NPS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C15 | sing | 1.22Å | 1.22Å | |
| C15 | OXT | doub | 1.22Å | 1.22Å | |
| C15 | C14 | sing | 1.48Å | 1.48Å | |
| C14 | C10 | sing | 1.51Å | 1.51Å | |
| C14 | C8 | sing | 1.48Å | 1.48Å | |
| C8 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C11 | doub | 1.37Å | 1.37Å | Aromatic |
| C7 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.46Å | 1.46Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.37Å | 1.37Å | Aromatic |
| C11 | C13 | sing | 1.36Å | 1.36Å | Aromatic |
| C13 | C5 | doub | 1.36Å | 1.36Å | Aromatic |
| C5 | C6 | sing | 1.35Å | 1.35Å | Aromatic |
| C6 | C1 | doub | 1.36Å | 1.36Å | Aromatic |
| C1 | O2 | sing | 1.35Å | 1.35Å | |
| O2 | C12 | sing | 1.39Å | 1.39Å | |
| O | H | sing | 0.95Å | 0.95Å | |
| C14 | H14 | sing | 1.10Å | 1.10Å | |
| C10 | H101 | sing | 1.10Å | 1.10Å | |
| C10 | H102 | sing | 1.10Å | 1.10Å | |
| C10 | H103 | sing | 1.10Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.10Å | 1.10Å | |
| C12 | H122 | sing | 1.10Å | 1.10Å | |
| C12 | H123 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C15 | OXT | 121.6° | 121.6° |
| O | C15 | C14 | 119.2° | 119.2° |
| C15 | O | H | 109.5° | 109.5° |
| OXT | C15 | C14 | 119.2° | 119.2° |
| C15 | C14 | C10 | 108.5° | 108.5° |
| C15 | C14 | C8 | 120.3° | 120.3° |
| C15 | C14 | H14 | 102.5° | 102.5° |
| C10 | C14 | C8 | 110.0° | 110.0° |
| C10 | C14 | H14 | 114.5° | 114.5° |
| C14 | C10 | H101 | 109.5° | 109.5° |
| C14 | C10 | H102 | 109.5° | 109.5° |
| C14 | C10 | H103 | 109.5° | 109.4° |
| C14 | C8 | C7 | 124.1° | 124.1° |
| C14 | C8 | C11 | 115.4° | 115.4° |
| C8 | C14 | H14 | 100.7° | 100.7° |
| C7 | C8 | C11 | 120.5° | 120.5° |
| C8 | C7 | C4 | 119.4° | 119.4° |
| C8 | C7 | H7 | 120.3° | 120.3° |
| C8 | C11 | C13 | 122.5° | 122.5° |
| C8 | C11 | H11 | 118.8° | 118.8° |
| C7 | C4 | C3 | 124.3° | 124.3° |
| C7 | C4 | C5 | 118.1° | 118.1° |
| C4 | C7 | H7 | 120.3° | 120.3° |
| C3 | C4 | C5 | 117.6° | 117.6° |
| C4 | C3 | C2 | 120.9° | 120.9° |
| C4 | C3 | H3 | 119.6° | 119.6° |
| C4 | C5 | C13 | 120.9° | 120.9° |
| C4 | C5 | C6 | 119.6° | 119.6° |
| C3 | C2 | C1 | 120.0° | 120.0° |
| C2 | C3 | H3 | 119.6° | 119.6° |
| C3 | C2 | H2 | 120.0° | 120.0° |
| C2 | C1 | C6 | 121.2° | 121.2° |
| C2 | C1 | O2 | 122.8° | 122.8° |
| C1 | C2 | H2 | 120.0° | 120.0° |
| C11 | C13 | C5 | 118.6° | 118.6° |
| C13 | C11 | H11 | 118.7° | 118.7° |
| C11 | C13 | H13 | 120.7° | 120.7° |
| C13 | C5 | C6 | 119.5° | 119.5° |
| C5 | C13 | H13 | 120.7° | 120.7° |
| C5 | C6 | C1 | 120.7° | 120.7° |
| C5 | C6 | H6 | 119.6° | 119.6° |
| C6 | C1 | O2 | 116.0° | 116.0° |
| C1 | C6 | H6 | 119.6° | 119.6° |
| C1 | O2 | C12 | 120.6° | 120.6° |
| O2 | C12 | H121 | 109.5° | 109.5° |
| O2 | C12 | H122 | 109.5° | 109.4° |
| O2 | C12 | H123 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H101 | C10 | H103 | 109.5° | 109.5° |
| H102 | C10 | H103 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.4° | 109.5° |
| H121 | C12 | H123 | 109.5° | 109.5° |
| H122 | C12 | H123 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C15 | OXT | C14 | 177.2° | 177.2° |
| O | C15 | C14 | C10 | 28.4° | 28.4° |
| O | C15 | C14 | C8 | 99.5° | 99.5° |
| O | C15 | C14 | H14 | 150.0° | 150.0° |
| OXT | C15 | C14 | C10 | 148.9° | 148.9° |
| OXT | C15 | C14 | C8 | 83.2° | 83.2° |
| OXT | C15 | O | H | 0.0° | 0.0° |
| OXT | C15 | C14 | H14 | 27.3° | 27.3° |
| C15 | C14 | C10 | C8 | 133.6° | 133.6° |
