NPX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.36Å | 1.37Å | |
| C1 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | C6 | doub | 1.37Å | 1.40Å | Aromatic |
| O2 | C12 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | doub | 1.36Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.41Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.42Å | 1.49Å | Aromatic |
| C4 | C7 | sing | 1.41Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C13 | sing | 1.41Å | 1.40Å | Aromatic |
| C7 | C8 | doub | 1.36Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| C8 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C15 | sing | 1.51Å | 1.51Å | |
| C13 | C11 | doub | 1.36Å | 1.40Å | Aromatic |
| O | C15 | sing | 1.34Å | 1.25Å | |
| OXT | C15 | doub | 1.21Å | 1.25Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| O | H | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | C2 | 120.8° | 119.6° |
| O2 | C1 | C6 | 118.1° | 119.6° |
| C1 | O2 | C12 | 122.2° | 117.0° |
| C2 | C1 | C6 | 121.1° | 120.8° |
| C1 | C2 | C3 | 120.3° | 120.9° |
| C1 | C2 | H2 | 119.9° | 119.5° |
| C1 | C6 | C5 | 120.6° | 119.6° |
| C1 | C6 | H6 | 119.7° | 120.1° |
| O2 | C12 | H121 | 109.5° | 109.5° |
| O2 | C12 | H122 | 109.4° | 109.5° |
| O2 | C12 | H123 | 109.4° | 109.5° |
| C2 | C3 | C4 | 120.6° | 119.7° |
| C3 | C2 | H2 | 119.8° | 119.5° |
| C2 | C3 | H3 | 119.7° | 120.1° |
| C3 | C4 | C5 | 119.2° | 119.5° |
| C3 | C4 | C7 | 122.2° | 121.2° |
| C4 | C3 | H3 | 119.7° | 120.1° |
| C5 | C4 | C7 | 118.6° | 119.4° |
| C4 | C5 | C6 | 118.1° | 119.4° |
| C4 | C5 | C13 | 119.4° | 119.4° |
| C4 | C7 | C8 | 120.6° | 119.6° |
| C4 | C7 | H7 | 119.7° | 120.2° |
| C6 | C5 | C13 | 122.5° | 121.2° |
| C5 | C6 | H6 | 119.7° | 120.2° |
| C5 | C13 | C11 | 119.6° | 119.6° |
| C5 | C13 | H13 | 120.2° | 120.2° |
| C7 | C8 | C9 | 118.2° | 119.5° |
| C7 | C8 | C11 | 120.3° | 121.0° |
| C8 | C7 | H7 | 119.7° | 120.2° |
| C9 | C8 | C11 | 121.5° | 119.5° |
| C8 | C9 | C10 | 109.3° | 109.4° |
| C8 | C9 | C15 | 117.0° | 109.5° |
| C8 | C9 | H9 | 104.1° | 109.5° |
| C8 | C11 | C13 | 121.4° | 121.0° |
| C8 | C11 | H11 | 119.3° | 119.5° |
| C10 | C9 | C15 | 109.0° | 109.5° |
| C10 | C9 | H9 | 112.9° | 109.5° |
| C9 | C10 | H101 | 109.5° | 109.4° |
| C9 | C10 | H102 | 109.5° | 109.5° |
| C9 | C10 | H103 | 109.5° | 109.5° |
| C9 | C15 | O | 117.1° | 120.0° |
| C9 | C15 | OXT | 120.2° | 120.0° |
| C15 | C9 | H9 | 104.4° | 109.5° |
| C11 | C13 | H13 | 120.2° | 120.1° |
| C13 | C11 | H11 | 119.3° | 119.5° |
| O | C15 | OXT | 122.7° | 120.0° |
| C15 | O | H | 109.5° | 117.0° |
| H121 | C12 | H122 | 109.5° | 109.4° |
| H121 | C12 | H123 | 109.5° | 109.4° |
| H122 | C12 | H123 | 109.5° | 109.4° |
| H101 | C10 | H102 | 109.4° | 109.5° |
| H101 | C10 | H103 | 109.5° | 109.5° |
| H102 | C10 | H103 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | C2 | C6 | 180.0° | 179.7° |
| O2 | C1 | C2 | C3 | 179.9° | 180.0° |
| O2 | C1 | C6 | C5 | 179.6° | 179.7° |
| O2 | C1 | C2 | H2 | 0.1° | 0.1° |
| O2 | C1 | C6 | H6 | 0.4° | 0.0° |
| C1 | O2 | C12 | H121 | 180.0° | 180.0° |
| C1 | O2 | C12 | H122 | 60.0° | 60.0° |
| C1 | O2 | C12 | H123 | 60.0° | 60.0° |
| C2 | C1 | O2 | C12 | 12.6° | 0.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C2 | C1 | C6 | C5 | 0.4° | 0.6° |
| C2 | C1 | C6 | H6 | 179.6° | 179.7° |
