LXO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | O35 | doub | 1.21Å | 1.17Å | |
| C24 | C25 | sing | 1.51Å | 1.54Å | |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C26 | C27 | sing | 1.53Å | 1.58Å | |
| C27 | N28 | sing | 1.46Å | 1.49Å | |
| N28 | C29 | sing | 1.39Å | 1.48Å | |
| C29 | C34 | doub | 1.40Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | N32 | doub | 1.32Å | 1.33Å | Aromatic |
| C31 | N32 | sing | 1.32Å | 1.33Å | Aromatic |
| C26 | H2 | sing | 1.09Å | 1.10Å | |
| C26 | H3 | sing | 1.09Å | 1.10Å | |
| C25 | H4 | sing | 1.09Å | 1.10Å | |
| C25 | H5 | sing | 1.09Å | 1.10Å | |
| C27 | H6 | sing | 1.09Å | 1.10Å | |
| C27 | H7 | sing | 1.09Å | 1.10Å | |
| C30 | H8 | sing | 1.08Å | 1.08Å | |
| C31 | H9 | sing | 1.08Å | 1.08Å | |
| C33 | H10 | sing | 1.08Å | 1.08Å | |
| C34 | H11 | sing | 1.08Å | 1.08Å | |
| N28 | H12 | sing | 0.97Å | 1.00Å | |
| C24 | OXT | sing | 1.34Å | 1.47Å | |
| OXT | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O35 | C24 | C25 | 121.0° | 120.0° |
| O35 | C24 | OXT | 120.9° | 120.0° |
| C24 | C25 | C26 | 102.8° | 109.4° |
| C24 | C25 | H4 | 111.1° | 109.4° |
| C24 | C25 | H5 | 111.1° | 109.5° |
| C25 | C24 | OXT | 118.1° | 120.0° |
| C25 | C26 | C27 | 117.5° | 109.5° |
| C25 | C26 | H2 | 107.4° | 109.5° |
| C25 | C26 | H3 | 107.4° | 109.5° |
| C26 | C25 | H4 | 111.1° | 109.5° |
| C26 | C25 | H5 | 111.1° | 109.5° |
| C26 | C27 | N28 | 110.1° | 109.5° |
| C27 | C26 | H2 | 107.4° | 109.5° |
| C27 | C26 | H3 | 107.4° | 109.5° |
| C26 | C27 | H6 | 109.3° | 109.4° |
| C26 | C27 | H7 | 109.3° | 109.5° |
| C27 | N28 | C29 | 118.2° | 120.0° |
| N28 | C27 | H6 | 109.3° | 109.5° |
| N28 | C27 | H7 | 109.3° | 109.5° |
| C27 | N28 | H12 | 107.2° | 120.0° |
| N28 | C29 | C34 | 119.9° | 120.9° |
| N28 | C29 | C30 | 119.7° | 120.8° |
| C29 | N28 | H12 | 107.3° | 119.9° |
| C34 | C29 | C30 | 120.5° | 118.3° |
| C29 | C34 | C33 | 117.6° | 119.1° |
| C29 | C34 | H11 | 121.2° | 120.4° |
| C29 | C30 | C31 | 117.9° | 119.0° |
| C29 | C30 | H8 | 121.0° | 120.5° |
| C34 | C33 | N32 | 120.9° | 120.8° |
| C34 | C33 | H10 | 119.6° | 119.6° |
| C33 | C34 | H11 | 121.2° | 120.5° |
| C30 | C31 | N32 | 120.5° | 120.9° |
| C31 | C30 | H8 | 121.1° | 120.5° |
| C30 | C31 | H9 | 119.8° | 119.6° |
| C33 | N32 | C31 | 122.6° | 121.9° |
| N32 | C33 | H10 | 119.5° | 119.6° |
| N32 | C31 | H9 | 119.8° | 119.5° |
| H2 | C26 | H3 | 109.5° | 109.4° |
| H4 | C25 | H5 | 109.5° | 109.5° |
| H6 | C27 | H7 | 109.5° | 109.4° |
| C24 | OXT | H1 | 109.5° | 117.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O35 | C24 | C25 | OXT | 178.5° | 179.7° |
| O35 | C24 | C25 | C26 | 97.6° | 0.1° |
| O35 | C24 | C25 | H4 | 21.4° | 120.0° |
| O35 | C24 | C25 | H5 | 143.5° | 120.0° |
| O35 | C24 | OXT | H1 | 0.0° | 0.0° |
| C24 | C25 | C26 | H4 | 118.9° | 119.9° |
| C24 | C25 | C26 | H5 | 118.9° | 120.0° |
