ID6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C14 | sing | 1.74Å | 1.74Å | |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | N | sing | 1.47Å | 1.47Å | |
| N | C8 | sing | 1.35Å | 1.40Å | Aromatic |
| N | C17 | sing | 1.36Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.49Å | |
| C8 | C7 | doub | 1.37Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.49Å | |
| C17 | C19 | doub | 1.36Å | 1.38Å | Aromatic |
| C19 | C | sing | 1.47Å | 1.48Å | |
| C19 | C7 | sing | 1.48Å | 1.47Å | Aromatic |
| C | O | doub | 1.22Å | 1.24Å | |
| C | C1 | sing | 1.41Å | 1.44Å | |
| C7 | C4 | sing | 1.46Å | 1.49Å | |
| C4 | O1 | sing | 1.35Å | 1.36Å | |
| C4 | C3 | doub | 1.38Å | 1.36Å | |
| O1 | C5 | sing | 1.43Å | 1.46Å | |
| C5 | C6 | sing | 1.53Å | 1.48Å | |
| C3 | C2 | sing | 1.39Å | 1.41Å | |
| C2 | C1 | doub | 1.37Å | 1.38Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C9 | H93C | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C6 | H63C | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C14 | C13 | 119.4° | 120.0° |
| CL | C14 | C15 | 119.4° | 120.0° |
| C13 | C14 | C15 | 121.2° | 120.0° |
| C14 | C13 | C12 | 119.1° | 120.0° |
| C14 | C13 | H13 | 120.5° | 120.0° |
| C14 | C15 | C16 | 119.1° | 120.0° |
| C14 | C15 | H15 | 120.5° | 120.0° |
| C13 | C12 | C11 | 121.1° | 120.0° |
| C12 | C13 | H13 | 120.5° | 120.0° |
| C13 | C12 | H12 | 119.4° | 120.0° |
| C12 | C11 | C16 | 118.4° | 120.0° |
| C12 | C11 | C10 | 121.6° | 120.0° |
| C11 | C12 | H12 | 119.5° | 120.0° |
| C15 | C16 | C11 | 121.2° | 120.0° |
| C16 | C15 | H15 | 120.5° | 120.0° |
| C15 | C16 | H16 | 119.4° | 120.0° |
| C16 | C11 | C10 | 120.0° | 120.0° |
| C11 | C16 | H16 | 119.4° | 120.0° |
| C11 | C10 | N | 114.5° | 109.4° |
| C11 | C10 | H101 | 108.2° | 109.5° |
| C11 | C10 | H102 | 108.2° | 109.5° |
| C10 | N | C8 | 122.9° | 124.5° |
| C10 | N | C17 | 126.2° | 124.5° |
| N | C10 | H101 | 108.2° | 109.5° |
| N | C10 | H102 | 108.2° | 109.5° |
| C8 | N | C17 | 110.7° | 111.0° |
| N | C8 | C9 | 121.9° | 125.9° |
| N | C8 | C7 | 107.1° | 108.3° |
| N | C17 | C18 | 122.3° | 125.7° |
| N | C17 | C19 | 107.0° | 108.7° |
| C9 | C8 | C7 | 131.1° | 125.8° |
| C8 | C9 | H91C | 109.5° | 109.5° |
| C8 | C9 | H92C | 109.5° | 109.5° |
| C8 | C9 | H93C | 109.5° | 109.4° |
| C8 | C7 | C19 | 107.6° | 105.9° |
| C8 | C7 | C4 | 125.5° | 126.4° |
| C18 | C17 | C19 | 130.7° | 125.7° |
| C17 | C18 | H181 | 109.5° | 109.4° |
| C17 | C18 | H182 | 109.5° | 109.5° |
