41O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C10 | doub | 1.22Å | 1.23Å | |
| CL9 | C8 | sing | 1.74Å | 1.72Å | |
| C3 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C10 | sing | 1.48Å | 1.40Å | |
| C10 | N19 | sing | 1.35Å | 1.35Å | |
| N19 | C24 | sing | 1.47Å | 1.49Å | |
| N19 | C20 | sing | 1.47Å | 1.49Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C23 | N22 | sing | 1.47Å | 1.49Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | N22 | sing | 1.47Å | 1.49Å | |
| N22 | C25 | sing | 1.39Å | 1.36Å | |
| C25 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C30 | sing | 1.40Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.34Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.34Å | Aromatic |
| C29 | C28 | sing | 1.41Å | 1.35Å | Aromatic |
| C29 | C31 | sing | 1.48Å | 1.40Å | |
| C28 | C33 | sing | 1.49Å | 1.34Å | |
| C31 | C32 | doub | 1.34Å | 1.53Å | |
| C33 | O34 | doub | 1.22Å | 1.23Å | |
| C33 | C32 | sing | 1.48Å | 1.39Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C30 | H5 | sing | 1.08Å | 1.08Å | |
| C31 | H6 | sing | 1.08Å | 1.08Å | |
| C32 | H7 | sing | 1.08Å | 1.08Å | |
| C27 | H8 | sing | 1.08Å | 1.08Å | |
| C26 | H9 | sing | 1.08Å | 1.08Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C10 | C6 | 117.2° | 120.0° |
| O11 | C10 | N19 | 121.5° | 120.0° |
| CL9 | C8 | C3 | 119.0° | 119.9° |
| CL9 | C8 | C7 | 120.3° | 120.0° |
| C8 | C3 | C4 | 120.0° | 120.3° |
| C3 | C8 | C7 | 120.7° | 120.1° |
| C8 | C3 | H2 | 120.0° | 119.9° |
| C3 | C4 | C5 | 119.4° | 120.2° |
| C4 | C3 | H2 | 120.0° | 119.8° |
| C3 | C4 | H3 | 120.3° | 119.9° |
| C8 | C7 | C6 | 119.5° | 119.8° |
| C8 | C7 | H1 | 120.3° | 120.1° |
| C4 | C5 | C6 | 120.9° | 119.9° |
| C5 | C4 | H3 | 120.3° | 119.9° |
| C4 | C5 | H4 | 119.6° | 120.1° |
| C7 | C6 | C5 | 119.6° | 119.7° |
| C7 | C6 | C10 | 121.0° | 120.2° |
| C6 | C7 | H1 | 120.3° | 120.1° |
| C5 | C6 | C10 | 119.4° | 120.1° |
| C6 | C5 | H4 | 119.6° | 120.0° |
| C6 | C10 | N19 | 121.2° | 120.0° |
| C10 | N19 | C24 | 119.6° | 120.8° |
| C10 | N19 | C20 | 122.4° | 120.9° |
| C24 | N19 | C20 | 118.0° | 118.3° |
| N19 | C24 | C23 | 110.1° | 108.5° |
| N19 | C24 | H12 | 109.3° | 109.7° |
| N19 | C24 | H13 | 109.3° | 109.8° |
| N19 | C20 | C21 | 111.9° | 108.5° |
| N19 | C20 | H16 | 108.9° | 109.6° |
| N19 | C20 | H17 | 108.9° | 109.8° |
| C24 | C23 | N22 | 111.6° | 109.3° |
| C24 | C23 | H10 | 109.0° | 109.5° |
| C24 | C23 | H11 | 109.0° | 109.5° |
| C23 | C24 | H12 | 109.3° | 109.6° |
| C23 | C24 | H13 | 109.3° | 109.6° |
| C23 | N22 | C21 | 118.4° | 111.2° |
| C23 | N22 | C25 | 121.2° | 111.0° |
| N22 | C23 | H10 | 108.9° | 109.5° |
