E6O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C26 | sing | 1.74Å | 1.80Å | |
| N16 | N17 | sing | 1.40Å | 1.40Å | |
| N16 | C15 | sing | 1.35Å | 1.32Å | |
| N17 | C13 | doub | 1.29Å | 1.36Å | |
| O18 | C15 | doub | 1.22Å | 1.28Å | |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | O14 | sing | 1.34Å | 1.36Å | |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.52Å | |
| C4 | C5 | sing | 1.55Å | 1.53Å | |
| C3 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| N31 | C29 | sing | 1.35Å | 1.34Å | |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | O14 | sing | 1.35Å | 1.37Å | |
| C13 | C12 | sing | 1.51Å | 1.47Å | |
| C24 | C29 | sing | 1.48Å | 1.49Å | |
| C24 | C23 | doub | 1.40Å | 1.41Å | Aromatic |
| C5 | C1 | sing | 1.54Å | 1.54Å | |
| C2 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C29 | O30 | doub | 1.22Å | 1.22Å | |
| C28 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | C10 | sing | 1.51Å | 1.49Å | |
| C23 | S20 | sing | 1.76Å | 1.60Å | |
| C12 | C10 | sing | 1.53Å | 1.54Å | |
| C12 | N19 | sing | 1.47Å | 1.49Å | |
| O21 | S20 | doub | 1.42Å | 1.44Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| N19 | S20 | sing | 1.66Å | 1.61Å | |
| S20 | O22 | doub | 1.42Å | 1.45Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.08Å | 1.08Å | |
| N31 | H14 | sing | 0.97Å | 1.00Å | |
| N31 | H15 | sing | 0.97Å | 1.00Å | |
| C27 | H16 | sing | 1.08Å | 1.08Å | |
| C28 | H17 | sing | 1.08Å | 1.08Å | |
| N19 | H18 | sing | 0.97Å | 1.00Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| N16 | H20 | sing | 0.97Å | 1.00Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C26 | C25 | 120.2° | 119.9° |
| CL | C26 | C27 | 119.8° | 119.9° |
| N17 | N16 | C15 | 108.6° | 106.7° |
| N16 | N17 | C13 | 102.5° | 107.9° |
| N17 | N16 | H20 | 125.7° | 126.6° |
| N16 | C15 | O18 | 122.0° | 126.4° |
| N16 | C15 | O14 | 112.8° | 107.3° |
| C15 | N16 | H20 | 125.7° | 126.6° |
| N17 | C13 | O14 | 114.3° | 109.3° |
| N17 | C13 | C12 | 131.5° | 125.3° |
| O18 | C15 | O14 | 125.2° | 126.4° |
| C8 | C9 | C3 | 119.2° | 120.2° |
| C9 | C8 | C7 | 119.0° | 119.9° |
| C9 | C8 | H8 | 120.5° | 120.1° |
| C8 | C9 | H9 | 120.4° | 119.8° |
| C9 | C3 | C4 | 126.7° | 130.4° |
| C9 | C3 | C2 | 121.5° | 119.8° |
| C3 | C9 | H9 | 120.4° | 119.9° |
| C15 | O14 | C13 | 101.7° | 108.8° |
| C8 | C7 | C6 | 121.4° | 119.9° |
| C8 | C7 | H7 | 119.3° | 120.0° |
| C7 | C8 | H8 | 120.5° | 120.0° |
| C25 | C26 | C27 | 120.0° | 120.1° |
| C26 | C25 | C24 | 120.7° | 119.8° |
| C26 | C25 | H13 | 119.7° | 120.1° |
| C26 | C27 | C28 | 119.7° | 120.3° |
| C26 | C27 | H16 | 120.2° | 119.9° |
| C25 | C24 | C29 | 116.5° | 120.1° |
