O67
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C26 | sing | 1.51Å | 1.52Å | |
| N28 | C26 | doub | 1.30Å | 1.32Å | Aromatic |
| N28 | O29 | sing | 1.21Å | 1.36Å | Aromatic |
| C26 | C25 | sing | 1.41Å | 1.39Å | Aromatic |
| O29 | C24 | sing | 1.35Å | 1.34Å | Aromatic |
| C25 | C24 | doub | 1.37Å | 1.38Å | Aromatic |
| C24 | C22 | sing | 1.47Å | 1.52Å | |
| C22 | N21 | sing | 1.35Å | 1.45Å | |
| C22 | O23 | doub | 1.22Å | 1.19Å | |
| N21 | C20 | sing | 1.40Å | 1.45Å | |
| O11 | C10 | doub | 1.21Å | 1.19Å | |
| C20 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.54Å | 1.49Å | |
| C07 | N09 | sing | 1.47Å | 1.45Å | |
| C07 | C06 | sing | 1.53Å | 1.48Å | |
| O13 | C14 | sing | 1.36Å | 1.41Å | |
| O13 | C12 | sing | 1.43Å | 1.40Å | |
| C10 | N09 | sing | 1.35Å | 1.45Å | |
| C10 | C12 | sing | 1.51Å | 1.53Å | |
| C08 | N05 | sing | 1.47Å | 1.49Å | |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | BR18 | sing | 1.89Å | 1.94Å | |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | N05 | sing | 1.47Å | 1.49Å | |
| N05 | C03 | sing | 1.35Å | 1.45Å | |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C03 | C02 | sing | 1.51Å | 1.53Å | |
| C03 | O04 | doub | 1.21Å | 1.19Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| N09 | H11 | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| N21 | H17 | sing | 0.97Å | 1.00Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C26 | N28 | 126.0° | 126.7° |
| C27 | C26 | C25 | 126.0° | 126.7° |
| C26 | C27 | H19 | 109.5° | 109.4° |
| C26 | C27 | H20 | 109.4° | 109.4° |
| C26 | C27 | H21 | 109.5° | 109.4° |
| C26 | N28 | O29 | 109.2° | 112.0° |
| N28 | C26 | C25 | 108.0° | 106.6° |
| N28 | O29 | C24 | 108.7° | 111.5° |
| C26 | C25 | C24 | 106.9° | 103.8° |
| C26 | C25 | H18 | 126.6° | 128.1° |
| O29 | C24 | C25 | 107.2° | 106.1° |
| O29 | C24 | C22 | 126.1° | 127.0° |
| C25 | C24 | C22 | 126.7° | 126.9° |
| C24 | C25 | H18 | 126.6° | 128.1° |
| C24 | C22 | N21 | 118.6° | 119.9° |
| C24 | C22 | O23 | 120.1° | 120.1° |
| N21 | C22 | O23 | 121.3° | 120.0° |
| C22 | N21 | C20 | 122.3° | 120.0° |
| C22 | N21 | H17 | 118.8° | 120.0° |
| N21 | C20 | C19 | 119.5° | 120.1° |
| N21 | C20 | C14 | 120.5° | 120.1° |
| C20 | N21 | H17 | 118.8° | 120.0° |
| O11 | C10 | N09 | 120.2° | 120.0° |
| O11 | C10 | C12 | 120.7° | 120.0° |
| C19 | C20 | C14 | 120.0° | 119.8° |
| C20 | C19 | C17 | 120.0° | 120.0° |
| C20 | C19 | H16 | 120.0° | 120.1° |
| C20 | C14 | O13 | 118.7° | 120.1° |
| C20 | C14 | C15 | 119.7° | 119.9° |
| C19 | C17 | BR18 | 118.9° | 119.9° |
| C19 | C17 | C16 | 120.5° | 120.2° |
| C17 | C19 | H16 | 120.0° | 120.0° |
| C08 | C07 | N09 | 112.6° | 114.2° |
| C08 | C07 | C06 | 89.8° | 83.2° |
| C07 | C08 | N05 | 89.3° | 87.9° |
| C08 | C07 | H8 | 113.4° | 114.2° |
| C07 | C08 | H9 | 114.2° | 113.5° |
| C07 | C08 | H10 | 114.3° | 113.4° |
| N09 | C07 | C06 | 111.5° | 114.4° |
| C07 | N09 | C10 | 120.5° | 120.0° |
