6ZO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O32 | C30 | doub | 1.22Å | 1.21Å | |
| C30 | O29 | sing | 1.34Å | 1.39Å | |
| C30 | N31 | sing | 1.35Å | 1.40Å | |
| O29 | C26 | sing | 1.36Å | 1.36Å | |
| N31 | C28 | sing | 1.39Å | 1.38Å | |
| C26 | C28 | doub | 1.40Å | 1.37Å | Aromatic |
| C26 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
| C24 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
| C27 | C25 | doub | 1.37Å | 1.39Å | Aromatic |
| C23 | C25 | sing | 1.40Å | 1.41Å | Aromatic |
| C23 | C21 | sing | 1.47Å | 1.49Å | |
| C21 | O22 | doub | 1.21Å | 1.21Å | |
| C21 | C20 | sing | 1.51Å | 1.52Å | |
| C20 | C17 | sing | 1.53Å | 1.54Å | |
| C17 | N16 | sing | 1.47Å | 1.48Å | |
| C14 | N16 | sing | 1.47Å | 1.48Å | |
| C14 | C12 | sing | 1.53Å | 1.53Å | |
| N16 | C15 | sing | 1.47Å | 1.48Å | |
| CL19 | C5 | sing | 1.74Å | 1.72Å | |
| C12 | N11 | sing | 1.47Å | 1.48Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C13 | sing | 1.53Å | 1.54Å | |
| C6 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| N11 | C13 | sing | 1.47Å | 1.48Å | |
| N11 | C9 | sing | 1.35Å | 1.39Å | |
| C4 | CL18 | sing | 1.74Å | 1.71Å | |
| C4 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| O8 | C9 | sing | 1.35Å | 1.37Å | |
| O8 | C7 | sing | 1.45Å | 1.43Å | |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C7 | sing | 1.51Å | 1.50Å | |
| C9 | O10 | doub | 1.22Å | 1.21Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.08Å | 1.08Å | |
| N31 | H7 | sing | 0.97Å | 1.00Å | |
| C27 | H8 | sing | 1.08Å | 1.08Å | |
| C25 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O32 | C30 | O29 | 123.7° | 125.2° |
| O32 | C30 | N31 | 123.2° | 125.3° |
| O29 | C30 | N31 | 113.0° | 109.5° |
| C30 | O29 | C26 | 103.2° | 109.0° |
| C30 | N31 | C28 | 103.1° | 107.6° |
| C30 | N31 | H7 | 128.4° | 126.2° |
| O29 | C26 | C28 | 111.1° | 107.2° |
| O29 | C26 | C24 | 128.9° | 133.0° |
| N31 | C28 | C26 | 109.5° | 106.6° |
| N31 | C28 | C27 | 127.7° | 133.1° |
| C28 | N31 | H7 | 128.5° | 126.2° |
| C28 | C26 | C24 | 120.1° | 119.8° |
| C26 | C28 | C27 | 122.7° | 120.3° |
| C26 | C24 | C23 | 119.1° | 119.7° |
| C26 | C24 | H6 | 120.4° | 120.1° |
| C28 | C27 | C25 | 117.8° | 120.1° |
| C28 | C27 | H8 | 121.1° | 120.0° |
| C24 | C23 | C25 | 119.3° | 119.9° |
| C24 | C23 | C21 | 120.2° | 120.1° |
| C23 | C24 | H6 | 120.5° | 120.2° |
| C27 | C25 | C23 | 120.9° | 120.2° |
| C25 | C27 | H8 | 121.1° | 119.9° |
| C27 | C25 | H9 | 119.6° | 119.9° |
| C25 | C23 | C21 | 120.4° | 120.0° |
| C23 | C25 | H9 | 119.5° | 119.9° |
| C23 | C21 | O22 | 120.6° | 120.0° |
| C23 | C21 | C20 | 120.6° | 120.0° |