| C15 | C14 | C10 | H14 | 113.8° | 113.8° |
| C15 | C14 | C8 | H14 | 111.5° | 111.5° |
| C15 | C14 | C8 | C7 | 75.9° | 75.9° |
| C15 | C14 | C8 | C11 | 107.1° | 107.1° |
| C14 | C15 | O | H | 177.2° | 177.2° |
| C15 | C14 | C10 | H101 | 89.2° | 89.2° |
| C15 | C14 | C10 | H102 | 30.8° | 30.8° |
| C15 | C14 | C10 | H103 | 150.8° | 150.8° |
| C10 | C14 | C8 | H14 | 121.3° | 121.3° |
| C10 | C14 | C8 | C7 | 51.4° | 51.4° |
| C10 | C14 | C8 | C11 | 125.7° | 125.7° |
| C14 | C10 | H101 | H102 | 120.0° | 120.0° |
| C14 | C10 | H101 | H103 | 120.0° | 120.0° |
| C14 | C10 | H102 | H103 | 120.0° | 120.0° |
| C14 | C8 | C7 | C11 | 176.9° | 176.9° |
| C14 | C8 | C7 | C4 | 178.3° | 178.3° |
| C14 | C8 | C11 | C13 | 178.7° | 178.7° |
| C8 | C14 | C10 | H101 | 137.2° | 137.2° |
| C8 | C14 | C10 | H102 | 102.8° | 102.8° |
| C8 | C14 | C10 | H103 | 17.2° | 17.2° |
| C14 | C8 | C7 | H7 | 1.7° | 1.7° |
| C14 | C8 | C11 | H11 | 1.3° | 1.3° |
| C8 | C7 | C4 | H7 | 180.0° | 180.0° |
| C8 | C7 | C4 | C3 | 179.5° | 179.5° |
| C8 | C7 | C4 | C5 | 0.8° | 0.8° |
| C7 | C8 | C11 | C13 | 1.5° | 1.5° |
| C7 | C8 | C14 | H14 | 172.7° | 172.7° |
| C7 | C8 | C11 | H11 | 178.5° | 178.5° |
| C11 | C8 | C7 | C4 | 1.4° | 1.4° |
| C8 | C11 | C13 | H11 | 180.0° | 180.0° |
| C8 | C11 | C13 | C5 | 1.1° | 1.1° |
| C11 | C8 | C14 | H14 | 4.4° | 4.4° |
| C11 | C8 | C7 | H7 | 178.6° | 178.6° |
| C8 | C11 | C13 | H13 | 178.9° | 178.9° |
| C7 | C4 | C3 | C5 | 179.7° | 179.7° |
| C7 | C4 | C3 | C2 | 179.8° | 179.8° |
| C7 | C4 | C5 | C13 | 0.4° | 0.4° |
| C7 | C4 | C5 | C6 | 179.9° | 179.9° |
| C7 | C4 | C3 | H3 | 0.2° | 0.2° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.1° | 0.1° |
| C3 | C4 | C5 | C13 | 179.9° | 179.9° |
| C3 | C4 | C5 | C6 | 0.4° | 0.4° |
| C3 | C4 | C7 | H7 | 0.5° | 0.5° |
| C4 | C3 | C2 | H2 | 179.9° | 179.9° |
| C5 | C4 | C3 | C2 | 0.1° | 0.1° |
| C4 | C5 | C13 | C11 | 0.6° | 0.6° |
| C4 | C5 | C13 | C6 | 179.5° | 179.5° |
| C4 | C5 | C6 | C1 | 0.4° | 0.4° |
| C5 | C4 | C7 | H7 | 179.2° | 179.2° |
| C5 | C4 | C3 | H3 | 179.8° | 179.8° |
| C4 | C5 | C13 | H13 | 179.4° | 179.4° |
| C4 | C5 | C6 | H6 | 179.6° | 179.6° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.1° | 0.1° |
| C3 | C2 | C1 | O2 | 179.8° | 179.8° |
| C2 | C1 | C6 | C5 | 0.2° | 0.2° |
| C2 | C1 | C6 | O2 | 179.7° | 179.7° |
| C2 | C1 | O2 | C12 | 4.4° | 4.4° |
| C1 | C2 | C3 | H3 | 179.9° | 179.9° |
| C2 | C1 | C6 | H6 | 179.8° | 179.8° |
| C11 | C13 | C5 | H13 | 180.0° | 180.0° |
| C11 | C13 | C5 | C6 | 179.9° | 179.9° |
| C13 | C5 | C6 | C1 | 179.9° | 179.9° |
| C5 | C13 | C11 | H11 | 178.9° | 178.9° |
| C13 | C5 | C6 | H6 | 0.1° | 0.1° |
| C5 | C6 | C1 | H6 | 180.0° | 180.0° |
| C5 | C6 | C1 | O2 | 179.5° | 179.5° |
| C6 | C5 | C13 | H13 | 0.0° | 0.0° |
| C6 | C1 | O2 | C12 | 175.3° | 175.3° |
| C6 | C1 | C2 | H2 | 179.9° | 179.9° |
| O2 | C1 | C2 | H2 | 0.2° | 0.2° |
| O2 | C1 | C6 | H6 | 0.5° | 0.5° |
| C1 | O2 | C12 | H121 | 70.7° | 70.7° |
| C1 | O2 | C12 | H122 | 49.3° | 49.3° |
| C1 | O2 | C12 | H123 | 169.3° | 169.3° |
| O2 | C12 | H121 | H122 | 120.0° | 120.0° |
| O2 | C12 | H121 | H123 | 120.0° | 120.0° |
| O2 | C12 | H122 | H123 | 120.0° | 120.0° |
| H14 | C14 | C10 | H101 | 24.6° | 24.6° |
| H14 | C14 | C10 | H102 | 144.6° | 144.6° |
| H14 | C14 | C10 | H103 | 95.4° | 95.4° |
| H101 | C10 | H102 | H103 | 120.0° | 120.0° |
| H11 | C11 | C13 | H13 | 1.1° | 1.1° |
| H3 | C3 | C2 | H2 | 0.1° | 0.1° |
| H121 | C12 | H122 | H123 | 120.0° | 120.0° |