| C24 | C25 | C26 | C27 | 178.4° | 180.0° |
| C24 | C25 | C26 | H2 | 57.2° | 60.0° |
| C24 | C25 | C26 | H3 | 60.5° | 59.9° |
| C24 | C25 | H4 | H5 | 123.1° | 120.0° |
| C25 | C24 | OXT | H1 | 178.5° | 179.7° |
| C25 | C26 | C27 | H2 | 121.1° | 120.0° |
| C25 | C26 | C27 | H3 | 121.2° | 120.0° |
| C25 | C26 | C27 | N28 | 65.7° | 180.0° |
| C25 | C26 | H2 | H3 | 116.4° | 120.0° |
| C26 | C25 | H4 | H5 | 123.1° | 120.1° |
| C25 | C26 | C27 | H6 | 54.4° | 60.0° |
| C25 | C26 | C27 | H7 | 174.2° | 60.0° |
| C26 | C25 | C24 | OXT | 81.0° | 179.7° |
| C26 | C27 | N28 | H6 | 120.1° | 120.0° |
| C26 | C27 | N28 | H7 | 120.1° | 120.0° |
| C26 | C27 | N28 | C29 | 159.7° | 179.9° |
| C27 | C26 | H2 | H3 | 116.4° | 120.0° |
| C27 | C26 | C25 | H4 | 62.7° | 60.0° |
| C27 | C26 | C25 | H5 | 59.5° | 60.0° |
| C26 | C27 | H6 | H7 | 119.7° | 119.9° |
| C26 | C27 | N28 | H12 | 38.5° | 0.0° |
| C27 | N28 | C29 | H12 | 121.2° | 179.9° |
| C27 | N28 | C29 | C34 | 19.2° | 180.0° |
| C27 | N28 | C29 | C30 | 160.6° | 0.2° |
| N28 | C27 | C26 | H2 | 173.2° | 60.0° |
| N28 | C27 | C26 | H3 | 55.5° | 60.0° |
| N28 | C27 | H6 | H7 | 119.7° | 120.0° |
| N28 | C29 | C34 | C30 | 179.7° | 179.8° |
| N28 | C29 | C34 | C33 | 179.9° | 179.8° |
| N28 | C29 | C30 | C31 | 180.0° | 179.8° |
| C29 | N28 | C27 | H6 | 80.2° | 60.1° |
| C29 | N28 | C27 | H7 | 39.6° | 59.9° |
| N28 | C29 | C30 | H8 | 0.1° | 0.2° |
| N28 | C29 | C34 | H11 | 0.1° | 0.2° |
| C29 | C34 | C33 | H11 | 180.0° | 180.0° |
| C34 | C29 | C30 | C31 | 0.2° | 0.1° |
| C29 | C34 | C33 | N32 | 0.3° | 0.1° |
| C34 | C29 | C30 | H8 | 179.8° | 180.0° |
| C29 | C34 | C33 | H10 | 179.7° | 180.0° |
| C34 | C29 | N28 | H12 | 140.4° | 0.1° |
| C30 | C29 | C34 | C33 | 0.2° | 0.0° |
| C29 | C30 | C31 | H8 | 180.0° | 180.0° |
| C29 | C30 | C31 | N32 | 0.3° | 0.0° |
| C29 | C30 | C31 | H9 | 179.6° | 180.0° |
| C30 | C29 | C34 | H11 | 179.8° | 180.0° |
| C30 | C29 | N28 | H12 | 39.4° | 179.7° |
| C34 | C33 | N32 | H10 | 180.0° | 179.9° |
| C34 | C33 | N32 | C31 | 0.4° | 0.1° |
| C30 | C31 | N32 | C33 | 0.5° | 0.0° |
| C30 | C31 | N32 | H9 | 180.0° | 180.0° |
| C33 | N32 | C31 | H9 | 179.5° | 180.0° |
| N32 | C33 | C34 | H11 | 179.7° | 180.0° |
| N32 | C31 | C30 | H8 | 179.7° | 180.0° |
| C31 | N32 | C33 | H10 | 179.6° | 180.0° |
| H2 | C26 | C25 | H4 | 176.1° | 179.9° |
| H2 | C26 | C25 | H5 | 61.7° | 60.0° |
| H2 | C26 | C27 | H6 | 66.8° | 180.0° |
| H2 | C26 | C27 | H7 | 53.1° | 60.1° |
| H3 | C26 | C25 | H4 | 58.5° | 60.0° |
| H3 | C26 | C25 | H5 | 179.4° | 179.9° |
| H3 | C26 | C27 | H6 | 175.5° | 60.1° |
| H3 | C26 | C27 | H7 | 64.6° | 180.0° |
| H4 | C25 | C24 | OXT | 160.1° | 60.3° |
| H5 | C25 | C24 | OXT | 38.0° | 59.7° |
| H6 | C27 | N28 | H12 | 158.6° | 120.0° |
| H7 | C27 | N28 | H12 | 81.6° | 120.0° |
| H8 | C30 | C31 | H9 | 0.3° | 0.0° |
| H10 | C33 | C34 | H11 | 0.2° | 0.0° |