| C17 | C18 | H183 | 109.5° | 109.5° |
| C17 | C19 | C | 123.7° | 126.5° |
| C17 | C19 | C7 | 107.7° | 106.1° |
| C | C19 | C7 | 128.6° | 127.4° |
| C19 | C | O | 120.5° | 116.6° |
| C19 | C | C1 | 120.2° | 126.8° |
| C19 | C7 | C4 | 126.8° | 127.6° |
| O | C | C1 | 119.2° | 116.6° |
| C | C1 | C2 | 131.8° | 129.4° |
| C | C1 | H1 | 114.1° | 115.3° |
| C7 | C4 | O1 | 109.7° | 116.4° |
| C7 | C4 | C3 | 127.3° | 127.3° |
| O1 | C4 | C3 | 122.4° | 116.4° |
| C4 | O1 | C5 | 120.6° | 117.0° |
| C4 | C3 | C2 | 129.6° | 129.8° |
| C4 | C3 | H3 | 115.2° | 115.1° |
| O1 | C5 | C6 | 108.6° | 109.4° |
| O1 | C5 | H51C | 109.7° | 109.4° |
| O1 | C5 | H52C | 109.7° | 109.5° |
| C6 | C5 | H51C | 109.7° | 109.5° |
| C6 | C5 | H52C | 109.7° | 109.5° |
| C5 | C6 | H61C | 109.5° | 109.4° |
| C5 | C6 | H62C | 109.4° | 109.5° |
| C5 | C6 | H63C | 109.5° | 109.4° |
| C3 | C2 | C1 | 129.2° | 131.6° |
| C2 | C3 | H3 | 115.2° | 115.1° |
| C3 | C2 | H2 | 115.4° | 114.2° |
| C2 | C1 | H1 | 114.1° | 115.2° |
| C1 | C2 | H2 | 115.4° | 114.2° |
| H101 | C10 | H102 | 109.4° | 109.4° |
| H91C | C9 | H92C | 109.5° | 109.5° |
| H91C | C9 | H93C | 109.4° | 109.5° |
| H92C | C9 | H93C | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.4° |
| H181 | C18 | H183 | 109.5° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.5° |
| H51C | C5 | H52C | 109.5° | 109.5° |
| H61C | C6 | H62C | 109.5° | 109.5° |
| H61C | C6 | H63C | 109.5° | 109.5° |
| H62C | C6 | H63C | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C14 | C13 | C15 | 179.4° | 179.8° |
| CL | C14 | C13 | C12 | 179.6° | 180.0° |
| CL | C14 | C15 | C16 | 179.7° | 180.0° |
| CL | C14 | C13 | H13 | 0.4° | 0.1° |
| CL | C14 | C15 | H15 | 0.4° | 0.1° |
| C14 | C13 | C12 | H13 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 0.3° | 0.1° |
| C13 | C14 | C15 | C16 | 0.3° | 0.2° |
| C13 | C14 | C15 | H15 | 179.8° | 179.7° |
| C14 | C13 | C12 | H12 | 179.7° | 180.0° |
| C15 | C14 | C13 | C12 | 0.2° | 0.2° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C11 | 0.2° | 0.0° |
| C15 | C14 | C13 | H13 | 179.8° | 179.8° |
| C14 | C15 | C16 | H16 | 179.8° | 179.9° |
| C13 | C12 | C11 | H12 | 180.0° | 180.0° |
| C13 | C12 | C11 | C16 | 0.7° | 0.3° |
| C13 | C12 | C11 | C10 | 177.3° | 180.0° |
| C12 | C11 | C16 | C15 | 0.7° | 0.2° |
| C12 | C11 | C16 | C10 | 178.1° | 179.8° |
| C12 | C11 | C10 | N | 14.2° | 90.0° |
| C11 | C12 | C13 | H13 | 179.7° | 180.0° |
