2 | 90.0° | 180.0° |
| C27 | C28 | C1 | H3 | 90.0° | 0.0° |
| C27 | C26 | C25 | H20 | 120.1° | 120.0° |
| C27 | C26 | C25 | H21 | 120.2° | 120.0° |
| C27 | C26 | C25 | C24 | 110.7° | 180.0° |
| C27 | C26 | C25 | H18 | 129.2° | 60.0° |
| C27 | C26 | C25 | H19 | 9.4° | 60.0° |
| C27 | C26 | H20 | H21 | 119.6° | 120.0° |
| C26 | C27 | H22 | H23 | 120.4° | 120.0° |
| C26 | C27 | C28 | H24 | 26.8° | 55.0° |
| C26 | C27 | C28 | C1 | 153.2° | 125.0° |
| C26 | C25 | C24 | H18 | 120.1° | 120.0° |
| C26 | C25 | C24 | H19 | 120.1° | 120.0° |
| C26 | C25 | C24 | C18 | 166.6° | 180.0° |
| C26 | C25 | C24 | H16 | 46.7° | 60.0° |
| C26 | C25 | C24 | H17 | 73.6° | 60.0° |
| C26 | C25 | H18 | H19 | 119.7° | 120.0° |
| C25 | C26 | H20 | H21 | 119.6° | 120.0° |
| C25 | C26 | C27 | H22 | 154.4° | 60.0° |
| C25 | C26 | C27 | H23 | 34.1° | 60.0° |
| O19 | C17 | C18 | OXT | 36.7° | 179.8° |
| O19 | C17 | C18 | C24 | 64.4° | 100.2° |
| O19 | C17 | C18 | N20 | 58.0° | 19.8° |
| O19 | C17 | C18 | H14 | 176.6° | 139.8° |
| O19 | C17 | OXT | HXT | 90.0° | 0.2° |
| C25 | C24 | C18 | C17 | 61.5° | 175.0° |
| C25 | C24 | C18 | H16 | 119.8° | 120.1° |
| C25 | C24 | C18 | H17 | 119.8° | 120.0° |
| C25 | C24 | C18 | N20 | 176.6° | 65.0° |
| C25 | C24 | C18 | H14 | 57.5° | 55.0° |
| C25 | C24 | H16 | H17 | 120.4° | 120.0° |
| C24 | C25 | H18 | H19 | 119.7° | 120.0° |
| C24 | C25 | C26 | H20 | 9.4° | 59.9° |
| C24 | C25 | C26 | H21 | 129.1° | 60.0° |
| C17 | C18 | C24 | N20 | 121.8° | 120.0° |
| C17 | C18 | C24 | H14 | 119.1° | 120.0° |
| C17 | C18 | N20 | H14 | 118.0° | 120.0° |
| C17 | C18 | N20 | H15 | 180.0° | 63.9° |
| C17 | C18 | C24 | H16 | 58.3° | 65.0° |
| C17 | C18 | C24 | H17 | 178.6° | 55.0° |
| C18 | C17 | OXT | HXT | 90.0° | 180.0° |
| C17 | C18 | N20 | H1 | 60.0° | 60.0° |
| C24 | C18 | N20 | H14 | 118.5° | 120.0° |
| C24 | C18 | N20 | H15 | 56.5° | 176.1° |
| C18 | C24 | H16 | H17 | 120.5° | 120.0° |
| C18 | C24 | C25 | H18 | 73.3° | 60.0° |
| C18 | C24 | C25 | H19 | 46.5° | 60.0° |
| C24 | C18 | C17 | OXT | 27.7° | 80.0° |
| C24 | C18 | N20 | H1 | 176.5° | 60.0° |
| C18 | N20 | H15 | H1 | 120.0° | 123.9° |
| N20 | C18 | C24 | H16 | 63.5° | 55.0° |
| N20 | C18 | C24 | H17 | 56.8° | 175.0° |
| N20 | C18 | C17 | OXT | 94.8° | 160.0° |
| H14 | C18 | N20 | H15 | 62.0° | 56.1° |
| H14 | C18 | C24 | H16 | 177.4° | 175.0° |
| H14 | C18 | C24 | H17 | 62.3° | 65.0° |
| H14 | C18 | C17 | OXT | 146.7° | 40.1° |
| H14 | C18 | N20 | H1 | 58.0° | 180.0° |
| H16 | C24 | C25 | H18 | 166.8° | 179.9° |
| H16 | C24 | C25 | H19 | 73.4° | 60.0° |
| H17 | C24 | C25 | H18 | 46.5° | 60.0° |
| H17 | C24 | C25 | H19 | 166.3° | 180.0° |
| H18 | C25 | C26 | H20 | 110.7° | 179.9° |
| H18 | C25 | C26 | H21 | 9.0° | 60.0° |
| H19 | C25 | C26 | H20 | 129.5° | 60.0° |
| H19 | C25 | C26 | H21 | 110.8° | 180.0° |
| H20 | C26 | C27 | H22 | 85.5° | 180.0° |
| H20 | C26 | C27 | H23 | 154.3° | 60.0° |
| H21 | C26 | C27 | H22 | 34.3° | 60.0° |
| H21 | C26 | C27 | H23 | 86.0° | 180.0° |
| H22 | C27 | C28 | H24 | 146.7° | 175.0° |
| H22 | C27 | C28 | C1 | 33.3° | 5.0° |
| H23 | C27 | C28 | H24 | 93.0° | 65.0° |
| H23 | C27 | C28 | C1 | 87.0° | 115.0° |
| H24 | C28 | C1 | H2 | 90.0° | 0.0° |
| H24 | C28 | C1 | H3 | 90.0° | 180.0° |
| C28 | C1 | H2 | H3 | 90.0° | 180.0° |
