EYC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C17 | sing | 1.51Å | 1.52Å | |
| O18 | C17 | doub | 1.21Å | 1.19Å | |
| C17 | N16 | sing | 1.35Å | 1.44Å | |
| N16 | C15 | sing | 1.40Å | 1.44Å | |
| C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| O30 | S28 | doub | 1.42Å | 1.46Å | |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.43Å | 1.52Å | |
| O31 | S28 | doub | 1.42Å | 1.65Å | |
| O29 | S28 | sing | 1.52Å | 1.48Å | |
| S28 | C27 | sing | 1.76Å | 1.81Å | |
| C22 | S23 | sing | 1.76Å | 1.81Å | |
| C11 | C10 | trip | 1.17Å | 1.18Å | |
| C10 | C09 | sing | 1.43Å | 1.53Å | |
| C27 | C09 | doub | 1.40Å | 1.40Å | Aromatic |
| C27 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | C08 | sing | 1.40Å | 1.40Å | Aromatic |
| S23 | O24 | doub | 1.42Å | 1.47Å | |
| S23 | O26 | doub | 1.42Å | 1.63Å | |
| S23 | O25 | sing | 1.52Å | 1.46Å | |
| C32 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
| C06 | C07 | sing | 1.39Å | 1.41Å | Aromatic |
| C06 | N05 | sing | 1.40Å | 1.44Å | |
| N05 | C02 | sing | 1.35Å | 1.44Å | |
| C02 | O01 | doub | 1.21Å | 1.19Å | |
| C02 | C03 | sing | 1.51Å | 1.53Å | |
| C03 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| N05 | H4 | sing | 0.97Å | 1.00Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C32 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| N16 | H10 | sing | 0.97Å | 1.00Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | CL1 | sing | 1.80Å | 1.77Å | |
| C03 | CL2 | sing | 1.80Å | 1.79Å | |
| O29 | H3 | sing | 0.97Å | 0.95Å | |
| O25 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C17 | O18 | 121.5° | 120.0° |
| C19 | C17 | N16 | 117.2° | 120.0° |
| C17 | C19 | H11 | 109.7° | 109.5° |
| C17 | C19 | H12 | 109.7° | 109.4° |
| C17 | C19 | CL1 | 108.5° | 109.5° |
| O18 | C17 | N16 | 121.3° | 120.0° |
| C17 | N16 | C15 | 120.5° | 120.0° |
| C17 | N16 | H10 | 119.7° | 120.0° |
| N16 | C15 | C14 | 119.6° | 119.9° |
| N16 | C15 | C21 | 119.8° | 119.9° |
| C15 | N16 | H10 | 119.8° | 120.0° |
| C15 | C14 | C13 | 120.3° | 120.0° |
| C14 | C15 | C21 | 120.6° | 120.2° |
| C15 | C14 | H9 | 119.8° | 120.0° |
| C14 | C13 | C12 | 119.4° | 119.9° |
| C14 | C13 | H8 | 120.3° | 120.0° |
| C13 | C14 | H9 | 119.9° | 120.0° |
| C15 | C21 | C22 | 119.0° | 120.1° |
| C15 | C21 | H14 | 120.5° | 120.0° |
| C13 | C12 | C22 | 119.8° | 119.8° |
| C13 | C12 | C11 | 117.0° | 120.1° |
| C12 | C13 | H8 | 120.3° | 120.0° |
| O30 | S28 | O31 | 111.8° | 123.2° |
| O30 | S28 | O29 | 112.0° | 106.4° |
| O30 | S28 | C27 | 108.9° | 106.4° |
| C21 | C22 | C12 | 121.0° | 119.8° |
| C21 | C22 | S23 | 116.5° | 120.1° |
| C22 | C21 | H14 | 120.5° | 119.9° |
| C22 | C12 | C11 | 123.2° | 120.0° |
| C12 | C22 | S23 | 122.6° | 120.1° |
| C12 | C11 | C10 | 173.2° | 179.9° |
| O31 | S28 | O29 | 108.9° | 106.4° |
| O31 | S28 | C27 | 109.2° | 106.4° |
| O29 | S28 | C27 | 105.8° | 107.2° |
| S28 | O29 | H3 | 109.5° | 114.0° |
| S28 | C27 | C09 | 121.8° | 120.0° |
| S28 | C27 | C32 | 117.9° | 120.0° |
| C22 | S23 | O24 | 108.3° | 106.4° |
| C22 | S23 | O26 | 107.4° | 106.4° |
| C22 | S23 | O25 | 108.8° | 107.2° |
| C11 | C10 | C09 | 173.3° | 179.9° |
| C10 | C09 | C27 | 120.9° | 120.1° |
| C10 | C09 | C08 | 119.0° | 120.0° |
| C09 | C27 | C32 | 120.3° | 119.9° |
| C27 | C09 | C08 | 120.1° | 119.9° |
| C27 | C32 | C06 | 119.5° | 120.1° |
| C27 | C32 | H7 | 120.2° | 120.0° |
| C09 | C08 | C07 | 120.1° | 119.9° |