| N22 | C23 | H11 | 108.9° | 109.5° |
| C20 | C21 | N22 | 111.6° | 109.4° |
| C20 | C21 | H14 | 108.9° | 109.5° |
| C20 | C21 | H15 | 108.9° | 109.5° |
| C21 | C20 | H16 | 108.9° | 109.6° |
| C21 | C20 | H17 | 108.9° | 109.7° |
| C21 | N22 | C25 | 120.3° | 111.0° |
| N22 | C21 | H14 | 108.9° | 109.5° |
| N22 | C21 | H15 | 108.9° | 109.5° |
| N22 | C25 | C26 | 121.0° | 119.9° |
| N22 | C25 | C30 | 121.8° | 119.9° |
| C26 | C25 | C30 | 117.2° | 120.2° |
| C25 | C26 | C27 | 118.9° | 120.2° |
| C25 | C26 | H9 | 120.6° | 119.9° |
| C25 | C30 | C29 | 121.6° | 119.9° |
| C25 | C30 | H5 | 119.2° | 120.1° |
| C26 | C27 | C28 | 121.6° | 119.9° |
| C26 | C27 | H8 | 119.2° | 120.0° |
| C27 | C26 | H9 | 120.5° | 119.9° |
| C30 | C29 | C28 | 121.0° | 119.5° |
| C30 | C29 | C31 | 129.3° | 132.4° |
| C29 | C30 | H5 | 119.2° | 120.1° |
| C27 | C28 | C29 | 119.7° | 120.3° |
| C27 | C28 | C33 | 130.8° | 133.1° |
| C28 | C27 | H8 | 119.2° | 120.0° |
| C28 | C29 | C31 | 109.7° | 108.1° |
| C29 | C28 | C33 | 109.6° | 106.5° |
| C29 | C31 | C32 | 105.4° | 109.9° |
| C29 | C31 | H6 | 127.3° | 125.1° |
| C28 | C33 | O34 | 124.6° | 126.7° |
| C28 | C33 | C32 | 112.6° | 106.7° |
| C31 | C32 | C33 | 102.7° | 108.8° |
| C32 | C31 | H6 | 127.3° | 125.0° |
| C31 | C32 | H7 | 128.7° | 125.6° |
| O34 | C33 | C32 | 122.8° | 126.6° |
| C33 | C32 | H7 | 128.7° | 125.6° |
| H10 | C23 | H11 | 109.4° | 109.5° |
| H12 | C24 | H13 | 109.5° | 109.6° |
| H14 | C21 | H15 | 109.4° | 109.5° |
| H16 | C20 | H17 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C10 | C6 | C7 | 71.2° | 39.2° |
| O11 | C10 | C6 | C5 | 106.3° | 140.8° |
| O11 | C10 | C6 | N19 | 178.0° | 180.0° |
| O11 | C10 | N19 | C24 | 0.3° | 5.8° |
| O11 | C10 | N19 | C20 | 178.5° | 174.2° |
| CL9 | C8 | C3 | C7 | 179.7° | 180.0° |
| CL9 | C8 | C3 | C4 | 179.8° | 180.0° |
| CL9 | C8 | C7 | C6 | 179.5° | 180.0° |
| CL9 | C8 | C7 | H1 | 0.5° | 0.2° |
| CL9 | C8 | C3 | H2 | 0.2° | 0.0° |
| C8 | C3 | C4 | H2 | 180.0° | 180.0° |
| C8 | C3 | C4 | C5 | 0.1° | 0.3° |
| C3 | C8 | C7 | C6 | 0.8° | 0.1° |
| C3 | C8 | C7 | H1 | 179.2° | 179.7° |
| C8 | C3 | C4 | H3 | 179.9° | 179.9° |
| C4 | C3 | C8 | C7 | 0.1° | 0.0° |
| C3 | C4 | C5 | H3 | 180.0° | 179.6° |
| C3 | C4 | C5 | C6 | 0.5° | 0.6° |
| C3 | C4 | C5 | H4 | 179.5° | 180.0° |
| C8 | C7 | C6 | H1 | 180.0° | 179.8° |
| C8 | C7 | C6 | C5 | 1.4° | 0.2° |
| C8 | C7 | C6 | C10 | 178.9° | 179.8° |
| C7 | C8 | C3 | H2 | 179.9° | 180.0° |
| C4 | C5 | C6 | C7 | 1.3° | 0.5° |
| C4 | C5 | C6 | H4 | 180.0° | 179.4° |
| C4 | C5 | C6 | C10 | 178.8° | 179.5° |
| C5 | C4 | C3 | H2 | 179.9° | 179.7° |
| C7 | C6 | C5 | C10 | 177.5° | 180.0° |
