NCZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.09Å | |
| C6 | C5 | sing | 1.42Å | 1.41Å | Aromatic |
| C6 | C10 | sing | 1.46Å | 1.41Å | Aromatic |
| C5 | C7 | sing | 1.41Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.36Å | 1.38Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.09Å | |
| C8 | C9 | sing | 1.40Å | 1.41Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.09Å | |
| C9 | C10 | doub | 1.40Å | 1.42Å | Aromatic |
| C9 | O2 | sing | 1.36Å | 1.40Å | |
| C10 | C11 | sing | 1.47Å | 1.45Å | |
| C11 | O3 | doub | 1.22Å | 1.23Å | |
| C11 | O4 | sing | 1.35Å | 1.47Å | |
| O4 | C12 | sing | 1.45Å | 1.47Å | |
| C12 | C13 | sing | 1.55Å | 1.53Å | |
| C12 | C16 | sing | 1.55Å | 1.54Å | |
| C12 | H12 | sing | 1.09Å | 1.19Å | |
| C13 | C14 | sing | 1.51Å | 1.34Å | |
| C13 | O5 | sing | 1.43Å | 1.43Å | |
| C13 | H13 | sing | 1.09Å | 1.09Å | |
| C14 | C15 | doub | 1.31Å | 1.48Å | |
| C14 | H14 | sing | 1.08Å | 1.09Å | |
| C15 | C16 | sing | 1.51Å | 1.54Å | |
| C15 | H15 | sing | 1.08Å | 1.09Å | |
| C16 | O6 | sing | 1.43Å | 1.46Å | |
| C16 | H16 | sing | 1.09Å | 1.09Å | |
| O6 | H6 | sing | 0.97Å | 1.03Å | |
| O5 | H5 | sing | 0.97Å | 0.96Å | |
| O2 | H2 | sing | 0.97Å | 1.03Å | |
| C4 | C3 | sing | 1.36Å | 1.39Å | Aromatic |
| C4 | C18 | sing | 1.51Å | 1.50Å | |
| C3 | C2 | doub | 1.40Å | 1.37Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.09Å | |
| C2 | O1 | sing | 1.36Å | 1.39Å | |
| O1 | C17 | sing | 1.43Å | 1.44Å | |
| C17 | H171 | sing | 1.09Å | 1.09Å | |
| C17 | H172 | sing | 1.09Å | 1.09Å | |
| C17 | H173 | sing | 1.09Å | 1.09Å | |
| C18 | H181 | sing | 1.09Å | 1.09Å | |
| C18 | H182 | sing | 1.09Å | 1.09Å | |
| C18 | H183 | sing | 1.09Å | 1.09Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | C2 | 122.2° | 119.5° |
| C6 | C1 | H1 | 118.9° | 120.3° |
| C1 | C6 | C5 | 118.8° | 119.7° |
| C1 | C6 | C10 | 120.8° | 121.3° |
| C2 | C1 | H1 | 118.9° | 120.3° |
| C1 | C2 | C3 | 118.2° | 120.6° |
| C1 | C2 | O1 | 122.7° | 119.7° |
| C5 | C6 | C10 | 120.5° | 119.0° |
| C6 | C5 | C7 | 121.2° | 119.5° |
| C6 | C5 | C4 | 118.7° | 119.4° |
| C6 | C10 | C9 | 117.2° | 118.5° |
| C6 | C10 | C11 | 121.0° | 120.8° |
| C7 | C5 | C4 | 120.1° | 121.1° |
| C5 | C7 | C8 | 119.2° | 120.9° |
| C5 | C7 | H7 | 120.4° | 119.6° |
| C5 | C4 | C3 | 120.7° | 119.8° |
| C5 | C4 | C18 | 122.2° | 120.1° |
| C8 | C7 | H7 | 120.4° | 119.5° |
| C7 | C8 | C9 | 120.8° | 121.8° |
| C7 | C8 | H8 | 119.6° | 119.1° |
| C9 | C8 | H8 | 119.6° | 119.1° |
| C8 | C9 | C10 | 121.0° | 120.3° |
| C8 | C9 | O2 | 116.9° | 119.8° |