| O22 | C21 | C20 | 118.8° | 120.0° |
| C21 | C20 | C17 | 113.0° | 109.5° |
| C21 | C20 | H10 | 108.6° | 109.5° |
| C21 | C20 | H11 | 108.6° | 109.4° |
| C20 | C17 | N16 | 114.9° | 109.5° |
| C17 | C20 | H10 | 108.6° | 109.5° |
| C17 | C20 | H11 | 108.6° | 109.4° |
| C20 | C17 | H12 | 108.1° | 109.5° |
| C20 | C17 | H13 | 108.1° | 109.4° |
| C17 | N16 | C14 | 114.4° | 111.0° |
| C17 | N16 | C15 | 113.7° | 111.0° |
| N16 | C17 | H12 | 108.1° | 109.5° |
| N16 | C17 | H13 | 108.1° | 109.5° |
| N16 | C14 | C12 | 109.0° | 109.4° |
| C14 | N16 | C15 | 109.0° | 111.2° |
| N16 | C14 | H15 | 109.6° | 109.4° |
| N16 | C14 | H16 | 109.6° | 109.5° |
| C14 | C12 | N11 | 110.4° | 108.5° |
| C12 | C14 | H15 | 109.6° | 109.4° |
| C12 | C14 | H16 | 109.6° | 109.5° |
| C14 | C12 | H17 | 109.2° | 109.7° |
| C14 | C12 | H18 | 109.3° | 109.6° |
| N16 | C15 | C13 | 111.6° | 109.4° |
| N16 | C15 | H19 | 108.9° | 109.5° |
| N16 | C15 | H20 | 109.0° | 109.5° |
| CL19 | C5 | C6 | 120.9° | 120.1° |
| CL19 | C5 | C3 | 119.5° | 120.0° |
| C12 | N11 | C13 | 111.4° | 118.2° |
| C12 | N11 | C9 | 123.2° | 120.9° |
| N11 | C12 | H17 | 109.2° | 109.6° |
| N11 | C12 | H18 | 109.2° | 109.6° |
| C6 | C5 | C3 | 119.6° | 119.9° |
| C5 | C6 | C4 | 120.0° | 120.0° |
| C5 | C6 | H3 | 120.0° | 120.0° |
| C5 | C3 | C1 | 120.4° | 120.0° |
| C5 | C3 | H4 | 119.8° | 120.0° |
| C15 | C13 | N11 | 112.8° | 108.5° |
| C13 | C15 | H19 | 109.0° | 109.5° |
| C13 | C15 | H20 | 108.9° | 109.5° |
| C15 | C13 | H21 | 108.6° | 109.6° |
| C15 | C13 | H22 | 108.6° | 109.6° |
| C6 | C4 | CL18 | 119.3° | 120.0° |
| C6 | C4 | C2 | 120.4° | 120.0° |
| C4 | C6 | H3 | 120.0° | 120.0° |
| C3 | C1 | C2 | 120.4° | 120.0° |
| C3 | C1 | C7 | 117.4° | 120.0° |
| C1 | C3 | H4 | 119.8° | 120.0° |
| C13 | N11 | C9 | 125.4° | 120.8° |
| N11 | C13 | H21 | 108.6° | 109.7° |
| N11 | C13 | H22 | 108.6° | 109.8° |
| N11 | C9 | O8 | 122.3° | 120.0° |
| N11 | C9 | O10 | 118.9° | 120.0° |
| CL18 | C4 | C2 | 120.2° | 120.0° |
| C4 | C2 | C1 | 119.2° | 120.0° |
| C4 | C2 | H5 | 120.4° | 120.0° |
| C9 | O8 | C7 | 119.0° | 117.0° |
| O8 | C9 | O10 | 118.8° | 120.0° |
| O8 | C7 | C1 | 114.6° | 109.5° |
| O8 | C7 | H1 | 108.2° | 109.5° |
| O8 | C7 | H2 | 108.2° | 109.5° |
| C2 | C1 | C7 | 122.2° | 120.0° |
| C1 | C2 | H5 | 120.4° | 120.0° |
| C1 | C7 | H1 | 108.1° | 109.4° |
| C1 | C7 | H2 | 108.1° | 109.5° |
| H1 | C7 | H2 | 109.5° | 109.5° |
| H10 | C20 | H11 | 109.5° | 109.5° |
| H12 | C17 | H13 | 109.5° | 109.5° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| H17 | C12 | H18 | 109.5° | 109.9° |
| H19 | C15 | H20 | 109.4° | 109.5° |