| C7 | C6 | C10 | N19 | 110.8° | 140.8° |
| C7 | C6 | C5 | H4 | 178.7° | 179.9° |
| C5 | C6 | C10 | N19 | 71.7° | 39.2° |
| C5 | C6 | C7 | H1 | 178.6° | 180.0° |
| C6 | C5 | C4 | H3 | 179.5° | 179.8° |
| C6 | C10 | N19 | C24 | 178.3° | 174.2° |
| C6 | C10 | N19 | C20 | 3.5° | 5.8° |
| C10 | C6 | C7 | H1 | 1.1° | 0.0° |
| C10 | C6 | C5 | H4 | 1.2° | 0.1° |
| C10 | N19 | C24 | C20 | 178.2° | 180.0° |
| C10 | N19 | C24 | C23 | 130.4° | 128.8° |
| C10 | N19 | C20 | C21 | 131.6° | 128.8° |
| C10 | N19 | C24 | H12 | 10.3° | 9.2° |
| C10 | N19 | C24 | H13 | 109.6° | 111.4° |
| C10 | N19 | C20 | H16 | 108.1° | 111.5° |
| C10 | N19 | C20 | H17 | 11.2° | 9.0° |
| N19 | C24 | C23 | H12 | 120.1° | 119.7° |
| N19 | C24 | C23 | H13 | 120.1° | 119.9° |
| N19 | C24 | C23 | N22 | 47.3° | 53.8° |
| C24 | N19 | C20 | C21 | 50.2° | 51.1° |
| N19 | C24 | C23 | H10 | 73.0° | 66.1° |
| N19 | C24 | C23 | H11 | 167.7° | 173.8° |
| N19 | C24 | H12 | H13 | 119.7° | 120.6° |
| C24 | N19 | C20 | H16 | 70.1° | 68.5° |
| C24 | N19 | C20 | H17 | 170.6° | 171.0° |
| C20 | N19 | C24 | C23 | 51.4° | 51.2° |
| N19 | C20 | C21 | H16 | 120.3° | 119.7° |
| N19 | C20 | C21 | H17 | 120.4° | 119.9° |
| N19 | C20 | C21 | N22 | 44.3° | 53.8° |
| C20 | N19 | C24 | H12 | 171.5° | 170.8° |
| C20 | N19 | C24 | H13 | 68.7° | 68.6° |
| N19 | C20 | C21 | H14 | 164.6° | 173.8° |
| N19 | C20 | C21 | H15 | 76.1° | 66.2° |
| N19 | C20 | H16 | H17 | 118.9° | 120.6° |
| C24 | C23 | N22 | H10 | 120.3° | 119.9° |
| C24 | C23 | N22 | H11 | 120.3° | 120.0° |
| C24 | C23 | N22 | C21 | 48.8° | 63.1° |
| C24 | C23 | N22 | C25 | 132.9° | 172.8° |
| C24 | C23 | H10 | H11 | 119.1° | 120.1° |
| C23 | C24 | H12 | H13 | 119.7° | 120.3° |
| C23 | N22 | C21 | C20 | 46.9° | 63.1° |
| C23 | N22 | C21 | C25 | 178.3° | 124.1° |
| C23 | N22 | C25 | C26 | 11.0° | 0.1° |
| C23 | N22 | C25 | C30 | 168.1° | 179.6° |
| N22 | C23 | H10 | H11 | 119.0° | 120.1° |
| N22 | C23 | C24 | H12 | 167.4° | 173.6° |
| N22 | C23 | C24 | H13 | 72.8° | 66.1° |
| C23 | N22 | C21 | H14 | 167.2° | 176.9° |
| C23 | N22 | C21 | H15 | 73.5° | 56.9° |
| C20 | C21 | N22 | H14 | 120.3° | 120.0° |
| C20 | C21 | N22 | H15 | 120.3° | 120.0° |
| C20 | C21 | N22 | C25 | 134.8° | 172.8° |
| C20 | C21 | H14 | H15 | 119.0° | 120.1° |
| C21 | C20 | H16 | H17 | 118.9° | 120.4° |
| C21 | N22 | C25 | C26 | 170.7° | 124.3° |
| C21 | N22 | C25 | C30 | 10.1° | 55.4° |
| C21 | N22 | C23 | H10 | 71.5° | 56.8° |
| C21 | N22 | C23 | H11 | 169.1° | 176.9° |
| N22 | C21 | H14 | H15 | 119.0° | 120.0° |
| N22 | C21 | C20 | H16 | 76.1° | 65.9° |
| N22 | C21 | C20 | H17 | 164.7° | 173.8° |
