9CH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C17 | sing | 1.74Å | 1.72Å | |
| C17 | C16 | doub | 1.38Å | 1.43Å | Aromatic |
| C17 | C19 | sing | 1.39Å | 1.32Å | Aromatic |
| CL2 | C19 | sing | 1.74Å | 1.72Å | |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.40Å | 1.36Å | Aromatic |
| C21 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.48Å | 1.47Å | |
| C13 | N12 | doub | 1.31Å | 1.36Å | Aromatic |
| C13 | O22 | sing | 1.35Å | 1.34Å | Aromatic |
| N12 | N11 | sing | 1.29Å | 1.37Å | Aromatic |
| O22 | C10 | sing | 1.34Å | 1.39Å | Aromatic |
| N11 | C10 | doub | 1.30Å | 1.34Å | Aromatic |
| C10 | C09 | sing | 1.51Å | 1.49Å | |
| O32 | C06 | doub | 1.22Å | 1.32Å | |
| C09 | N08 | sing | 1.47Å | 1.49Å | |
| C05 | N04 | sing | 1.46Å | 1.47Å | |
| C06 | N04 | sing | 1.35Å | 1.34Å | |
| C06 | C07 | sing | 1.41Å | 1.41Å | |
| N04 | C03 | sing | 1.34Å | 1.33Å | |
| N08 | C07 | sing | 1.39Å | 1.38Å | Aromatic |
| N08 | C23 | sing | 1.36Å | 1.32Å | Aromatic |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C25 | N24 | sing | 1.47Å | 1.42Å | |
| C07 | C31 | doub | 1.39Å | 1.37Å | Aromatic |
| C26 | N27 | sing | 1.47Å | 1.43Å | |
| C03 | O33 | doub | 1.22Å | 1.31Å | |
| C03 | N02 | sing | 1.35Å | 1.36Å | |
| C23 | N24 | sing | 1.38Å | 1.43Å | |
| C23 | N30 | doub | 1.32Å | 1.36Å | Aromatic |
| N24 | C29 | sing | 1.47Å | 1.41Å | |
| C31 | N02 | sing | 1.39Å | 1.36Å | |
| C31 | N30 | sing | 1.33Å | 1.38Å | Aromatic |
| N27 | C28 | sing | 1.47Å | 1.43Å | |
| N02 | C01 | sing | 1.47Å | 1.39Å | |
| C29 | C28 | sing | 1.53Å | 1.50Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| N27 | H16 | sing | 1.01Å | 1.00Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C17 | C16 | 120.3° | 119.8° |
| CL1 | C17 | C19 | 119.3° | 119.9° |
| C16 | C17 | C19 | 120.3° | 120.3° |
| C17 | C16 | C15 | 119.2° | 120.1° |
| C17 | C16 | H10 | 120.4° | 120.0° |
| C17 | C19 | CL2 | 118.9° | 120.0° |
| C17 | C19 | C21 | 121.0° | 120.1° |
| CL2 | C19 | C21 | 120.1° | 120.0° |
| C16 | C15 | C14 | 118.9° | 119.9° |
| C16 | C15 | H9 | 120.6° | 120.1° |
| C15 | C16 | H10 | 120.4° | 119.9° |
| C19 | C21 | C14 | 118.9° | 119.9° |
| C19 | C21 | H11 | 120.6° | 120.0° |
| C15 | C14 | C21 | 121.7° | 119.8° |
| C15 | C14 | C13 | 121.1° | 120.1° |
| C14 | C15 | H9 | 120.5° | 120.1° |
| C21 | C14 | C13 | 117.2° | 120.1° |
| C14 | C21 | H11 | 120.6° | 120.1° |
| C14 | C13 | N12 | 128.3° | 126.4° |
| C14 | C13 | O22 | 122.2° | 126.3° |
| N12 | C13 | O22 | 109.5° | 107.3° |
| C13 | N12 | N11 | 107.3° | 109.3° |
| C13 | O22 | C10 | 106.7° | 106.3° |
| N12 | N11 | C10 | 107.7° | 109.5° |
| O22 | C10 | N11 | 108.8° | 107.6° |
| O22 | C10 | C09 | 123.1° | 126.2° |
