H69
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | C21 | doub | 1.22Å | 1.21Å | |
| C21 | C23 | sing | 1.47Å | 1.44Å | |
| C21 | N20 | sing | 1.35Å | 1.39Å | |
| C23 | C1 | doub | 1.36Å | 1.35Å | |
| N20 | C18 | sing | 1.34Å | 1.37Å | |
| CL14 | C13 | sing | 1.74Å | 1.75Å | |
| C1 | N17 | sing | 1.38Å | 1.37Å | |
| C1 | C2 | sing | 1.48Å | 1.50Å | |
| C18 | N17 | sing | 1.34Å | 1.37Å | |
| C18 | O19 | doub | 1.22Å | 1.22Å | |
| O3 | C2 | doub | 1.21Å | 1.23Å | |
| C2 | N4 | sing | 1.35Å | 1.34Å | |
| C13 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | C24 | sing | 1.53Å | 1.53Å | |
| N4 | C5 | sing | 1.47Å | 1.47Å | |
| N4 | C8 | sing | 1.47Å | 1.47Å | |
| CL16 | C12 | sing | 1.74Å | 1.75Å | |
| C7 | C24 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C24 | sing | 1.51Å | 1.51Å | |
| C9 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C23 | H4 | sing | 1.08Å | 1.08Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| N17 | H14 | sing | 0.97Å | 1.00Å | |
| N20 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O22 | C21 | C23 | 125.2° | 120.5° |
| O22 | C21 | N20 | 119.2° | 120.6° |
| C23 | C21 | N20 | 115.6° | 118.9° |
| C21 | C23 | C1 | 118.6° | 118.4° |
| C21 | C23 | H4 | 120.7° | 120.8° |
| C21 | N20 | C18 | 126.9° | 120.4° |
| C21 | N20 | H15 | 116.6° | 119.8° |
| C23 | C1 | N17 | 121.3° | 119.4° |
| C23 | C1 | C2 | 124.8° | 120.3° |
| C1 | C23 | H4 | 120.7° | 120.9° |
| N20 | C18 | N17 | 113.4° | 121.8° |
| N20 | C18 | O19 | 122.9° | 119.1° |
| C18 | N20 | H15 | 116.5° | 119.8° |
| CL14 | C13 | C15 | 119.5° | 120.0° |
| CL14 | C13 | C12 | 120.0° | 120.0° |
| N17 | C1 | C2 | 114.0° | 120.3° |
| C1 | N17 | C18 | 124.1° | 121.2° |
| C1 | N17 | H14 | 117.9° | 119.4° |
| C1 | C2 | O3 | 114.7° | 120.0° |
| C1 | C2 | N4 | 120.5° | 120.0° |
| N17 | C18 | O19 | 123.7° | 119.1° |
| C18 | N17 | H14 | 118.0° | 119.4° |
| O3 | C2 | N4 | 124.7° | 120.0° |
| C2 | N4 | C5 | 126.7° | 120.6° |
| C2 | N4 | C8 | 120.1° | 120.6° |
| C15 | C13 | C12 | 120.5° | 120.0° |
| C13 | C15 | C9 | 120.0° | 120.1° |
| C13 | C15 | H3 | 120.0° | 120.0° |
| C13 | C12 | CL16 | 121.3° | 120.0° |
| C13 | C12 | C11 | 119.8° | 120.0° |
| C15 | C9 | C24 | 121.3° | 120.0° |
| C15 | C9 | C10 | 118.6° | 120.0° |
| C9 | C15 | H3 | 120.0° | 120.0° |
| C5 | C6 | C24 | 108.6° | 109.3° |
| C6 | C5 | N4 | 109.3° | 108.7° |
| C6 | C5 | H6 | 109.5° | 109.6° |