| H21 | C13 | H22 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O32 | C30 | O29 | N31 | 176.0° | 179.6° |
| O32 | C30 | O29 | C26 | 178.9° | 180.0° |
| O32 | C30 | N31 | C28 | 180.0° | 179.9° |
| O32 | C30 | N31 | H7 | 0.0° | 0.1° |
| O29 | C30 | N31 | C28 | 3.9° | 0.5° |
| C30 | O29 | C26 | C28 | 0.5° | 0.1° |
| C30 | O29 | C26 | C24 | 179.3° | 180.0° |
| O29 | C30 | N31 | H7 | 176.1° | 179.8° |
| N31 | C30 | O29 | C26 | 2.8° | 0.3° |
| C30 | N31 | C28 | H7 | 180.0° | 179.8° |
| C30 | N31 | C28 | C26 | 3.4° | 0.4° |
| C30 | N31 | C28 | C27 | 178.8° | 179.8° |
| O29 | C26 | C28 | N31 | 1.9° | 0.2° |
| O29 | C26 | C28 | C24 | 179.8° | 179.9° |
| O29 | C26 | C28 | C27 | 179.9° | 180.0° |
| O29 | C26 | C24 | C23 | 179.9° | 179.9° |
| O29 | C26 | C24 | H6 | 0.1° | 0.1° |
| N31 | C28 | C26 | C27 | 177.9° | 179.8° |
| N31 | C28 | C26 | C24 | 178.2° | 179.7° |
| N31 | C28 | C27 | C25 | 177.8° | 179.7° |
| N31 | C28 | C27 | H8 | 2.2° | 0.3° |
| C28 | C26 | C24 | C23 | 0.1° | 0.1° |
| C26 | C28 | C27 | C25 | 0.3° | 0.0° |
| C28 | C26 | C24 | H6 | 179.9° | 180.0° |
| C26 | C28 | N31 | H7 | 176.6° | 179.8° |
| C26 | C28 | C27 | H8 | 179.7° | 180.0° |
| C24 | C26 | C28 | C27 | 0.3° | 0.1° |
| C26 | C24 | C23 | H6 | 180.0° | 180.0° |
| C26 | C24 | C23 | C25 | 0.1° | 0.1° |
| C26 | C24 | C23 | C21 | 179.9° | 180.0° |
| C28 | C27 | C25 | H8 | 180.0° | 180.0° |
| C28 | C27 | C25 | C23 | 0.1° | 0.1° |
| C27 | C28 | N31 | H7 | 1.2° | 0.0° |
| C28 | C27 | C25 | H9 | 179.9° | 180.0° |
| C24 | C23 | C25 | C27 | 0.1° | 0.1° |
| C24 | C23 | C25 | C21 | 180.0° | 179.9° |
| C24 | C23 | C21 | O22 | 37.4° | 0.0° |
| C24 | C23 | C21 | C20 | 142.8° | 180.0° |
| C24 | C23 | C25 | H9 | 179.9° | 180.0° |
| C27 | C25 | C23 | H9 | 180.0° | 179.9° |
| C27 | C25 | C23 | C21 | 179.9° | 180.0° |
| C25 | C23 | C21 | O22 | 142.6° | 179.9° |
| C25 | C23 | C21 | C20 | 37.2° | 0.1° |
| C25 | C23 | C24 | H6 | 179.9° | 179.9° |
| C23 | C25 | C27 | H8 | 179.9° | 179.9° |
| C23 | C21 | O22 | C20 | 179.8° | 180.0° |
| C23 | C21 | C20 | C17 | 127.0° | 180.0° |
| C21 | C23 | C24 | H6 | 0.1° | 0.0° |
| C21 | C23 | C25 | H9 | 0.1° | 0.1° |
| C23 | C21 | C20 | H10 | 6.5° | 60.0° |
| C23 | C21 | C20 | H11 | 112.5° | 60.0° |
| O22 | C21 | C20 | C17 | 53.2° | 0.0° |
| O22 | C21 | C20 | H10 | 173.7° | 120.0° |
| O22 | C21 | C20 | H11 | 67.3° | 120.0° |
| C21 | C20 | C17 | H10 | 120.5° | 120.1° |
| C21 | C20 | C17 | H11 | 120.5° | 120.0° |
| C21 | C20 | C17 | N16 | 178.6° | 180.0° |
| C21 | C20 | H10 | H11 | 118.4° | 120.0° |
| C21 | C20 | C17 | H12 | 60.6° | 60.0° |
| C21 | C20 | C17 | H13 | 57.8° | 60.0° |
| C20 | C17 | N16 | H12 | 120.8° | 120.0° |