| C25 | C24 | C23 | 119.9° | 119.8° |
| C24 | C25 | H13 | 119.6° | 120.1° |
| C3 | C4 | C5 | 104.5° | 105.2° |
| C4 | C3 | C2 | 111.8° | 109.8° |
| C3 | C4 | H3 | 110.7° | 110.3° |
| C3 | C4 | H4 | 110.7° | 110.3° |
| C4 | C5 | C1 | 106.6° | 102.2° |
| C5 | C4 | H3 | 110.7° | 110.3° |
| C5 | C4 | H4 | 110.7° | 110.3° |
| C4 | C5 | H5 | 110.2° | 110.9° |
| C4 | C5 | H6 | 110.2° | 110.8° |
| C3 | C2 | C6 | 120.5° | 119.9° |
| C3 | C2 | C1 | 110.5° | 109.7° |
| N31 | C29 | C24 | 119.5° | 120.0° |
| N31 | C29 | O30 | 122.9° | 120.1° |
| C29 | N31 | H14 | 120.0° | 120.1° |
| C29 | N31 | H15 | 120.0° | 120.0° |
| C27 | C28 | C23 | 120.8° | 120.2° |
| C28 | C27 | H16 | 120.2° | 119.9° |
| C27 | C28 | H17 | 119.6° | 119.9° |
| C7 | C6 | C2 | 118.4° | 120.2° |
| C7 | C6 | C10 | 119.2° | 119.9° |
| C6 | C7 | H7 | 119.3° | 120.1° |
| O14 | C13 | C12 | 114.0° | 125.4° |
| C13 | C12 | C10 | 108.9° | 109.5° |
| C13 | C12 | N19 | 113.4° | 109.5° |
| C13 | C12 | H19 | 108.2° | 109.4° |
| C29 | C24 | C23 | 123.6° | 120.1° |
| C24 | C29 | O30 | 117.6° | 120.0° |
| C24 | C23 | C28 | 118.9° | 119.8° |
| C24 | C23 | S20 | 123.1° | 120.1° |
| C5 | C1 | C2 | 104.7° | 105.3° |
| C5 | C1 | H1 | 110.6° | 110.3° |
| C5 | C1 | H2 | 110.6° | 110.3° |
| C1 | C5 | H5 | 110.2° | 110.9° |
| C1 | C5 | H6 | 110.2° | 110.9° |
| C6 | C2 | C1 | 129.1° | 130.4° |
| C2 | C6 | C10 | 122.4° | 119.9° |
| C2 | C1 | H1 | 110.7° | 110.2° |
| C2 | C1 | H2 | 110.6° | 110.3° |
| C28 | C23 | S20 | 117.9° | 120.1° |
| C23 | C28 | H17 | 119.6° | 119.9° |
| C6 | C10 | C12 | 112.5° | 109.5° |
| C6 | C10 | C11 | 108.0° | 109.5° |
| C6 | C10 | H21 | 108.8° | 109.5° |
| C23 | S20 | O21 | 109.9° | 106.4° |
| C23 | S20 | N19 | 106.6° | 107.2° |
| C23 | S20 | O22 | 112.3° | 106.4° |
| C10 | C12 | N19 | 110.8° | 109.5° |
| C12 | C10 | C11 | 111.2° | 109.4° |
| C10 | C12 | H19 | 107.3° | 109.5° |
| C12 | C10 | H21 | 108.1° | 109.5° |
| C12 | N19 | S20 | 117.7° | 120.0° |
| C12 | N19 | H18 | 107.4° | 120.0° |
| N19 | C12 | H19 | 108.0° | 109.5° |
| O21 | S20 | N19 | 107.8° | 106.4° |
| O21 | S20 | O22 | 108.6° | 123.1° |
| C10 | C11 | H10 | 109.5° | 109.4° |
| C10 | C11 | H11 | 109.5° | 109.4° |
| C10 | C11 | H12 | 109.5° | 109.5° |
| C11 | C10 | H21 | 108.2° | 109.4° |
| N19 | S20 | O22 | 111.5° | 106.4° |
| S20 | N19 | H18 | 107.3° | 120.0° |
| H1 | C1 | H2 | 109.5° | 110.2° |
| H3 | C4 | H4 | 109.5° | 110.3° |
| H5 | C5 | H6 | 109.5° | 110.9° |
| H10 | C11 | H11 | 109.4° | 109.5° |
| H10 | C11 | H12 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.5° | 109.5° |
| H14 | N31 | H15 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C26 | C25 | C27 | 179.4° | 179.8° |