| C12 | C11 | C16 | H16 | 179.3° | 179.7° |
| C12 | C11 | C10 | H101 | 106.6° | 150.0° |
| C12 | C11 | C10 | H102 | 134.9° | 30.0° |
| C15 | C16 | C11 | H16 | 180.0° | 179.9° |
| C15 | C16 | C11 | C10 | 177.4° | 180.0° |
| C16 | C11 | C10 | N | 167.8° | 89.8° |
| C11 | C16 | C15 | H15 | 179.8° | 179.9° |
| C16 | C11 | C12 | H12 | 179.3° | 179.8° |
| C16 | C11 | C10 | H101 | 71.4° | 30.2° |
| C16 | C11 | C10 | H102 | 47.1° | 150.2° |
| C11 | C10 | N | H101 | 120.8° | 120.0° |
| C11 | C10 | N | H102 | 120.8° | 120.0° |
| C11 | C10 | N | C8 | 95.0° | 90.0° |
| C11 | C10 | N | C17 | 90.0° | 90.3° |
| C10 | C11 | C12 | H12 | 2.7° | 0.0° |
| C10 | C11 | C16 | H16 | 2.7° | 0.1° |
| C11 | C10 | H101 | H102 | 117.7° | 120.1° |
| C10 | N | C8 | C17 | 175.7° | 179.7° |
| C10 | N | C8 | C9 | 5.9° | 0.1° |
| C10 | N | C8 | C7 | 174.6° | 179.9° |
| C10 | N | C17 | C18 | 4.3° | 0.0° |
| C10 | N | C17 | C19 | 174.7° | 179.9° |
| N | C10 | H101 | H102 | 117.7° | 120.0° |
| N | C8 | C9 | C7 | 179.4° | 179.9° |
| C8 | N | C17 | C18 | 179.8° | 179.7° |
| C8 | N | C17 | C19 | 0.8° | 0.2° |
| N | C8 | C7 | C19 | 0.9° | 0.2° |
| N | C8 | C7 | C4 | 175.6° | 180.0° |
| C8 | N | C10 | H101 | 25.8° | 30.0° |
| C8 | N | C10 | H102 | 144.2° | 149.9° |
| N | C8 | C9 | H91C | 90.2° | 90.0° |
| N | C8 | C9 | H92C | 149.8° | 149.9° |
| N | C8 | C9 | H93C | 29.7° | 29.9° |
| C17 | N | C8 | C9 | 178.4° | 179.8° |
| C17 | N | C8 | C7 | 1.1° | 0.2° |
| N | C17 | C18 | C19 | 178.8° | 179.9° |
| N | C17 | C19 | C | 179.3° | 180.0° |
| N | C17 | C19 | C7 | 0.2° | 0.1° |
| C17 | N | C10 | H101 | 149.2° | 149.6° |
| C17 | N | C10 | H102 | 30.8° | 29.7° |
| N | C17 | C18 | H181 | 90.5° | 90.1° |
| N | C17 | C18 | H182 | 149.5° | 150.0° |
| N | C17 | C18 | H183 | 29.5° | 30.0° |
| C9 | C8 | C7 | C19 | 178.5° | 179.9° |
| C9 | C8 | C7 | C4 | 4.9° | 0.0° |
| C8 | C9 | H91C | H92C | 120.0° | 120.1° |
| C8 | C9 | H91C | H93C | 120.0° | 120.0° |
| C8 | C9 | H92C | H93C | 120.0° | 120.0° |
| C8 | C7 | C19 | C17 | 0.5° | 0.0° |
| C8 | C7 | C19 | C | 180.0° | 179.9° |
| C8 | C7 | C19 | C4 | 176.5° | 179.8° |
| C8 | C7 | C4 | O1 | 5.0° | 0.0° |
| C8 | C7 | C4 | C3 | 166.6° | 180.0° |
| C7 | C8 | C9 | H91C | 90.4° | 90.0° |
| C7 | C8 | C9 | H92C | 29.6° | 30.0° |
| C7 | C8 | C9 | H93C | 149.7° | 150.0° |
| C18 | C17 | C19 | C | 0.4° | 0.1° |
| C18 | C17 | C19 | C7 | 179.1° | 179.8° |
| C17 | C18 | H181 | H182 | 120.0° | 119.9° |
| C17 | C18 | H181 | H183 | 120.0° | 120.0° |