| C10 | C9 | O2 | 122.1° | 119.8° |
| C9 | C10 | C11 | 119.4° | 120.7° |
| C9 | O2 | H2 | 109.5° | 106.8° |
| C10 | C11 | O3 | 119.9° | 120.0° |
| C10 | C11 | O4 | 124.3° | 120.0° |
| O3 | C11 | O4 | 115.7° | 120.0° |
| C11 | O4 | C12 | 118.6° | 120.0° |
| O4 | C12 | C13 | 111.9° | 111.0° |
| O4 | C12 | C16 | 109.7° | 111.0° |
| O4 | C12 | H12 | 103.8° | 110.9° |
| C13 | C12 | C16 | 103.2° | 101.4° |
| C13 | C12 | H12 | 127.9° | 111.0° |
| C12 | C13 | C14 | 109.1° | 104.7° |
| C12 | C13 | O5 | 109.8° | 110.4° |
| C12 | C13 | H13 | 109.9° | 110.4° |
| C16 | C12 | H12 | 98.8° | 111.1° |
| C12 | C16 | C15 | 104.8° | 104.7° |
| C12 | C16 | O6 | 112.2° | 110.5° |
| C12 | C16 | H16 | 112.5° | 110.4° |
| C14 | C13 | O5 | 109.1° | 110.5° |
| C14 | C13 | H13 | 109.1° | 110.4° |
| C13 | C14 | C15 | 113.2° | 111.1° |
| C13 | C14 | H14 | 123.4° | 124.5° |
| O5 | C13 | H13 | 109.9° | 110.3° |
| C13 | O5 | H5 | 109.5° | 106.8° |
| C15 | C14 | H14 | 123.4° | 124.4° |
| C14 | C15 | C16 | 104.1° | 111.1° |
| C14 | C15 | H15 | 128.0° | 124.5° |
| C16 | C15 | H15 | 127.9° | 124.4° |
| C15 | C16 | O6 | 108.0° | 110.4° |
| C15 | C16 | H16 | 108.2° | 110.4° |
| O6 | C16 | H16 | 110.8° | 110.3° |
| C16 | O6 | H6 | 109.7° | 106.8° |
| C3 | C4 | C18 | 117.1° | 120.1° |
| C4 | C3 | C2 | 121.4° | 121.0° |
| C4 | C3 | H3 | 119.3° | 119.5° |
| C4 | C18 | H181 | 109.5° | 109.5° |
| C4 | C18 | H182 | 109.5° | 109.5° |
| C4 | C18 | H183 | 109.5° | 109.5° |
| C2 | C3 | H3 | 119.3° | 119.5° |
| C3 | C2 | O1 | 119.1° | 119.7° |
| C2 | O1 | C17 | 125.2° | 106.8° |
| O1 | C17 | H171 | 109.6° | 109.5° |
| O1 | C17 | H172 | 109.5° | 109.4° |
| O1 | C17 | H173 | 109.5° | 109.4° |
| H171 | C17 | H172 | 109.4° | 109.5° |
| H171 | C17 | H173 | 109.4° | 109.5° |
| H172 | C17 | H173 | 109.4° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H181 | C18 | H183 | 109.5° | 109.4° |
| H182 | C18 | H183 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | C2 | H1 | 179.8° | 179.8° |
| C1 | C6 | C5 | C10 | 179.7° | 179.8° |
| C1 | C6 | C5 | C7 | 178.9° | 179.8° |
| C1 | C6 | C5 | C4 | 1.7° | 0.2° |
| C1 | C6 | C10 | C9 | 176.1° | 179.8° |
| C1 | C6 | C10 | C11 | 21.3° | 0.2° |
| C6 | C1 | C2 | C3 | 0.2° | 0.5° |
| C6 | C1 | C2 | O1 | 179.9° | 179.8° |
| C2 | C1 | C6 | C5 | 1.4° | 0.4° |
| C2 | C1 | C6 | C10 | 178.9° | 179.7° |
| C1 | C2 | C3 | C4 | 0.6° | 0.3° |
| C1 | C2 | C3 | O1 | 179.9° | 179.8° |
| C1 | C2 | C3 | H3 | 179.4° | 179.7° |
| C1 | C2 | O1 | C17 | 20.8° | 179.7° |
| H1 | C1 | C6 | C5 | 178.8° | 179.8° |