| CL | C26 | C25 | C24 | 179.2° | 180.0° |
| CL | C26 | C27 | C28 | 179.9° | 180.0° |
| CL | C26 | C25 | H13 | 0.8° | 0.0° |
| CL | C26 | C27 | H16 | 0.1° | 0.0° |
| N17 | N16 | C15 | H20 | 180.0° | 180.0° |
| N17 | N16 | C15 | O18 | 179.7° | 180.0° |
| N17 | N16 | C15 | O14 | 0.2° | 0.0° |
| N16 | N17 | C13 | O14 | 2.1° | 0.1° |
| N16 | N17 | C13 | C12 | 176.8° | 179.7° |
| C15 | N16 | N17 | C13 | 1.4° | 0.0° |
| N16 | C15 | O18 | O14 | 179.9° | 179.9° |
| N16 | C15 | O14 | C13 | 1.0° | 0.1° |
| N17 | C13 | O14 | C15 | 2.0° | 0.1° |
| N17 | C13 | O14 | C12 | 175.6° | 179.7° |
| N17 | C13 | C12 | C10 | 115.8° | 85.4° |
| N17 | C13 | C12 | N19 | 120.3° | 34.7° |
| N17 | C13 | C12 | H19 | 0.6° | 154.6° |
| C13 | N17 | N16 | H20 | 178.6° | 180.0° |
| O18 | C15 | O14 | C13 | 179.0° | 180.0° |
| O18 | C15 | N16 | H20 | 0.3° | 0.0° |
| C8 | C9 | C3 | H9 | 180.0° | 180.0° |
| C9 | C8 | C7 | H8 | 180.0° | 180.0° |
| C8 | C9 | C3 | C4 | 179.9° | 180.0° |
| C8 | C9 | C3 | C2 | 0.0° | 0.0° |
| C9 | C8 | C7 | C6 | 0.5° | 0.0° |
| C9 | C8 | C7 | H7 | 179.5° | 180.0° |
| C3 | C9 | C8 | C7 | 0.1° | 0.0° |
| C9 | C3 | C4 | C2 | 179.8° | 180.0° |
| C9 | C3 | C4 | C5 | 171.8° | 162.8° |
| C9 | C3 | C2 | C6 | 0.3° | 0.0° |
| C9 | C3 | C2 | C1 | 179.6° | 180.0° |
| C9 | C3 | C4 | H3 | 52.6° | 43.8° |
| C9 | C3 | C4 | H4 | 69.0° | 78.2° |
| C3 | C9 | C8 | H8 | 179.9° | 180.0° |
| C15 | O14 | C13 | C12 | 177.6° | 179.7° |
| O14 | C15 | N16 | H20 | 179.8° | 180.0° |
| C8 | C7 | C6 | H7 | 180.0° | 180.0° |
| C8 | C7 | C6 | C2 | 0.8° | 0.0° |
| C8 | C7 | C6 | C10 | 178.6° | 180.0° |
| C7 | C8 | C9 | H9 | 179.9° | 180.0° |
| C26 | C25 | C24 | H13 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.5° | 0.2° |
| C26 | C25 | C24 | C29 | 179.7° | 179.9° |
| C26 | C25 | C24 | C23 | 1.0° | 0.0° |
| C25 | C26 | C27 | H16 | 179.5° | 179.7° |
| C27 | C26 | C25 | C24 | 0.2° | 0.2° |
| C26 | C27 | C28 | H16 | 180.0° | 180.0° |
| C26 | C27 | C28 | C23 | 0.3° | 0.0° |
| C27 | C26 | C25 | H13 | 179.8° | 179.7° |
| C26 | C27 | C28 | H17 | 179.7° | 179.9° |
| C25 | C24 | C29 | N31 | 58.3° | 6.7° |
| C25 | C24 | C29 | C23 | 178.6° | 180.0° |
| C25 | C24 | C29 | O30 | 121.4° | 173.4° |
| C25 | C24 | C23 | C28 | 1.2° | 0.3° |
| C25 | C24 | C23 | S20 | 179.3° | 180.0° |
| C3 | C4 | C5 | H3 | 119.2° | 118.9° |
| C3 | C4 | C5 | H4 | 119.2° | 118.9° |
| C3 | C4 | C5 | C1 | 13.4° | 26.3° |
| C4 | C3 | C2 | C6 | 179.6° | 180.0° |
| C4 | C3 | C2 | C1 | 0.3° | 0.0° |
| C3 | C4 | H3 | H4 | 122.3° | 122.1° |
| C3 | C4 | C5 | H5 | 106.2° | 144.6° |
| C3 | C4 | C5 | H6 | 132.9° | 91.9° |