| C6 | C5 | H7 | 109.5° | 109.6° |
| C5 | C6 | H8 | 109.7° | 109.5° |
| C5 | C6 | H9 | 109.7° | 109.5° |
| C6 | C24 | C7 | 109.5° | 109.5° |
| C6 | C24 | C9 | 114.4° | 109.5° |
| C6 | C24 | H5 | 105.7° | 109.5° |
| C24 | C6 | H8 | 109.7° | 109.4° |
| C24 | C6 | H9 | 109.7° | 109.5° |
| C5 | N4 | C8 | 113.2° | 118.8° |
| N4 | C5 | H6 | 109.5° | 109.6° |
| N4 | C5 | H7 | 109.5° | 109.7° |
| N4 | C8 | C7 | 111.1° | 108.8° |
| N4 | C8 | H12 | 109.1° | 109.6° |
| N4 | C8 | H13 | 109.1° | 109.7° |
| CL16 | C12 | C11 | 118.9° | 120.0° |
| C24 | C7 | C8 | 109.9° | 109.3° |
| C7 | C24 | C9 | 114.7° | 109.5° |
| C7 | C24 | H5 | 105.7° | 109.4° |
| C24 | C7 | H10 | 109.4° | 109.4° |
| C24 | C7 | H11 | 109.4° | 109.5° |
| C8 | C7 | H10 | 109.3° | 109.5° |
| C8 | C7 | H11 | 109.4° | 109.5° |
| C7 | C8 | H12 | 109.1° | 109.6° |
| C7 | C8 | H13 | 109.0° | 109.6° |
| C12 | C11 | C10 | 119.6° | 120.0° |
| C12 | C11 | H2 | 120.2° | 120.0° |
| C24 | C9 | C10 | 120.1° | 120.0° |
| C9 | C24 | H5 | 105.9° | 109.5° |
| C9 | C10 | C11 | 121.5° | 120.0° |
| C9 | C10 | H1 | 119.2° | 120.0° |
| C11 | C10 | H1 | 119.3° | 120.0° |
| C10 | C11 | H2 | 120.2° | 120.0° |
| H6 | C5 | H7 | 109.5° | 109.6° |
| H8 | C6 | H9 | 109.4° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.6° |
| H12 | C8 | H13 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | C21 | C23 | N20 | 179.4° | 179.5° |
| O22 | C21 | C23 | C1 | 179.4° | 180.0° |
| O22 | C21 | N20 | C18 | 179.3° | 179.7° |
| O22 | C21 | C23 | H4 | 0.6° | 0.0° |
| O22 | C21 | N20 | H15 | 0.7° | 0.5° |
| C21 | C23 | C1 | H4 | 180.0° | 180.0° |
| C23 | C21 | N20 | C18 | 0.1° | 0.8° |
| C21 | C23 | C1 | N17 | 0.1° | 0.0° |
| C21 | C23 | C1 | C2 | 179.8° | 179.7° |
| C23 | C21 | N20 | H15 | 179.9° | 180.0° |
| N20 | C21 | C23 | C1 | 0.0° | 0.5° |
| C21 | N20 | C18 | H15 | 180.0° | 179.2° |
| C21 | N20 | C18 | N17 | 0.3° | 0.6° |
| C21 | N20 | C18 | O19 | 180.0° | 179.4° |
| N20 | C21 | C23 | H4 | 179.9° | 179.5° |
| C23 | C1 | N17 | C2 | 179.7° | 179.7° |
| C23 | C1 | N17 | C18 | 0.4° | 0.3° |
| C23 | C1 | C2 | O3 | 80.6° | 95.0° |
| C23 | C1 | C2 | N4 | 99.0° | 85.0° |
| C23 | C1 | N17 | H14 | 179.6° | 179.7° |
| N20 | C18 | N17 | C1 | 0.4° | 0.0° |
| N20 | C18 | N17 | O19 | 179.6° | 180.0° |
| N20 | C18 | N17 | H14 | 179.6° | 180.0° |
| CL14 | C13 | C15 | C12 | 179.7° | 179.7° |
| CL14 | C13 | C15 | C9 | 179.8° | 180.0° |
| CL14 | C13 | C12 | CL16 | 0.1° | 0.3° |