| N11 | C10 | C09 | 128.1° | 126.2° |
| C10 | C09 | N08 | 114.9° | 109.5° |
| C10 | C09 | H7 | 108.1° | 109.5° |
| C10 | C09 | H8 | 108.1° | 109.5° |
| O32 | C06 | N04 | 118.1° | 120.4° |
| O32 | C06 | C07 | 120.7° | 120.3° |
| C09 | N08 | C07 | 124.6° | 126.6° |
| C09 | N08 | C23 | 126.1° | 126.6° |
| N08 | C09 | H7 | 108.1° | 109.5° |
| N08 | C09 | H8 | 108.1° | 109.5° |
| C05 | N04 | C06 | 120.1° | 119.5° |
| C05 | N04 | C03 | 120.7° | 119.5° |
| N04 | C05 | H4 | 109.5° | 109.5° |
| N04 | C05 | H5 | 109.5° | 109.5° |
| N04 | C05 | H6 | 109.5° | 109.5° |
| N04 | C06 | C07 | 121.2° | 119.3° |
| C06 | N04 | C03 | 119.2° | 121.0° |
| C06 | C07 | N08 | 135.0° | 134.5° |
| C06 | C07 | C31 | 118.5° | 119.2° |
| N04 | C03 | O33 | 118.1° | 119.2° |
| N04 | C03 | N02 | 121.2° | 121.7° |
| C07 | N08 | C23 | 109.3° | 106.7° |
| N08 | C07 | C31 | 106.5° | 106.4° |
| N08 | C23 | N24 | 125.0° | 125.3° |
| N08 | C23 | N30 | 108.8° | 109.4° |
| C26 | C25 | N24 | 112.2° | 109.3° |
| C25 | C26 | N27 | 112.1° | 109.4° |
| C26 | C25 | H12 | 108.8° | 109.5° |
| C26 | C25 | H13 | 108.8° | 109.5° |
| C25 | C26 | H14 | 108.8° | 109.5° |
| C25 | C26 | H15 | 108.8° | 109.5° |
| C25 | N24 | C23 | 119.8° | 111.0° |
| C25 | N24 | C29 | 115.7° | 110.9° |
| N24 | C25 | H12 | 108.8° | 109.5° |
| N24 | C25 | H13 | 108.8° | 109.5° |
| C07 | C31 | N02 | 118.0° | 118.8° |
| C07 | C31 | N30 | 107.6° | 107.5° |
| C26 | N27 | C28 | 115.7° | 110.9° |
| N27 | C26 | H14 | 108.8° | 109.5° |
| N27 | C26 | H15 | 108.8° | 109.5° |
| C26 | N27 | H16 | 107.9° | 111.0° |
| O33 | C03 | N02 | 120.7° | 119.2° |
| C03 | N02 | C31 | 121.9° | 120.0° |
| C03 | N02 | C01 | 119.2° | 120.0° |
| N24 | C23 | N30 | 126.2° | 125.3° |
| C23 | N24 | C29 | 120.3° | 111.0° |
| C23 | N30 | C31 | 107.7° | 110.0° |
| N24 | C29 | C28 | 110.7° | 109.4° |
| N24 | C29 | H20 | 109.2° | 109.5° |
| N24 | C29 | H21 | 109.2° | 109.5° |
| N02 | C31 | N30 | 134.3° | 133.7° |
| C31 | N02 | C01 | 118.9° | 119.9° |
| N27 | C28 | C29 | 110.1° | 109.4° |
| C28 | N27 | H16 | 107.9° | 111.0° |
| N27 | C28 | H18 | 109.3° | 109.5° |
| N27 | C28 | H19 | 109.3° | 109.5° |
| N02 | C01 | H1 | 109.5° | 109.4° |
| N02 | C01 | H2 | 109.5° | 109.5° |
| N02 | C01 | H3 | 109.4° | 109.5° |
| C29 | C28 | H18 | 109.3° | 109.5° |
| C29 | C28 | H19 | 109.3° | 109.5° |
| C28 | C29 | H20 | 109.2° | 109.5° |
| C28 | C29 | H21 | 109.2° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C05 | H5 | 109.5° | 109.4° |
| H4 | C05 | H6 | 109.4° | 109.5° |
| H5 | C05 | H6 | 109.5° | 109.5° |
| H7 | C09 | H8 | 109.5° | 109.4° |
| H12 | C25 | H13 | 109.5° | 109.5° |
| H14 | C26 | H15 | 109.5° | 109.5° |
| H18 | C28 | H19 | 109.5° | 109.5° |