| C4 | C3 | C9 | H9 | 0.1° | 0.0° |
| C5 | C4 | C3 | C2 | 8.4° | 17.2° |
| C4 | C5 | C1 | H5 | 119.5° | 118.2° |
| C4 | C5 | C1 | H6 | 119.5° | 118.1° |
| C4 | C5 | C1 | C2 | 13.6° | 26.3° |
| C4 | C5 | C1 | H1 | 132.8° | 92.6° |
| C4 | C5 | C1 | H2 | 105.7° | 145.4° |
| C5 | C4 | H3 | H4 | 122.3° | 122.1° |
| C4 | C5 | H5 | H6 | 121.3° | 123.5° |
| C3 | C2 | C6 | C7 | 0.7° | 0.0° |
| C3 | C2 | C1 | C5 | 8.8° | 17.2° |
| C3 | C2 | C6 | C1 | 179.2° | 180.0° |
| C3 | C2 | C6 | C10 | 178.7° | 180.0° |
| C3 | C2 | C1 | H1 | 128.0° | 101.8° |
| C3 | C2 | C1 | H2 | 110.5° | 136.2° |
| C2 | C3 | C4 | H3 | 127.6° | 136.2° |
| C2 | C3 | C4 | H4 | 110.8° | 101.7° |
| C2 | C3 | C9 | H9 | 180.0° | 180.0° |
| N31 | C29 | C24 | O30 | 179.7° | 179.9° |
| N31 | C29 | C24 | C23 | 123.1° | 173.3° |
| C29 | N31 | H14 | H15 | 180.0° | 179.9° |
| C27 | C28 | C23 | C24 | 0.5° | 0.2° |
| C27 | C28 | C23 | H17 | 180.0° | 179.9° |
| C27 | C28 | C23 | S20 | 178.8° | 180.0° |
| C7 | C6 | C2 | C10 | 179.4° | 179.9° |
| C7 | C6 | C2 | C1 | 179.9° | 180.0° |
| C7 | C6 | C10 | C12 | 56.4° | 59.9° |
| C7 | C6 | C10 | C11 | 66.6° | 60.0° |
| C6 | C7 | C8 | H8 | 179.5° | 180.0° |
| C7 | C6 | C10 | H21 | 176.2° | 180.0° |
| O14 | C13 | C12 | C10 | 58.9° | 95.0° |
| O14 | C13 | C12 | N19 | 65.0° | 144.9° |
| O14 | C13 | C12 | H19 | 175.2° | 25.0° |
| C13 | C12 | C10 | C6 | 49.4° | 60.0° |
| C13 | C12 | C10 | N19 | 125.4° | 120.0° |
| C13 | C12 | C10 | H19 | 116.9° | 120.0° |
| C13 | C12 | N19 | H19 | 119.9° | 120.0° |
| C13 | C12 | C10 | C11 | 170.6° | 180.0° |
| C13 | C12 | N19 | S20 | 99.0° | 97.7° |
| C13 | C12 | N19 | H18 | 22.2° | 82.3° |
| C13 | C12 | C10 | H21 | 70.7° | 60.0° |
| C29 | C24 | C23 | C28 | 179.7° | 179.7° |
| C29 | C24 | C23 | S20 | 2.1° | 0.1° |
| C29 | C24 | C25 | H13 | 0.3° | 0.0° |
| C24 | C29 | N31 | H14 | 179.7° | 0.1° |
| C24 | C29 | N31 | H15 | 0.3° | 180.0° |
| C23 | C24 | C29 | O30 | 57.3° | 6.6° |
| C24 | C23 | C28 | S20 | 178.3° | 179.8° |
| C24 | C23 | S20 | O21 | 38.7° | 176.3° |
| C24 | C23 | S20 | N19 | 155.3° | 62.7° |
| C24 | C23 | S20 | O22 | 82.3° | 50.9° |
| C23 | C24 | C25 | H13 | 179.0° | 180.0° |
| C24 | C23 | C28 | H17 | 179.5° | 179.7° |
| C5 | C1 | C2 | C6 | 172.0° | 162.8° |
| C5 | C1 | C2 | H1 | 119.2° | 118.9° |
| C5 | C1 | C2 | H2 | 119.2° | 119.1° |
| C5 | C1 | H1 | H2 | 122.2° | 122.1° |
| C1 | C5 | C4 | H3 | 132.6° | 145.3° |
| C1 | C5 | C4 | H4 | 105.8° | 92.6° |
| C1 | C5 | H5 | H6 | 121.3° | 123.6° |
| C2 | C6 | C10 | C12 | 124.2° | 120.0° |
| C2 | C6 | C10 | C11 | 112.8° | 120.0° |
| C6 | C2 | C1 | H1 | 52.7° | 78.3° |
| C6 | C2 | C1 | H2 | 68.8° | 43.7° |
| C2 | C6 | C7 | H7 | 179.2° | 180.0° |