| N09 | C07 | H8 | 113.9° | 113.3° |
| C07 | N09 | H11 | 119.8° | 120.0° |
| C07 | C06 | N05 | 89.4° | 88.0° |
| C07 | C06 | H6 | 114.2° | 113.5° |
| C07 | C06 | H7 | 114.2° | 113.5° |
| C06 | C07 | H8 | 113.4° | 114.3° |
| C14 | O13 | C12 | 116.8° | 117.0° |
| O13 | C14 | C15 | 121.6° | 120.1° |
| O13 | C12 | C10 | 109.1° | 109.5° |
| O13 | C12 | H12 | 109.6° | 109.5° |
| O13 | C12 | H13 | 109.5° | 109.5° |
| N09 | C10 | C12 | 119.1° | 120.0° |
| C10 | N09 | H11 | 119.7° | 120.0° |
| C10 | C12 | H12 | 109.6° | 109.4° |
| C10 | C12 | H13 | 109.6° | 109.5° |
| C08 | N05 | C06 | 89.2° | 87.9° |
| C08 | N05 | C03 | 135.9° | 136.1° |
| N05 | C08 | H9 | 114.3° | 113.5° |
| N05 | C08 | H10 | 114.3° | 113.5° |
| C14 | C15 | C16 | 120.3° | 120.0° |
| C14 | C15 | H14 | 119.9° | 120.0° |
| BR18 | C17 | C16 | 120.6° | 119.9° |
| C17 | C16 | C15 | 119.5° | 120.2° |
| C17 | C16 | H15 | 120.2° | 119.9° |
| C06 | N05 | C03 | 134.9° | 136.0° |
| N05 | C06 | H6 | 114.2° | 113.5° |
| N05 | C06 | H7 | 114.2° | 113.4° |
| N05 | C03 | C02 | 120.4° | 120.0° |
| N05 | C03 | O04 | 119.0° | 120.0° |
| C16 | C15 | H14 | 119.9° | 120.0° |
| C15 | C16 | H15 | 120.3° | 119.9° |
| C01 | C02 | C03 | 113.0° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.4° | 109.5° |
| C02 | C01 | H3 | 109.4° | 109.5° |
| C01 | C02 | H4 | 108.6° | 109.5° |
| C01 | C02 | H5 | 108.6° | 109.5° |
| C02 | C03 | O04 | 120.5° | 120.0° |
| C03 | C02 | H4 | 108.6° | 109.5° |
| C03 | C02 | H5 | 108.6° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C02 | H5 | 109.5° | 109.4° |
| H6 | C06 | H7 | 109.5° | 112.7° |
| H9 | C08 | H10 | 109.5° | 112.8° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H19 | C27 | H20 | 109.5° | 109.5° |
| H19 | C27 | H21 | 109.5° | 109.5° |
| H20 | C27 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C26 | N28 | C25 | 180.0° | 180.0° |
| C27 | C26 | N28 | O29 | 180.0° | 179.7° |
| C27 | C26 | C25 | C24 | 180.0° | 180.0° |
| C27 | C26 | C25 | H18 | 0.0° | 0.0° |
| C26 | C27 | H19 | H20 | 120.0° | 120.0° |
| C26 | C27 | H19 | H21 | 120.0° | 119.9° |
| C26 | C27 | H20 | H21 | 120.0° | 120.0° |
| C26 | N28 | O29 | C24 | 0.0° | 0.5° |
| N28 | C26 | C25 | C24 | 0.0° | 0.0° |
| N28 | C26 | C25 | H18 | 180.0° | 179.9° |
| N28 | C26 | C27 | H19 | 0.0° | 90.0° |
| N28 | C26 | C27 | H20 | 120.0° | 30.0° |
| N28 | C26 | C27 | H21 | 120.0° | 150.0° |
| O29 | N28 | C26 | C25 | 0.0° | 0.3° |
| N28 | O29 | C24 | C25 | 0.0° | 0.5° |
| N28 | O29 | C24 | C22 | 179.5° | 179.8° |
| C26 | C25 | C24 | O29 | 0.0° | 0.3° |
| C26 | C25 | C24 | H18 | 180.0° | 179.9° |
| C26 | C25 | C24 | C22 | 179.5° | 180.0° |
| C25 | C26 | C27 | H19 | 179.9° | 90.0° |
| C25 | C26 | C27 | H20 | 60.0° | 150.0° |
| C25 | C26 | C27 | H21 | 59.9° | 30.0° |
| O29 | C24 | C25 | C22 | 179.5° | 179.7° |
| O29 | C24 | C22 | N21 | 7.0° | 0.4° |
| O29 | C24 | C22 | O23 | 173.6° | 179.7° |