| C1 | C2 | C3 | H3 | 179.8° | 179.9° |
| C6 | C1 | O2 | C12 | 167.4° | 179.7° |
| C6 | C1 | C2 | C3 | 0.1° | 0.3° |
| C1 | C6 | C5 | C4 | 0.4° | 0.6° |
| C1 | C6 | C5 | H6 | 180.0° | 179.7° |
| C1 | C6 | C5 | C13 | 179.9° | 179.7° |
| C6 | C1 | C2 | H2 | 179.9° | 179.8° |
| O2 | C12 | H121 | H122 | 120.0° | 120.1° |
| O2 | C12 | H121 | H123 | 120.0° | 120.0° |
| O2 | C12 | H122 | H123 | 120.0° | 120.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.1° | 0.1° |
| C2 | C3 | C4 | C7 | 179.9° | 180.0° |
| C3 | C4 | C5 | C7 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.2° |
| C3 | C4 | C5 | C13 | 179.9° | 179.9° |
| C3 | C4 | C7 | C8 | 179.6° | 180.0° |
| C4 | C3 | C2 | H2 | 179.8° | 179.9° |
| C3 | C4 | C7 | H7 | 0.4° | 0.1° |
| C4 | C5 | C6 | C13 | 179.7° | 179.7° |
| C5 | C4 | C7 | C8 | 0.4° | 0.0° |
| C4 | C5 | C13 | C11 | 0.2° | 0.1° |
| C4 | C5 | C6 | H6 | 179.6° | 179.7° |
| C5 | C4 | C3 | H3 | 179.9° | 180.0° |
| C5 | C4 | C7 | H7 | 179.6° | 180.0° |
| C4 | C5 | C13 | H13 | 179.7° | 179.9° |
| C7 | C4 | C5 | C6 | 179.8° | 179.7° |
| C7 | C4 | C5 | C13 | 0.1° | 0.0° |
| C4 | C7 | C8 | H7 | 180.0° | 179.9° |
| C4 | C7 | C8 | C9 | 178.5° | 180.0° |
| C4 | C7 | C8 | C11 | 0.8° | 0.0° |
| C7 | C4 | C3 | H3 | 0.1° | 0.1° |
| C6 | C5 | C13 | C11 | 179.9° | 179.8° |
| C6 | C5 | C13 | H13 | 0.1° | 0.3° |
| C5 | C13 | C11 | C8 | 0.7° | 0.1° |
| C5 | C13 | C11 | H13 | 180.0° | 179.9° |
| C13 | C5 | C6 | H6 | 0.1° | 0.0° |
| C5 | C13 | C11 | H11 | 179.3° | 180.0° |
| C7 | C8 | C9 | C11 | 177.7° | 180.0° |
| C7 | C8 | C9 | C10 | 131.3° | 120.0° |
| C7 | C8 | C9 | C15 | 104.2° | 120.0° |
| C7 | C8 | C11 | C13 | 1.0° | 0.1° |
| C7 | C8 | C9 | H9 | 10.4° | 0.0° |
| C7 | C8 | C11 | H11 | 179.0° | 180.0° |
| C8 | C9 | C10 | C15 | 129.1° | 120.0° |
| C8 | C9 | C10 | H9 | 115.3° | 120.0° |
| C8 | C9 | C15 | H9 | 114.4° | 120.0° |
| C9 | C8 | C11 | C13 | 178.6° | 180.0° |
| C8 | C9 | C15 | O | 124.3° | 180.0° |
| C8 | C9 | C15 | OXT | 56.9° | 0.0° |
| C9 | C8 | C7 | H7 | 1.5° | 0.0° |
| C9 | C8 | C11 | H11 | 1.4° | 0.0° |
| C8 | C9 | C10 | H101 | 180.0° | 180.0° |
| C8 | C9 | C10 | H102 | 60.0° | 60.0° |
| C8 | C9 | C10 | H103 | 60.0° | 60.0° |
| C11 | C8 | C9 | C10 | 46.4° | 60.0° |
| C11 | C8 | C9 | C15 | 78.1° | 60.0° |
| C8 | C11 | C13 | H11 | 180.0° | 179.9° |
| C11 | C8 | C7 | H7 | 179.2° | 179.9° |
| C8 | C11 | C13 | H13 | 179.3° | 180.0° |
| C11 | C8 | C9 | H9 | 167.3° | 180.0° |
| C10 | C9 | C15 | H9 | 120.9° | 120.0° |
| C10 | C9 | C15 | O | 111.0° | 60.0° |
| C10 | C9 | C15 | OXT | 67.8° | 120.0° |
| C9 | C10 | H101 | H102 | 120.0° | 120.0° |
| C9 | C10 | H101 | H103 | 120.0° | 120.0° |
| C9 | C10 | H102 | H103 | 120.0° | 120.0° |
| C9 | C15 | O | OXT | 178.8° | 180.0° |
| C15 | C9 | C10 | H101 | 50.9° | 60.0° |
| C15 | C9 | C10 | H102 | 170.9° | 180.0° |
| C15 | C9 | C10 | H103 | 69.1° | 60.0° |
| C9 | C15 | O | H | 178.8° | 180.0° |
| O | C15 | C9 | H9 | 9.9° | 60.0° |
| OXT | C15 | C9 | H9 | 171.3° | 120.0° |
| OXT | C15 | O | H | 0.0° | 0.0° |
| H2 | C2 | C3 | H3 | 0.2° | 0.0° |
| H121 | C12 | H122 | H123 | 120.0° | 119.9° |
| H13 | C13 | C11 | H11 | 0.7° | 0.1° |
| H9 | C9 | C10 | H101 | 64.7° | 60.0° |
| H9 | C9 | C10 | H102 | 55.3° | 60.0° |
| H9 | C9 | C10 | H103 | 175.3° | 180.0° |
| H101 | C10 | H102 | H103 | 120.0° | 120.0° |