| H1 | C1 | C6 | C10 | 0.9° | 0.0° |
| H1 | C1 | C2 | C3 | 180.0° | 179.8° |
| H1 | C1 | C2 | O1 | 0.1° | 0.0° |
| C6 | C5 | C7 | C4 | 179.3° | 180.0° |
| C6 | C5 | C7 | C8 | 1.8° | 0.1° |
| C6 | C5 | C7 | H7 | 178.3° | 180.0° |
| C5 | C6 | C10 | C9 | 3.6° | 0.0° |
| C5 | C6 | C10 | C11 | 159.0° | 179.9° |
| C6 | C5 | C4 | C3 | 1.0° | 0.0° |
| C6 | C5 | C4 | C18 | 178.1° | 180.0° |
| C10 | C6 | C5 | C7 | 0.8° | 0.1° |
| C10 | C6 | C5 | C4 | 178.5° | 179.9° |
| C6 | C10 | C9 | C8 | 4.0° | 0.0° |
| C6 | C10 | C9 | C11 | 162.9° | 180.0° |
| C6 | C10 | C9 | O2 | 178.0° | 179.9° |
| C6 | C10 | C11 | O3 | 170.6° | 90.0° |
| C6 | C10 | C11 | O4 | 7.4° | 90.0° |
| C5 | C7 | C8 | H7 | 179.9° | 179.9° |
| C5 | C7 | C8 | C9 | 1.4° | 0.0° |
| C5 | C7 | C8 | H8 | 178.5° | 180.0° |
| C7 | C5 | C4 | C3 | 179.7° | 180.0° |
| C7 | C5 | C4 | C18 | 1.2° | 0.0° |
| C4 | C5 | C7 | C8 | 178.9° | 179.9° |
| C4 | C5 | C7 | H7 | 1.0° | 0.0° |
| C5 | C4 | C3 | C18 | 179.2° | 179.9° |
| C5 | C4 | C3 | C2 | 0.2° | 0.1° |
| C5 | C4 | C3 | H3 | 179.8° | 179.9° |
| C5 | C4 | C18 | H181 | 28.7° | 90.0° |
| C5 | C4 | C18 | H182 | 148.6° | 30.1° |
| C5 | C4 | C18 | H183 | 91.4° | 150.1° |
| C7 | C8 | C9 | H8 | 179.9° | 180.0° |
| C7 | C8 | C9 | C10 | 1.6° | 0.0° |
| C7 | C8 | C9 | O2 | 179.7° | 179.9° |
| H7 | C7 | C8 | C9 | 178.7° | 180.0° |
| H7 | C7 | C8 | H8 | 1.4° | 0.0° |
| C8 | C9 | C10 | O2 | 178.0° | 179.9° |
| C8 | C9 | C10 | C11 | 158.9° | 180.0° |
| C8 | C9 | O2 | H2 | 111.0° | 89.9° |
| H8 | C8 | C9 | C10 | 178.5° | 180.0° |
| H8 | C8 | C9 | O2 | 0.4° | 0.1° |
| C9 | C10 | C11 | O3 | 27.2° | 90.0° |
| C9 | C10 | C11 | O4 | 154.8° | 90.0° |
| C10 | C9 | O2 | H2 | 67.1° | 90.0° |
| O2 | C9 | C10 | C11 | 19.1° | 0.1° |
| C10 | C11 | O3 | O4 | 178.2° | 180.0° |
| C10 | C11 | O4 | C12 | 155.6° | 180.0° |
| O3 | C11 | O4 | C12 | 26.3° | 0.0° |
| C11 | O4 | C12 | C13 | 165.3° | 153.3° |
| C11 | O4 | C12 | C16 | 51.4° | 94.7° |
| C11 | O4 | C12 | H12 | 53.4° | 29.3° |
| O4 | C12 | C13 | C16 | 117.8° | 118.0° |
| O4 | C12 | C13 | H12 | 129.7° | 123.9° |
| O4 | C12 | C16 | H12 | 108.2° | 123.9° |
| O4 | C12 | C13 | C14 | 96.5° | 142.6° |
| O4 | C12 | C13 | O5 | 144.0° | 98.4° |
| O4 | C12 | C13 | H13 | 23.1° | 23.8° |
| O4 | C12 | C16 | C15 | 96.1° | 142.7° |
| O4 | C12 | C16 | O6 | 146.9° | 98.5° |
| O4 | C12 | C16 | H16 | 21.2° | 23.8° |
| C13 | C12 | C16 | H12 | 132.4° | 118.1° |
| C12 | C13 | C14 | O5 | 120.0° | 118.8° |
| C12 | C13 | C14 | H13 | 120.0° | 118.8° |
| C12 | C13 | O5 | H13 | 121.0° | 122.3° |