| O29 | C24 | C25 | H18 | 180.0° | 179.8° |
| C25 | C24 | C22 | N21 | 172.3° | 180.0° |
| C25 | C24 | C22 | O23 | 7.0° | 0.0° |
| C24 | C22 | N21 | O23 | 179.3° | 179.9° |
| C24 | C22 | N21 | C20 | 179.4° | 174.5° |
| C24 | C22 | N21 | H17 | 0.6° | 5.5° |
| C22 | C24 | C25 | H18 | 0.5° | 0.1° |
| C22 | N21 | C20 | H17 | 180.0° | 180.0° |
| C22 | N21 | C20 | C19 | 57.0° | 24.9° |
| C22 | N21 | C20 | C14 | 123.9° | 155.7° |
| O23 | C22 | N21 | C20 | 0.1° | 5.5° |
| O23 | C22 | N21 | H17 | 179.9° | 174.5° |
| N21 | C20 | C19 | C14 | 179.1° | 179.4° |
| N21 | C20 | C19 | C17 | 179.7° | 180.0° |
| N21 | C20 | C14 | O13 | 0.7° | 0.3° |
| N21 | C20 | C14 | C15 | 179.7° | 180.0° |
| N21 | C20 | C19 | H16 | 0.3° | 0.2° |
| O11 | C10 | N09 | C07 | 0.1° | 0.1° |
| O11 | C10 | C12 | O13 | 9.5° | 0.0° |
| O11 | C10 | N09 | C12 | 180.0° | 179.9° |
| O11 | C10 | N09 | H11 | 179.9° | 180.0° |
| O11 | C10 | C12 | H12 | 110.5° | 120.0° |
| O11 | C10 | C12 | H13 | 129.4° | 120.0° |
| C20 | C19 | C17 | H16 | 180.0° | 179.7° |
| C19 | C20 | C14 | O13 | 179.8° | 179.7° |
| C19 | C20 | C14 | C15 | 0.6° | 0.6° |
| C20 | C19 | C17 | BR18 | 179.6° | 179.7° |
| C20 | C19 | C17 | C16 | 0.3° | 0.3° |
| C19 | C20 | N21 | H17 | 123.0° | 155.1° |
| C14 | C20 | C19 | C17 | 0.6° | 0.6° |
| C20 | C14 | O13 | C15 | 179.6° | 179.7° |
| C20 | C14 | O13 | C12 | 167.7° | 179.7° |
| C20 | C14 | C15 | C16 | 0.3° | 0.3° |
| C20 | C14 | C15 | H14 | 179.7° | 179.7° |
| C14 | C20 | C19 | H16 | 179.4° | 179.7° |
| C14 | C20 | N21 | H17 | 56.1° | 24.3° |
| C19 | C17 | BR18 | C16 | 179.9° | 180.0° |
| C19 | C17 | C16 | C15 | 0.0° | 0.0° |
| C19 | C17 | C16 | H15 | 180.0° | 179.9° |
| C08 | C07 | N09 | C06 | 99.2° | 93.6° |
| C08 | C07 | N09 | H8 | 130.9° | 133.1° |
| C08 | C07 | C06 | H8 | 115.5° | 113.5° |
| C08 | C07 | N09 | C10 | 153.3° | 155.0° |
| C07 | C08 | N05 | H9 | 116.4° | 114.8° |
| C07 | C08 | N05 | H10 | 116.4° | 114.7° |
| C08 | C07 | C06 | N05 | 11.6° | 26.2° |
| C07 | C08 | N05 | C03 | 168.5° | 152.9° |
| C08 | C07 | C06 | H6 | 104.8° | 141.0° |
| C08 | C07 | C06 | H7 | 128.1° | 88.5° |
| C07 | C08 | H9 | H10 | 129.6° | 130.7° |
| C08 | C07 | N09 | H11 | 26.7° | 25.0° |
| N09 | C07 | C06 | H8 | 130.1° | 132.9° |
| C07 | N09 | C10 | H11 | 180.0° | 179.9° |
| C07 | N09 | C10 | C12 | 179.9° | 180.0° |
| N09 | C07 | C08 | N05 | 101.7° | 87.5° |
| N09 | C07 | C06 | N05 | 102.7° | 87.4° |
| N09 | C07 | C06 | H6 | 140.9° | 27.5° |
| N09 | C07 | C06 | H7 | 13.7° | 157.9° |
| N09 | C07 | C08 | H9 | 14.7° | 157.7° |
| N09 | C07 | C08 | H10 | 141.9° | 27.3° |
| C06 | C07 | N09 | C10 | 107.5° | 111.5° |
| C07 | C06 | N05 | H6 | 116.4° | 114.8° |
| C07 | C06 | N05 | H7 | 116.5° | 114.8° |
| C07 | C06 | N05 | C03 | 168.5° | 152.9° |
| C07 | C06 | H6 | H7 | 129.6° | 130.8° |
| C06 | C07 | C08 | H9 | 128.0° | 88.6° |
| C06 | C07 | C08 | H10 | 104.8° | 141.0° |
| C06 | C07 | N09 | H11 | 72.5° | 68.6° |