| CL14 | C13 | C12 | C11 | 179.5° | 179.7° |
| CL14 | C13 | C15 | H3 | 0.2° | 0.3° |
| C1 | N17 | C18 | H14 | 180.0° | 180.0° |
| C1 | N17 | C18 | O19 | 179.9° | 180.0° |
| N17 | C1 | C2 | O3 | 99.1° | 84.7° |
| N17 | C1 | C2 | N4 | 81.3° | 95.3° |
| N17 | C1 | C23 | H4 | 179.9° | 180.0° |
| C2 | C1 | N17 | C18 | 179.9° | 179.9° |
| C1 | C2 | O3 | N4 | 179.6° | 180.0° |
| C1 | C2 | N4 | C5 | 0.2° | 174.9° |
| C1 | C2 | N4 | C8 | 179.9° | 5.1° |
| C2 | C1 | C23 | H4 | 0.2° | 0.3° |
| C2 | C1 | N17 | H14 | 0.1° | 0.0° |
| N17 | C18 | N20 | H15 | 179.7° | 179.8° |
| O19 | C18 | N17 | H14 | 0.1° | 0.0° |
| O19 | C18 | N20 | H15 | 0.0° | 0.2° |
| O3 | C2 | N4 | C5 | 179.4° | 5.1° |
| O3 | C2 | N4 | C8 | 0.3° | 174.9° |
| C2 | N4 | C5 | C6 | 119.8° | 126.4° |
| C2 | N4 | C5 | C8 | 179.8° | 180.0° |
| C2 | N4 | C8 | C7 | 123.1° | 126.4° |
| C2 | N4 | C5 | H6 | 120.2° | 113.8° |
| C2 | N4 | C5 | H7 | 0.2° | 6.6° |
| C2 | N4 | C8 | H12 | 116.7° | 6.6° |
| C2 | N4 | C8 | H13 | 2.9° | 113.7° |
| C13 | C15 | C9 | H3 | 180.0° | 179.7° |
| C15 | C13 | C12 | CL16 | 179.6° | 180.0° |
| C15 | C13 | C12 | C11 | 0.2° | 0.0° |
| C13 | C15 | C9 | C24 | 179.3° | 180.0° |
| C13 | C15 | C9 | C10 | 0.0° | 0.5° |
| C12 | C13 | C15 | C9 | 0.1° | 0.3° |
| C13 | C12 | CL16 | C11 | 179.4° | 180.0° |
| C13 | C12 | C11 | C10 | 0.6° | 0.0° |
| C13 | C12 | C11 | H2 | 179.4° | 180.0° |
| C12 | C13 | C15 | H3 | 180.0° | 180.0° |
| C15 | C9 | C24 | C6 | 15.2° | 120.0° |
| C15 | C9 | C24 | C7 | 112.6° | 120.0° |
| C15 | C9 | C24 | C10 | 179.3° | 179.5° |
| C15 | C9 | C10 | C11 | 0.3° | 0.5° |
| C15 | C9 | C10 | H1 | 179.7° | 179.8° |
| C15 | C9 | C24 | H5 | 131.2° | 0.0° |
| C5 | C6 | C24 | H8 | 119.9° | 119.9° |
| C5 | C6 | C24 | H9 | 119.9° | 120.0° |
| C6 | C5 | N4 | H6 | 119.9° | 119.7° |
| C6 | C5 | N4 | H7 | 120.0° | 119.8° |
| C6 | C5 | N4 | C8 | 59.9° | 53.6° |
| C5 | C6 | C24 | C7 | 59.8° | 61.4° |
| C5 | C6 | C24 | C9 | 169.8° | 178.6° |
| C5 | C6 | C24 | H5 | 53.7° | 58.6° |
| C6 | C5 | H6 | H7 | 120.0° | 120.3° |
| C5 | C6 | H8 | H9 | 120.4° | 120.1° |
| C24 | C6 | C5 | N4 | 60.5° | 54.7° |
| C6 | C24 | C7 | C9 | 130.3° | 120.0° |
| C6 | C24 | C7 | H5 | 113.4° | 120.0° |
| C6 | C24 | C7 | C8 | 56.3° | 61.4° |
| C6 | C24 | C9 | H5 | 116.0° | 120.0° |
| C6 | C24 | C9 | C10 | 164.1° | 60.5° |
| C24 | C6 | C5 | H6 | 59.5° | 65.1° |
| C24 | C6 | C5 | H7 | 179.5° | 174.6° |