| H20 | C29 | H21 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C17 | C16 | C19 | 179.2° | 180.0° |
| CL1 | C17 | C19 | CL2 | 0.1° | 0.0° |
| CL1 | C17 | C16 | C15 | 179.6° | 180.0° |
| CL1 | C17 | C19 | C21 | 180.0° | 179.8° |
| CL1 | C17 | C16 | H10 | 0.4° | 0.0° |
| C16 | C17 | C19 | CL2 | 179.1° | 180.0° |
| C17 | C16 | C15 | H10 | 180.0° | 180.0° |
| C16 | C17 | C19 | C21 | 0.9° | 0.2° |
| C17 | C16 | C15 | C14 | 1.3° | 0.0° |
| C17 | C16 | C15 | H9 | 178.7° | 180.0° |
| C17 | C19 | CL2 | C21 | 179.9° | 179.8° |
| C19 | C17 | C16 | C15 | 1.2° | 0.0° |
| C17 | C19 | C21 | C14 | 0.6° | 0.4° |
| C19 | C17 | C16 | H10 | 178.8° | 180.0° |
| C17 | C19 | C21 | H11 | 179.4° | 180.0° |
| CL2 | C19 | C21 | C14 | 179.3° | 179.8° |
| CL2 | C19 | C21 | H11 | 0.7° | 0.2° |
| C16 | C15 | C14 | H9 | 180.0° | 179.9° |
| C16 | C15 | C14 | C21 | 1.1° | 0.2° |
| C16 | C15 | C14 | C13 | 179.0° | 180.0° |
| C19 | C21 | C14 | C15 | 0.7° | 0.4° |
| C19 | C21 | C14 | H11 | 180.0° | 179.6° |
| C19 | C21 | C14 | C13 | 179.4° | 179.8° |
| C15 | C14 | C21 | C13 | 179.9° | 179.8° |
| C15 | C14 | C13 | N12 | 2.5° | 0.0° |
| C15 | C14 | C13 | O22 | 176.5° | 179.7° |
| C14 | C15 | C16 | H10 | 178.7° | 179.9° |
| C15 | C14 | C21 | H11 | 179.3° | 180.0° |
| C21 | C14 | C13 | N12 | 177.5° | 179.8° |
| C21 | C14 | C13 | O22 | 3.6° | 0.0° |
| C21 | C14 | C15 | H9 | 178.9° | 179.8° |
| C14 | C13 | N12 | O22 | 179.0° | 179.8° |
| C14 | C13 | N12 | N11 | 179.4° | 180.0° |
| C14 | C13 | O22 | C10 | 179.6° | 179.8° |
| C13 | C14 | C15 | H9 | 1.0° | 0.0° |
| C13 | C14 | C21 | H11 | 0.6° | 0.2° |
| N12 | C13 | O22 | C10 | 0.5° | 0.4° |
| C13 | N12 | N11 | C10 | 0.1° | 0.1° |
| O22 | C13 | N12 | N11 | 0.4° | 0.2° |
| C13 | O22 | C10 | N11 | 0.4° | 0.5° |
| C13 | O22 | C10 | C09 | 178.6° | 179.9° |
| N12 | N11 | C10 | O22 | 0.2° | 0.4° |
| N12 | N11 | C10 | C09 | 178.8° | 180.0° |
| O22 | C10 | N11 | C09 | 179.0° | 179.7° |
| O22 | C10 | C09 | N08 | 143.0° | 90.3° |
| O22 | C10 | C09 | H7 | 96.3° | 29.7° |
| O22 | C10 | C09 | H8 | 22.2° | 149.6° |
| N11 | C10 | C09 | N08 | 38.2° | 90.1° |
| N11 | C10 | C09 | H7 | 82.5° | 149.9° |
| N11 | C10 | C09 | H8 | 159.0° | 30.0° |
| C10 | C09 | N08 | H7 | 120.8° | 120.0° |
| C10 | C09 | N08 | H8 | 120.8° | 120.0° |
| C10 | C09 | N08 | C07 | 87.6° | 90.5° |
| C10 | C09 | N08 | C23 | 95.1° | 89.5° |
| C10 | C09 | H7 | H8 | 117.6° | 120.0° |
| O32 | C06 | N04 | C05 | 0.4° | 0.0° |
| O32 | C06 | N04 | C07 | 179.9° | 180.0° |
| O32 | C06 | N04 | C03 | 179.7° | 180.0° |
| O32 | C06 | C07 | N08 | 1.7° | 0.0° |
| O32 | C06 | C07 | C31 | 179.4° | 179.7° |
| C09 | N08 | C07 | C06 | 3.2° | 0.0° |
| C09 | N08 | C07 | C23 | 177.7° | 180.0° |
| C09 | N08 | C07 | C31 | 178.9° | 179.7° |