| C20 | C17 | N16 | H13 | 120.8° | 119.9° |
| C20 | C17 | N16 | C14 | 57.9° | 65.8° |
| C20 | C17 | N16 | C15 | 68.1° | 169.9° |
| C17 | C20 | H10 | H11 | 118.4° | 120.0° |
| C20 | C17 | H12 | H13 | 117.5° | 120.0° |
| C17 | N16 | C14 | C15 | 128.4° | 124.2° |
| C17 | N16 | C14 | C12 | 168.7° | 172.7° |
| C17 | N16 | C15 | C13 | 173.5° | 172.8° |
| N16 | C17 | C20 | H10 | 58.0° | 60.0° |
| N16 | C17 | C20 | H11 | 60.9° | 60.0° |
| N16 | C17 | H12 | H13 | 117.5° | 120.0° |
| C17 | N16 | C14 | H15 | 48.8° | 52.9° |
| C17 | N16 | C14 | H16 | 71.3° | 67.2° |
| C17 | N16 | C15 | H19 | 66.2° | 67.3° |
| C17 | N16 | C15 | H20 | 53.2° | 52.8° |
| N16 | C14 | C12 | H15 | 119.9° | 119.9° |
| N16 | C14 | C12 | H16 | 119.9° | 120.0° |
| N16 | C14 | C12 | N11 | 62.0° | 53.9° |
| C14 | N16 | C15 | C13 | 57.7° | 63.1° |
| C14 | N16 | C17 | H12 | 178.7° | 54.3° |
| C14 | N16 | C17 | H13 | 62.9° | 174.3° |
| N16 | C14 | H15 | H16 | 120.2° | 120.1° |
| N16 | C14 | C12 | H17 | 58.2° | 65.8° |
| N16 | C14 | C12 | H18 | 177.9° | 173.5° |
| C14 | N16 | C15 | H19 | 62.6° | 56.9° |
| C14 | N16 | C15 | H20 | 178.0° | 176.9° |
| C12 | C14 | N16 | C15 | 62.9° | 63.1° |
| C14 | C12 | N11 | H17 | 120.1° | 119.7° |
| C14 | C12 | N11 | H18 | 120.2° | 119.7° |
| C14 | C12 | N11 | C13 | 54.9° | 51.2° |
| C14 | C12 | N11 | C9 | 125.7° | 128.8° |
| C12 | C14 | H15 | H16 | 120.2° | 120.1° |
| C14 | C12 | H17 | H18 | 119.6° | 120.5° |
| N16 | C15 | C13 | H19 | 120.3° | 120.0° |
| N16 | C15 | C13 | H20 | 120.3° | 120.0° |
| N16 | C15 | C13 | N11 | 51.5° | 53.8° |
| C15 | N16 | C17 | H12 | 52.7° | 70.0° |
| C15 | N16 | C17 | H13 | 171.1° | 50.0° |
| C15 | N16 | C14 | H15 | 177.2° | 177.0° |
| C15 | N16 | C14 | H16 | 57.1° | 56.9° |
| N16 | C15 | H19 | H20 | 119.0° | 120.0° |
| N16 | C15 | C13 | H21 | 172.0° | 173.6° |
| N16 | C15 | C13 | H22 | 69.0° | 66.1° |
| CL19 | C5 | C6 | C3 | 179.8° | 180.0° |
| CL19 | C5 | C6 | C4 | 179.8° | 180.0° |
| CL19 | C5 | C3 | C1 | 179.7° | 180.0° |
| CL19 | C5 | C6 | H3 | 0.2° | 0.2° |
| CL19 | C5 | C3 | H4 | 0.3° | 0.0° |
| C12 | N11 | C13 | C15 | 49.8° | 51.2° |
| C12 | N11 | C13 | C9 | 179.4° | 180.0° |
| C12 | N11 | C9 | O8 | 0.6° | 180.0° |
| C12 | N11 | C9 | O10 | 179.8° | 0.0° |
| N11 | C12 | C14 | H15 | 178.1° | 173.8° |
| N11 | C12 | C14 | H16 | 58.0° | 66.2° |
| N11 | C12 | H17 | H18 | 119.6° | 120.4° |
| C12 | N11 | C13 | H21 | 170.2° | 170.9° |
| C12 | N11 | C13 | H22 | 70.7° | 68.6° |
| C5 | C6 | C4 | H3 | 180.0° | 179.7° |
| C6 | C5 | C3 | C1 | 0.2° | 0.0° |
| C5 | C6 | C4 | CL18 | 179.8° | 179.7° |
| C5 | C6 | C4 | C2 | 0.1° | 0.3° |
| C6 | C5 | C3 | H4 | 179.8° | 180.0° |