| N22 | C25 | C26 | C30 | 179.2° | 179.7° |
| N22 | C25 | C26 | C27 | 179.7° | 180.0° |
| N22 | C25 | C30 | C29 | 179.8° | 179.9° |
| N22 | C25 | C30 | H5 | 0.2° | 0.2° |
| N22 | C25 | C26 | H9 | 0.3° | 0.1° |
| C25 | N22 | C23 | H10 | 106.8° | 67.3° |
| C25 | N22 | C23 | H11 | 12.5° | 52.8° |
| C25 | N22 | C21 | H14 | 14.5° | 52.8° |
| C25 | N22 | C21 | H15 | 104.9° | 67.2° |
| C25 | C26 | C27 | H9 | 180.0° | 179.9° |
| C26 | C25 | C30 | C29 | 0.6° | 0.4° |
| C25 | C26 | C27 | C28 | 0.1° | 0.1° |
| C26 | C25 | C30 | H5 | 179.4° | 179.9° |
| C25 | C26 | C27 | H8 | 179.9° | 179.9° |
| C30 | C25 | C26 | C27 | 0.5° | 0.3° |
| C25 | C30 | C29 | H5 | 180.0° | 179.7° |
| C25 | C30 | C29 | C28 | 0.4° | 0.3° |
| C25 | C30 | C29 | C31 | 179.7° | 179.8° |
| C30 | C25 | C26 | H9 | 179.5° | 179.8° |
| C26 | C27 | C28 | H8 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.2° | 0.0° |
| C26 | C27 | C28 | C33 | 179.9° | 180.0° |
| C30 | C29 | C28 | C27 | 0.0° | 0.0° |
| C30 | C29 | C28 | C31 | 179.9° | 179.9° |
| C30 | C29 | C28 | C33 | 179.8° | 179.9° |
| C30 | C29 | C31 | C32 | 178.7° | 179.9° |
| C30 | C29 | C31 | H6 | 1.3° | 0.1° |
| C27 | C28 | C29 | C33 | 179.8° | 180.0° |
| C27 | C28 | C29 | C31 | 179.9° | 180.0° |
| C27 | C28 | C33 | O34 | 1.9° | 0.1° |
| C27 | C28 | C33 | C32 | 178.5° | 179.9° |
| C28 | C27 | C26 | H9 | 179.9° | 180.0° |
| C28 | C29 | C31 | C32 | 1.4° | 0.0° |
| C29 | C28 | C33 | O34 | 177.8° | 180.0° |
| C29 | C28 | C33 | C32 | 1.8° | 0.0° |
| C28 | C29 | C30 | H5 | 179.6° | 180.0° |
| C28 | C29 | C31 | H6 | 178.6° | 180.0° |
| C29 | C28 | C27 | H8 | 179.8° | 180.0° |
| C31 | C29 | C28 | C33 | 0.1° | 0.0° |
| C29 | C31 | C32 | H6 | 180.0° | 180.0° |
| C29 | C31 | C32 | C33 | 2.3° | 0.0° |
| C31 | C29 | C30 | H5 | 0.3° | 0.1° |
| C29 | C31 | C32 | H7 | 177.7° | 179.9° |
| C28 | C33 | C32 | C31 | 2.5° | 0.0° |
| C28 | C33 | O34 | C32 | 179.6° | 180.0° |
| C28 | C33 | C32 | H7 | 177.5° | 179.9° |
| C33 | C28 | C27 | H8 | 0.1° | 0.0° |
| C31 | C32 | C33 | O34 | 177.1° | 180.0° |
| C31 | C32 | C33 | H7 | 180.0° | 179.9° |
| O34 | C33 | C32 | H7 | 2.9° | 0.1° |
| C33 | C32 | C31 | H6 | 177.7° | 180.0° |
| H2 | C3 | C4 | H3 | 0.1° | 0.1° |
| H3 | C4 | C5 | H4 | 0.5° | 0.4° |
| H6 | C31 | C32 | H7 | 2.3° | 0.1° |
| H8 | C27 | C26 | H9 | 0.1° | 0.0° |
| H10 | C23 | C24 | H12 | 47.1° | 53.6° |
| H10 | C23 | C24 | H13 | 166.9° | 173.9° |
| H11 | C23 | C24 | H12 | 72.3° | 66.5° |
| H11 | C23 | C24 | H13 | 47.6° | 53.9° |
| H14 | C21 | C20 | H16 | 44.3° | 54.1° |
| H14 | C21 | C20 | H17 | 75.0° | 66.3° |
| H15 | C21 | C20 | H16 | 163.6° | 174.1° |
| H15 | C21 | C20 | H17 | 44.3° | 53.7° |