| C09 | N08 | C23 | N24 | 1.8° | 0.0° |
| C09 | N08 | C23 | N30 | 178.6° | 179.9° |
| N08 | C09 | H7 | H8 | 117.5° | 120.0° |
| C05 | N04 | C06 | C03 | 179.9° | 179.9° |
| C05 | N04 | C06 | C07 | 179.5° | 180.0° |
| C05 | N04 | C03 | O33 | 0.0° | 0.0° |
| C05 | N04 | C03 | N02 | 179.7° | 180.0° |
| N04 | C05 | H4 | H5 | 120.0° | 120.0° |
| N04 | C05 | H4 | H6 | 120.0° | 120.0° |
| N04 | C05 | H5 | H6 | 120.0° | 120.0° |
| N04 | C06 | C07 | N08 | 178.5° | 180.0° |
| N04 | C06 | C07 | C31 | 0.8° | 0.3° |
| C06 | N04 | C03 | O33 | 179.9° | 180.0° |
| C06 | N04 | C03 | N02 | 0.4° | 0.1° |
| C06 | N04 | C05 | H4 | 180.0° | 180.0° |
| C06 | N04 | C05 | H5 | 60.0° | 60.0° |
| C06 | N04 | C05 | H6 | 60.0° | 60.0° |
| C07 | C06 | N04 | C03 | 0.4° | 0.1° |
| C06 | C07 | N08 | C31 | 177.9° | 179.8° |
| C06 | C07 | N08 | C23 | 179.1° | 180.0° |
| C06 | C07 | C31 | N02 | 0.3° | 0.5° |
| C06 | C07 | C31 | N30 | 179.3° | 179.8° |
| N04 | C03 | O33 | N02 | 179.7° | 179.9° |
| N04 | C03 | N02 | C31 | 0.9° | 0.3° |
| N04 | C03 | N02 | C01 | 179.6° | 180.0° |
| C03 | N04 | C05 | H4 | 0.2° | 0.0° |
| C03 | N04 | C05 | H5 | 119.9° | 120.0° |
| C03 | N04 | C05 | H6 | 120.1° | 120.0° |
| C07 | N08 | C23 | N24 | 179.4° | 180.0° |
| C07 | N08 | C23 | N30 | 0.9° | 0.0° |
| N08 | C07 | C31 | N02 | 178.6° | 179.7° |
| N08 | C07 | C31 | N30 | 1.0° | 0.3° |
| C07 | N08 | C09 | H7 | 151.6° | 29.5° |
| C07 | N08 | C09 | H8 | 33.2° | 149.5° |
| N08 | C23 | N24 | C25 | 52.8° | 116.3° |
| C23 | N08 | C07 | C31 | 1.2° | 0.2° |
| N08 | C23 | N24 | N30 | 179.6° | 180.0° |
| N08 | C23 | N24 | C29 | 151.2° | 119.9° |
| N08 | C23 | N30 | C31 | 0.3° | 0.2° |
| C23 | N08 | C09 | H7 | 25.7° | 150.5° |
| C23 | N08 | C09 | H8 | 144.1° | 30.6° |
| C26 | C25 | N24 | H12 | 120.4° | 119.9° |
| C26 | C25 | N24 | H13 | 120.4° | 120.0° |
| C25 | C26 | N27 | H14 | 120.4° | 120.0° |
| C25 | C26 | N27 | H15 | 120.4° | 120.0° |
| C26 | C25 | N24 | C23 | 153.0° | 176.8° |
| C26 | C25 | N24 | C29 | 49.9° | 59.3° |
| C25 | C26 | N27 | C28 | 48.6° | 59.3° |
| C26 | C25 | H12 | H13 | 118.7° | 120.1° |
| C25 | C26 | H14 | H15 | 118.8° | 120.0° |
| C25 | C26 | N27 | H16 | 72.3° | 64.5° |
| N24 | C25 | C26 | N27 | 44.7° | 58.4° |
| C25 | N24 | C23 | C29 | 156.0° | 123.8° |
| C25 | N24 | C23 | N30 | 126.8° | 63.8° |
| C25 | N24 | C29 | C28 | 54.6° | 59.3° |
| N24 | C25 | H12 | H13 | 118.8° | 120.1° |
| N24 | C25 | C26 | H14 | 165.1° | 178.4° |
| N24 | C25 | C26 | H15 | 75.7° | 61.6° |
| C25 | N24 | C29 | H20 | 174.8° | 179.3° |
| C25 | N24 | C29 | H21 | 65.5° | 60.7° |
| C07 | C31 | N02 | C03 | 0.5° | 0.5° |
| C07 | C31 | N30 | C23 | 0.5° | 0.3° |
| C07 | C31 | N02 | N30 | 179.5° | 179.2° |