| C2 | C6 | C10 | H21 | 4.5° | 0.0° |
| C1 | C2 | C6 | C10 | 0.5° | 0.0° |
| C2 | C1 | H1 | H2 | 122.2° | 122.0° |
| C2 | C1 | C5 | H5 | 106.0° | 144.5° |
| C2 | C1 | C5 | H6 | 133.1° | 91.8° |
| O30 | C29 | N31 | H14 | 0.0° | 180.0° |
| O30 | C29 | N31 | H15 | 180.0° | 0.1° |
| C28 | C23 | S20 | O21 | 139.4° | 3.5° |
| C28 | C23 | S20 | N19 | 22.9° | 117.1° |
| C28 | C23 | S20 | O22 | 99.5° | 129.4° |
| C23 | C28 | C27 | H16 | 179.7° | 180.0° |
| C6 | C10 | C12 | C11 | 121.2° | 120.0° |
| C6 | C10 | C12 | H21 | 120.1° | 120.0° |
| C6 | C10 | C12 | N19 | 174.8° | 180.0° |
| C6 | C10 | C11 | H21 | 117.6° | 120.0° |
| C10 | C6 | C7 | H7 | 1.4° | 0.0° |
| C6 | C10 | C11 | H10 | 180.0° | 60.0° |
| C6 | C10 | C11 | H11 | 60.0° | 60.0° |
| C6 | C10 | C11 | H12 | 60.0° | 180.0° |
| C6 | C10 | C12 | H19 | 67.5° | 60.0° |
| C23 | S20 | N19 | C12 | 85.1° | 64.6° |
| C23 | S20 | O21 | N19 | 115.8° | 114.1° |
| C23 | S20 | O21 | O22 | 123.3° | 122.9° |
| C23 | S20 | N19 | O22 | 122.9° | 113.6° |
| S20 | C23 | C28 | H17 | 1.2° | 0.1° |
| C23 | S20 | N19 | H18 | 36.0° | 115.4° |
| C10 | C12 | N19 | H19 | 117.3° | 120.1° |
| C12 | C10 | C11 | H21 | 118.6° | 120.0° |
| C10 | C12 | N19 | S20 | 138.1° | 142.3° |
| C12 | C10 | C11 | H10 | 56.2° | 180.0° |
| C12 | C10 | C11 | H11 | 176.2° | 60.0° |
| C12 | C10 | C11 | H12 | 63.8° | 60.0° |
| C10 | C12 | N19 | H18 | 100.7° | 37.7° |
| C12 | N19 | S20 | O21 | 32.9° | 48.9° |
| N19 | C12 | C10 | C11 | 64.0° | 60.0° |
| C12 | N19 | S20 | H18 | 121.2° | 180.0° |
| C12 | N19 | S20 | O22 | 152.0° | 178.2° |
| N19 | C12 | C10 | H21 | 54.7° | 60.0° |
| O21 | S20 | N19 | O22 | 119.1° | 132.9° |
| O21 | S20 | N19 | H18 | 154.1° | 131.1° |
| C10 | C11 | H10 | H11 | 120.0° | 119.9° |
| C10 | C11 | H10 | H12 | 120.0° | 120.0° |
| C10 | C11 | H11 | H12 | 120.0° | 120.1° |
| C11 | C10 | C12 | H19 | 53.7° | 60.0° |
| S20 | N19 | C12 | H19 | 20.9° | 22.3° |
| O22 | S20 | N19 | H18 | 86.9° | 1.8° |
| H1 | C1 | C5 | H5 | 13.3° | 25.6° |
| H1 | C1 | C5 | H6 | 107.6° | 149.3° |
| H2 | C1 | C5 | H5 | 134.8° | 96.4° |
| H2 | C1 | C5 | H6 | 13.9° | 27.2° |
| H3 | C4 | C5 | H5 | 13.0° | 96.5° |
| H3 | C4 | C5 | H6 | 107.9° | 27.1° |
| H4 | C4 | C5 | H5 | 134.6° | 25.6° |
| H4 | C4 | C5 | H6 | 13.7° | 149.2° |
| H7 | C7 | C8 | H8 | 0.5° | 0.0° |
| H8 | C8 | C9 | H9 | 0.1° | 0.0° |
| H10 | C11 | H11 | H12 | 120.0° | 120.0° |
| H10 | C11 | C10 | H21 | 62.4° | 60.1° |
| H11 | C11 | C10 | H21 | 57.6° | 180.0° |
| H12 | C11 | C10 | H21 | 177.6° | 60.0° |
| H16 | C27 | C28 | H17 | 0.3° | 0.0° |
| H18 | N19 | C12 | H19 | 142.0° | 157.7° |
| H19 | C12 | C10 | H21 | 172.4° | 180.0° |