| C3 | C5 | C6 | C4 | 0.1° | 0.0° |
| C5 | C3 | C1 | H4 | 180.0° | 180.0° |
| C5 | C3 | C1 | C2 | 0.3° | 0.3° |
| C5 | C3 | C1 | C7 | 179.9° | 179.7° |
| C3 | C5 | C6 | H3 | 179.9° | 179.7° |
| C15 | C13 | N11 | H21 | 120.5° | 119.7° |
| C15 | C13 | N11 | H22 | 120.5° | 119.7° |
| C15 | C13 | N11 | C9 | 130.9° | 128.9° |
| C13 | C15 | H19 | H20 | 119.0° | 120.1° |
| C15 | C13 | H21 | H22 | 118.5° | 120.3° |
| C6 | C4 | CL18 | C2 | 179.9° | 180.0° |
| C6 | C4 | C2 | C1 | 0.3° | 0.6° |
| C6 | C4 | C2 | H5 | 179.7° | 180.0° |
| C3 | C1 | C2 | C4 | 0.4° | 0.6° |
| C3 | C1 | C7 | O8 | 62.6° | 89.4° |
| C3 | C1 | C2 | C7 | 179.5° | 179.4° |
| C3 | C1 | C7 | H1 | 176.6° | 30.6° |
| C3 | C1 | C7 | H2 | 58.1° | 150.6° |
| C3 | C1 | C2 | H5 | 179.6° | 180.0° |
| C13 | N11 | C9 | O8 | 179.9° | 0.0° |
| C13 | N11 | C9 | O10 | 0.6° | 180.0° |
| C13 | N11 | C12 | H17 | 65.2° | 68.5° |
| C13 | N11 | C12 | H18 | 175.1° | 170.9° |
| N11 | C13 | C15 | H19 | 68.8° | 66.2° |
| N11 | C13 | C15 | H20 | 171.8° | 173.8° |
| N11 | C13 | H21 | H22 | 118.4° | 120.7° |
| N11 | C9 | O8 | O10 | 179.5° | 180.0° |
| N11 | C9 | O8 | C7 | 153.6° | 180.0° |
| C9 | N11 | C12 | H17 | 114.2° | 111.5° |
| C9 | N11 | C12 | H18 | 5.5° | 9.2° |
| C9 | N11 | C13 | H21 | 10.4° | 9.2° |
| C9 | N11 | C13 | H22 | 108.6° | 111.4° |
| CL18 | C4 | C2 | C1 | 179.6° | 179.4° |
| CL18 | C4 | C6 | H3 | 0.2° | 0.0° |
| CL18 | C4 | C2 | H5 | 0.4° | 0.0° |
| C4 | C2 | C1 | H5 | 180.0° | 179.4° |
| C4 | C2 | C1 | C7 | 179.9° | 180.0° |
| C2 | C4 | C6 | H3 | 179.9° | 180.0° |
| C9 | O8 | C7 | C1 | 165.5° | 180.0° |
| C9 | O8 | C7 | H1 | 73.8° | 60.0° |
| C9 | O8 | C7 | H2 | 44.8° | 60.0° |
| O8 | C7 | C1 | C2 | 117.8° | 90.0° |
| O8 | C7 | C1 | H1 | 120.8° | 120.0° |
| O8 | C7 | C1 | H2 | 120.7° | 120.0° |
| C7 | O8 | C9 | O10 | 26.9° | 0.0° |
| O8 | C7 | H1 | H2 | 117.7° | 120.0° |
| C2 | C1 | C7 | H1 | 2.9° | 150.0° |
| C2 | C1 | C7 | H2 | 121.4° | 30.0° |
| C2 | C1 | C3 | H4 | 179.7° | 179.7° |
| C1 | C7 | H1 | H2 | 117.6° | 120.0° |
| C7 | C1 | C3 | H4 | 0.1° | 0.3° |
| C7 | C1 | C2 | H5 | 0.1° | 0.6° |
| H8 | C27 | C25 | H9 | 0.0° | 0.0° |
| H10 | C20 | C17 | H12 | 178.8° | 180.0° |
| H10 | C20 | C17 | H13 | 62.7° | 60.0° |
| H11 | C20 | C17 | H12 | 59.9° | 60.0° |
| H11 | C20 | C17 | H13 | 178.3° | 180.0° |
| H15 | C14 | C12 | H17 | 61.7° | 54.1° |
| H15 | C14 | C12 | H18 | 58.0° | 66.6° |
| H16 | C14 | C12 | H17 | 178.1° | 174.2° |
| H16 | C14 | C12 | H18 | 62.2° | 53.5° |
| H19 | C15 | C13 | H21 | 51.7° | 53.6° |
| H19 | C15 | C13 | H22 | 170.7° | 173.9° |
| H20 | C15 | C13 | H21 | 67.7° | 66.5° |
| H20 | C15 | C13 | H22 | 51.4° | 53.9° |