| C14 | O13 | C12 | C10 | 88.5° | 179.9° |
| O13 | C14 | C15 | C16 | 179.9° | 180.0° |
| C14 | O13 | C12 | H12 | 31.4° | 60.0° |
| C14 | O13 | C12 | H13 | 151.5° | 60.0° |
| O13 | C14 | C15 | H14 | 0.1° | 0.0° |
| O13 | C12 | C10 | N09 | 170.5° | 180.0° |
| O13 | C12 | C10 | H12 | 119.9° | 120.0° |
| O13 | C12 | C10 | H13 | 119.9° | 120.0° |
| C12 | O13 | C14 | C15 | 12.7° | 0.0° |
| O13 | C12 | H12 | H13 | 120.2° | 120.0° |
| C10 | N09 | C07 | H8 | 22.3° | 21.9° |
| N09 | C10 | C12 | H12 | 69.5° | 60.1° |
| N09 | C10 | C12 | H13 | 50.6° | 59.9° |
| C12 | C10 | N09 | H11 | 0.2° | 0.1° |
| C10 | C12 | H12 | H13 | 120.2° | 120.0° |
| C08 | N05 | C06 | C03 | 180.0° | 179.8° |
| C08 | N05 | C03 | C02 | 0.1° | 0.3° |
| C08 | N05 | C03 | O04 | 180.0° | 179.7° |
| C08 | N05 | C06 | H6 | 104.9° | 142.2° |
| C08 | N05 | C06 | H7 | 128.0° | 87.5° |
| N05 | C08 | C07 | H8 | 127.1° | 139.8° |
| N05 | C08 | H9 | H10 | 129.6° | 130.9° |
| C14 | C15 | C16 | C17 | 0.0° | 0.0° |
| C14 | C15 | C16 | H14 | 180.0° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| BR18 | C17 | C16 | C15 | 179.9° | 180.0° |
| BR18 | C17 | C16 | H15 | 0.1° | 0.0° |
| BR18 | C17 | C19 | H16 | 0.4° | 0.0° |
| C17 | C16 | C15 | H15 | 180.0° | 180.0° |
| C17 | C16 | C15 | H14 | 180.0° | 180.0° |
| C16 | C17 | C19 | H16 | 179.7° | 180.0° |
| C06 | N05 | C03 | C02 | 180.0° | 180.0° |
| C06 | N05 | C03 | O04 | 0.1° | 0.0° |
| N05 | C06 | H6 | H7 | 129.5° | 130.7° |
| N05 | C06 | C07 | H8 | 127.1° | 139.7° |
| C06 | N05 | C08 | H9 | 127.9° | 87.5° |
| C06 | N05 | C08 | H10 | 104.9° | 142.0° |
| N05 | C03 | C02 | C01 | 114.8° | 180.0° |
| N05 | C03 | C02 | O04 | 179.9° | 180.0° |
| N05 | C03 | C02 | H4 | 5.7° | 60.0° |
| N05 | C03 | C02 | H5 | 124.6° | 60.0° |
| C03 | N05 | C06 | H6 | 75.1° | 38.0° |
| C03 | N05 | C06 | H7 | 52.0° | 92.3° |
| C03 | N05 | C08 | H9 | 52.1° | 92.3° |
| C03 | N05 | C08 | H10 | 75.1° | 38.2° |
| C01 | C02 | C03 | H4 | 120.5° | 120.0° |
| C01 | C02 | C03 | H5 | 120.5° | 120.0° |
| C01 | C02 | C03 | O04 | 65.2° | 0.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 118.4° | 119.9° |
| C03 | C02 | C01 | H1 | 180.0° | 180.0° |
| C03 | C02 | C01 | H2 | 60.0° | 60.0° |
| C03 | C02 | C01 | H3 | 60.0° | 60.0° |
| C03 | C02 | H4 | H5 | 118.4° | 120.0° |
| O04 | C03 | C02 | H4 | 174.2° | 120.0° |
| O04 | C03 | C02 | H5 | 55.3° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 59.5° | 59.9° |
| H1 | C01 | C02 | H5 | 59.5° | 60.0° |
| H2 | C01 | C02 | H4 | 60.5° | 60.1° |
| H2 | C01 | C02 | H5 | 179.5° | 180.0° |
| H3 | C01 | C02 | H4 | 179.5° | 180.0° |
| H3 | C01 | C02 | H5 | 60.5° | 60.0° |
| H6 | C06 | C07 | H8 | 10.7° | 105.4° |
| H7 | C06 | C07 | H8 | 116.4° | 25.0° |
| H8 | C07 | C08 | H9 | 116.5° | 25.0° |
| H8 | C07 | C08 | H10 | 10.7° | 105.4° |
| H8 | C07 | N09 | H11 | 157.6° | 158.1° |
| H14 | C15 | C16 | H15 | 0.0° | 0.0° |
| H19 | C27 | H20 | H21 | 120.0° | 120.1° |