| C07 | C31 | N02 | C01 | 180.0° | 179.8° |
| C26 | N27 | C28 | H16 | 120.9° | 123.8° |
| C26 | N27 | C28 | C29 | 53.0° | 59.2° |
| N27 | C26 | C25 | H12 | 165.1° | 61.6° |
| N27 | C26 | C25 | H13 | 75.7° | 178.3° |
| N27 | C26 | H14 | H15 | 118.8° | 120.0° |
| C26 | N27 | C28 | H18 | 173.2° | 179.3° |
| C26 | N27 | C28 | H19 | 67.1° | 60.7° |
| O33 | C03 | N02 | C31 | 179.4° | 179.8° |
| O33 | C03 | N02 | C01 | 0.1° | 0.1° |
| C03 | N02 | C31 | C01 | 179.5° | 179.7° |
| C03 | N02 | C31 | N30 | 180.0° | 179.6° |
| C03 | N02 | C01 | H1 | 180.0° | 0.1° |
| C03 | N02 | C01 | H2 | 60.0° | 120.0° |
| C03 | N02 | C01 | H3 | 60.0° | 120.0° |
| N24 | C23 | N30 | C31 | 179.9° | 179.8° |
| C23 | N24 | C29 | C28 | 148.4° | 176.8° |
| C23 | N24 | C25 | H12 | 32.6° | 63.3° |
| C23 | N24 | C25 | H13 | 86.6° | 56.8° |
| C23 | N24 | C29 | H20 | 28.3° | 56.8° |
| C23 | N24 | C29 | H21 | 91.4° | 63.2° |
| N30 | C23 | N24 | C29 | 29.2° | 60.1° |
| C23 | N30 | C31 | N02 | 179.0° | 179.6° |
| N24 | C29 | C28 | N27 | 53.8° | 58.4° |
| N24 | C29 | C28 | H20 | 120.2° | 120.0° |
| N24 | C29 | C28 | H21 | 120.2° | 120.0° |
| C29 | N24 | C25 | H12 | 170.3° | 60.6° |
| C29 | N24 | C25 | H13 | 70.4° | 179.3° |
| N24 | C29 | C28 | H18 | 173.9° | 178.4° |
| N24 | C29 | C28 | H19 | 66.3° | 61.6° |
| N24 | C29 | H20 | H21 | 119.5° | 120.1° |
| C31 | N02 | C01 | H1 | 0.5° | 179.7° |
| C31 | N02 | C01 | H2 | 119.5° | 60.3° |
| C31 | N02 | C01 | H3 | 120.5° | 59.7° |
| N30 | C31 | N02 | C01 | 0.5° | 0.7° |
| N27 | C28 | C29 | H18 | 120.1° | 120.0° |
| N27 | C28 | C29 | H19 | 120.1° | 119.9° |
| C28 | N27 | C26 | H14 | 169.0° | 179.3° |
| C28 | N27 | C26 | H15 | 71.7° | 60.7° |
| N27 | C28 | H18 | H19 | 119.7° | 120.0° |
| N27 | C28 | C29 | H20 | 174.0° | 178.4° |
| N27 | C28 | C29 | H21 | 66.3° | 61.6° |
| N02 | C01 | H1 | H2 | 120.0° | 119.9° |
| N02 | C01 | H1 | H3 | 120.0° | 120.1° |
| N02 | C01 | H2 | H3 | 120.0° | 120.1° |
| C29 | C28 | N27 | H16 | 67.9° | 64.6° |
| C29 | C28 | H18 | H19 | 119.7° | 120.0° |
| C28 | C29 | H20 | H21 | 119.4° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C05 | H5 | H6 | 119.9° | 120.0° |
| H9 | C15 | C16 | H10 | 1.3° | 0.0° |
| H12 | C25 | C26 | H14 | 74.5° | 58.5° |
| H12 | C25 | C26 | H15 | 44.7° | 178.5° |
| H13 | C25 | C26 | H14 | 44.7° | 61.7° |
| H13 | C25 | C26 | H15 | 163.9° | 58.4° |
| H14 | C26 | N27 | H16 | 48.1° | 55.5° |
| H15 | C26 | N27 | H16 | 167.3° | 175.5° |
| H16 | N27 | C28 | H18 | 52.3° | 55.4° |
| H16 | N27 | C28 | H19 | 172.1° | 175.5° |
| H18 | C28 | C29 | H20 | 65.9° | 61.6° |
| H18 | C28 | C29 | H21 | 53.7° | 58.4° |
| H19 | C28 | C29 | H20 | 53.9° | 58.4° |
| H19 | C28 | C29 | H21 | 173.6° | 178.4° |