| C24 | C6 | H8 | H9 | 120.4° | 120.1° |
| C6 | C24 | C7 | H10 | 63.7° | 58.6° |
| C6 | C24 | C7 | H11 | 176.4° | 178.7° |
| C5 | N4 | C8 | C7 | 56.7° | 53.6° |
| N4 | C5 | H6 | H7 | 120.1° | 120.5° |
| N4 | C5 | C6 | H8 | 59.4° | 174.6° |
| N4 | C5 | C6 | H9 | 179.6° | 65.4° |
| C5 | N4 | C8 | H12 | 63.6° | 173.4° |
| C5 | N4 | C8 | H13 | 176.9° | 66.2° |
| N4 | C8 | C7 | C24 | 54.0° | 54.6° |
| N4 | C8 | C7 | H12 | 120.2° | 119.8° |
| N4 | C8 | C7 | H13 | 120.2° | 119.9° |
| C8 | N4 | C5 | H6 | 60.0° | 66.1° |
| C8 | N4 | C5 | H7 | 179.9° | 173.4° |
| N4 | C8 | C7 | H10 | 66.1° | 65.3° |
| N4 | C8 | C7 | H11 | 174.0° | 174.5° |
| N4 | C8 | H12 | H13 | 119.3° | 120.4° |
| CL16 | C12 | C11 | C10 | 180.0° | 180.0° |
| CL16 | C12 | C11 | H2 | 0.0° | 0.0° |
| C24 | C7 | C8 | H10 | 120.1° | 119.9° |
| C24 | C7 | C8 | H11 | 120.1° | 119.9° |
| C7 | C24 | C9 | H5 | 116.2° | 119.9° |
| C7 | C24 | C9 | C10 | 68.1° | 59.5° |
| C7 | C24 | C6 | H8 | 60.1° | 178.7° |
| C7 | C24 | C6 | H9 | 179.7° | 58.6° |
| C24 | C7 | H10 | H11 | 119.8° | 120.0° |
| C24 | C7 | C8 | H12 | 66.3° | 174.4° |
| C24 | C7 | C8 | H13 | 174.2° | 65.3° |
| C8 | C7 | C24 | C9 | 173.4° | 178.7° |
| C8 | C7 | C24 | H5 | 57.1° | 58.7° |
| C8 | C7 | H10 | H11 | 119.8° | 120.2° |
| C7 | C8 | H12 | H13 | 119.2° | 120.3° |
| C12 | C11 | C10 | C9 | 0.6° | 0.2° |
| C12 | C11 | C10 | H2 | 180.0° | 180.0° |
| C12 | C11 | C10 | H1 | 179.4° | 180.0° |
| C24 | C9 | C10 | C11 | 179.6° | 180.0° |
| C24 | C9 | C10 | H1 | 0.3° | 0.3° |
| C24 | C9 | C15 | H3 | 0.7° | 0.3° |
| C9 | C24 | C6 | H8 | 70.3° | 58.7° |
| C9 | C24 | C6 | H9 | 49.9° | 61.4° |
| C9 | C24 | C7 | H10 | 66.6° | 61.4° |
| C9 | C24 | C7 | H11 | 53.3° | 58.7° |
| C9 | C10 | C11 | H1 | 180.0° | 179.8° |
| C9 | C10 | C11 | H2 | 179.4° | 179.8° |
| C10 | C9 | C15 | H3 | 180.0° | 179.8° |
| C10 | C9 | C24 | H5 | 48.1° | 179.5° |
| H1 | C10 | C11 | H2 | 0.6° | 0.0° |
| H5 | C24 | C6 | H8 | 173.5° | 61.3° |
| H5 | C24 | C6 | H9 | 66.2° | 178.6° |
| H5 | C24 | C7 | H10 | 177.1° | 178.6° |
| H5 | C24 | C7 | H11 | 63.0° | 61.3° |
| H6 | C5 | C6 | H8 | 179.3° | 54.8° |
| H6 | C5 | C6 | H9 | 60.4° | 174.9° |
| H7 | C5 | C6 | H8 | 60.6° | 65.5° |
| H7 | C5 | C6 | H9 | 59.6° | 54.6° |
| H10 | C7 | C8 | H12 | 173.7° | 54.6° |
| H10 | C7 | C8 | H13 | 54.1° | 174.8° |
| H11 | C7 | C8 | H12 | 53.8° | 65.6° |
| H11 | C7 | C8 | H13 | 65.7° | 54.6° |