| C17 | C18 | H182 | H183 | 120.0° | 120.0° |
| C17 | C19 | C | C7 | 179.4° | 179.9° |
| C17 | C19 | C | O | 28.2° | 0.0° |
| C17 | C19 | C | C1 | 153.3° | 179.9° |
| C17 | C19 | C7 | C4 | 176.0° | 179.9° |
| C19 | C17 | C18 | H181 | 90.7° | 90.0° |
| C19 | C17 | C18 | H182 | 29.3° | 29.9° |
| C19 | C17 | C18 | H183 | 149.3° | 150.0° |
| C19 | C | O | C1 | 178.6° | 179.9° |
| C | C19 | C7 | C4 | 3.5° | 0.0° |
| C19 | C | C1 | C2 | 30.9° | 0.1° |
| C19 | C | C1 | H1 | 149.1° | 180.0° |
| C7 | C19 | C | O | 152.5° | 179.8° |
| C7 | C19 | C | C1 | 26.1° | 0.2° |
| C19 | C7 | C4 | O1 | 179.1° | 179.9° |
| C19 | C7 | C4 | C3 | 9.3° | 0.2° |
| O | C | C1 | C2 | 147.7° | 179.9° |
| O | C | C1 | H1 | 32.4° | 0.0° |
| C | C1 | C2 | C3 | 9.9° | 0.2° |
| C | C1 | C2 | H1 | 180.0° | 179.9° |
| C | C1 | C2 | H2 | 170.1° | 179.9° |
| C7 | C4 | O1 | C3 | 172.0° | 179.9° |
| C7 | C4 | O1 | C5 | 150.8° | 180.0° |
| C7 | C4 | C3 | C2 | 1.8° | 0.1° |
| C7 | C4 | C3 | H3 | 178.2° | 180.0° |
| C4 | O1 | C5 | C6 | 142.6° | 180.0° |
| O1 | C4 | C3 | C2 | 168.7° | 180.0° |
| O1 | C4 | C3 | H3 | 11.3° | 0.1° |
| C4 | O1 | C5 | H51C | 97.5° | 60.0° |
| C4 | O1 | C5 | H52C | 22.8° | 60.0° |
| C3 | C4 | O1 | C5 | 37.1° | 0.1° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 9.5° | 0.2° |
| C4 | C3 | C2 | H2 | 170.5° | 180.0° |
| O1 | C5 | C6 | H51C | 119.9° | 120.0° |
| O1 | C5 | C6 | H52C | 119.8° | 120.0° |
| O1 | C5 | H51C | H52C | 120.4° | 120.0° |
| O1 | C5 | C6 | H61C | 180.0° | 60.0° |
| O1 | C5 | C6 | H62C | 60.0° | 60.1° |
| O1 | C5 | C6 | H63C | 60.0° | 180.0° |
| C6 | C5 | H51C | H52C | 120.4° | 120.1° |
| C5 | C6 | H61C | H62C | 120.0° | 120.1° |
| C5 | C6 | H61C | H63C | 120.0° | 120.0° |
| C5 | C6 | H62C | H63C | 120.0° | 120.0° |
| C3 | C2 | C1 | H2 | 180.0° | 179.8° |
| C3 | C2 | C1 | H1 | 170.1° | 179.8° |
| C1 | C2 | C3 | H3 | 170.5° | 179.7° |
| H13 | C13 | C12 | H12 | 0.3° | 0.0° |
| H15 | C15 | C16 | H16 | 0.3° | 0.0° |
| H91C | C9 | H92C | H93C | 120.0° | 120.0° |
| H181 | C18 | H182 | H183 | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 9.9° | 0.0° |
| H3 | C3 | C2 | H2 | 9.5° | 0.0° |
| H51C | C5 | C6 | H61C | 60.2° | 180.0° |
| H51C | C5 | C6 | H62C | 179.9° | 59.9° |
| H51C | C5 | C6 | H63C | 59.9° | 60.0° |
| H52C | C5 | C6 | H61C | 60.2° | 60.0° |
| H52C | C5 | C6 | H62C | 59.8° | 179.9° |
| H52C | C5 | C6 | H63C | 179.8° | 60.0° |
| H61C | C6 | H62C | H63C | 120.0° | 120.0° |