| C12 | C13 | C14 | C15 | 10.6° | 16.4° |
| C12 | C13 | C14 | H14 | 169.3° | 163.5° |
| C13 | C12 | C16 | C15 | 23.3° | 24.6° |
| C13 | C12 | C16 | O6 | 93.7° | 143.5° |
| C13 | C12 | C16 | H16 | 140.6° | 94.2° |
| C12 | C13 | O5 | H5 | 60.4° | 180.0° |
| C16 | C12 | C13 | C14 | 21.4° | 24.6° |
| C16 | C12 | C13 | O5 | 98.1° | 143.6° |
| C16 | C12 | C13 | H13 | 140.9° | 94.2° |
| C12 | C16 | C15 | C14 | 17.8° | 16.4° |
| C12 | C16 | C15 | O6 | 119.8° | 118.9° |
| C12 | C16 | C15 | H16 | 120.2° | 118.8° |
| C12 | C16 | C15 | H15 | 162.1° | 163.5° |
| C12 | C16 | O6 | H16 | 126.6° | 122.4° |
| C12 | C16 | O6 | H6 | 82.0° | 176.8° |
| H12 | C12 | C13 | C14 | 133.8° | 93.5° |
| H12 | C12 | C13 | O5 | 14.3° | 25.5° |
| H12 | C12 | C13 | H13 | 106.7° | 147.7° |
| H12 | C12 | C16 | C15 | 155.7° | 93.4° |
| H12 | C12 | C16 | O6 | 38.7° | 25.4° |
| H12 | C12 | C16 | H16 | 87.0° | 147.7° |
| C14 | C13 | O5 | H13 | 119.5° | 122.4° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 4.8° | 0.0° |
| C13 | C14 | C15 | H15 | 175.1° | 180.0° |
| C14 | C13 | O5 | H5 | 179.9° | 64.6° |
| O5 | C13 | C14 | C15 | 109.3° | 135.3° |
| O5 | C13 | C14 | H14 | 70.7° | 44.7° |
| H13 | C13 | C14 | C15 | 130.7° | 102.4° |
| H13 | C13 | C14 | H14 | 49.3° | 77.7° |
| H13 | C13 | O5 | H5 | 60.6° | 57.8° |
| C14 | C15 | C16 | H15 | 179.9° | 180.0° |
| C14 | C15 | C16 | O6 | 102.0° | 135.3° |
| C14 | C15 | C16 | H16 | 138.0° | 102.4° |
| H14 | C14 | C15 | C16 | 175.3° | 180.0° |
| H14 | C14 | C15 | H15 | 4.8° | 0.0° |
| C15 | C16 | O6 | H16 | 118.3° | 122.3° |
| C15 | C16 | O6 | H6 | 33.1° | 61.5° |
| H15 | C15 | C16 | O6 | 78.1° | 44.6° |
| H15 | C15 | C16 | H16 | 41.9° | 77.6° |
| H16 | C16 | O6 | H6 | 151.4° | 60.8° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | O1 | 179.3° | 180.0° |
| C3 | C4 | C18 | H181 | 152.2° | 89.9° |
| C3 | C4 | C18 | H182 | 32.2° | 150.0° |
| C3 | C4 | C18 | H183 | 87.8° | 30.0° |
| C18 | C4 | C3 | C2 | 179.4° | 180.0° |
| C18 | C4 | C3 | H3 | 0.6° | 0.0° |
| C4 | C18 | H181 | H182 | 120.0° | 120.0° |
| C4 | C18 | H181 | H183 | 120.0° | 120.0° |
| C4 | C18 | H182 | H183 | 120.0° | 120.0° |
| C3 | C2 | O1 | C17 | 159.3° | 0.1° |
| H3 | C3 | C2 | O1 | 0.7° | 0.0° |
| C2 | O1 | C17 | H171 | 180.0° | 60.0° |
| C2 | O1 | C17 | H172 | 60.0° | 60.1° |
| C2 | O1 | C17 | H173 | 60.0° | 180.0° |
| O1 | C17 | H171 | H172 | 120.1° | 120.0° |
| O1 | C17 | H171 | H173 | 120.1° | 120.0° |
| O1 | C17 | H172 | H173 | 120.1° | 119.9° |
| H171 | C17 | H172 | H173 | 119.8° | 120.1° |
| H181 | C18 | H182 | H183 | 120.0° | 120.0° |