| C09 | C08 | H6 | 119.9° | 120.1° |
| O24 | S23 | O26 | 112.2° | 123.2° |
| O24 | S23 | O25 | 109.7° | 106.5° |
| O26 | S23 | O25 | 110.4° | 106.4° |
| S23 | O25 | H13 | 109.5° | 114.0° |
| C32 | C06 | C07 | 121.4° | 120.2° |
| C32 | C06 | N05 | 114.6° | 120.0° |
| C06 | C32 | H7 | 120.2° | 119.9° |
| C08 | C07 | C06 | 118.5° | 120.1° |
| C08 | C07 | H5 | 120.7° | 119.9° |
| C07 | C08 | H6 | 119.9° | 120.1° |
| C07 | C06 | N05 | 124.0° | 119.9° |
| C06 | C07 | H5 | 120.8° | 120.0° |
| C06 | N05 | C02 | 126.3° | 120.0° |
| C06 | N05 | H4 | 116.9° | 120.0° |
| N05 | C02 | O01 | 121.3° | 120.0° |
| N05 | C02 | C03 | 113.3° | 120.1° |
| C02 | N05 | H4 | 116.9° | 120.0° |
| O01 | C02 | C03 | 120.9° | 119.9° |
| C02 | C03 | H1 | 110.0° | 109.4° |
| C02 | C03 | H2 | 110.0° | 109.4° |
| C02 | C03 | CL2 | 107.3° | 109.5° |
| H1 | C03 | H2 | 109.5° | 109.5° |
| H1 | C03 | CL2 | 110.0° | 109.5° |
| H2 | C03 | CL2 | 110.0° | 109.5° |
| H11 | C19 | H12 | 109.4° | 109.5° |
| H11 | C19 | CL1 | 109.7° | 109.5° |
| H12 | C19 | CL1 | 109.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C17 | O18 | N16 | 179.7° | 179.9° |
| C19 | C17 | N16 | C15 | 170.9° | 174.8° |
| C19 | C17 | N16 | H10 | 9.1° | 5.1° |
| C17 | C19 | H11 | H12 | 120.4° | 119.9° |
| C17 | C19 | H11 | CL1 | 119.1° | 120.0° |
| C17 | C19 | H12 | CL1 | 119.2° | 120.0° |
| O18 | C17 | N16 | C15 | 8.9° | 5.3° |
| O18 | C17 | N16 | H10 | 171.1° | 174.8° |
| O18 | C17 | C19 | H11 | 165.0° | 120.0° |
| O18 | C17 | C19 | H12 | 44.7° | 120.0° |
| O18 | C17 | C19 | CL1 | 75.1° | 0.0° |
| C17 | N16 | C15 | H10 | 180.0° | 179.9° |
| C17 | N16 | C15 | C14 | 45.7° | 33.4° |
| C17 | N16 | C15 | C21 | 137.4° | 146.6° |
| N16 | C17 | C19 | H11 | 15.3° | 59.9° |
| N16 | C17 | C19 | H12 | 135.5° | 60.0° |
| N16 | C17 | C19 | CL1 | 104.6° | 180.0° |
| N16 | C15 | C14 | C21 | 176.9° | 179.9° |
| N16 | C15 | C14 | C13 | 177.5° | 179.9° |
| N16 | C15 | C21 | C22 | 177.4° | 179.9° |
| N16 | C15 | C14 | H9 | 2.5° | 0.1° |
| N16 | C15 | C21 | H14 | 2.6° | 0.0° |
| C15 | C14 | C13 | H9 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 0.2° | 0.0° |
| C14 | C15 | C21 | C22 | 0.6° | 0.0° |
| C15 | C14 | C13 | H8 | 179.8° | 179.9° |
| C14 | C15 | N16 | H10 | 134.3° | 146.5° |
| C14 | C15 | C21 | H14 | 179.4° | 179.9° |
| C13 | C14 | C15 | C21 | 0.6° | 0.0° |
| C14 | C13 | C12 | H8 | 180.0° | 179.9° |
| C14 | C13 | C12 | C22 | 0.2° | 0.0° |
| C14 | C13 | C12 | C11 | 178.0° | 179.7° |
| C15 | C21 | C22 | H14 | 180.0° | 179.9° |
| C15 | C21 | C22 | C12 | 0.2° | 0.0° |
| C15 | C21 | C22 | S23 | 179.1° | 179.8° |
| C21 | C15 | C14 | H9 | 179.4° | 179.9° |
| C21 | C15 | N16 | H10 | 42.6° | 33.5° |
| C13 | C12 | C22 | C21 | 0.3° | 0.0° |
| C13 | C12 | C22 | C11 | 177.6° | 179.7° |
| C13 | C12 | C22 | S23 | 178.7° | 179.7° |
| C13 | C12 | C11 | C10 | 100.8° | 13.1° |
| C12 | C13 | C14 | H9 | 179.8° | 179.9° |
| O30 | S28 | O31 | O29 | 124.3° | 123.0° |
| O30 | S28 | O31 | C27 | 120.6° | 122.9° |
| O30 | S28 | O29 | C27 | 118.5° | 113.5° |
| O30 | S28 | C27 | C09 | 67.5° | 164.0° |
| O30 | S28 | C27 | C32 | 115.4° | 16.3° |
| O30 | S28 | O29 | H3 | 0.0° | 66.5° |
| C21 | C22 | C12 | S23 | 178.9° | 179.8° |
| C21 | C22 | C12 | C11 | 177.9° | 179.7° |
| C21 | C22 | S23 | O24 | 128.5° | 96.6° |
| C21 | C22 | S23 | O26 | 7.2° | 130.5° |
| C21 | C22 | S23 | O25 | 112.2° | 17.0° |
| C22 | C12 | C11 | C10 | 76.9° | 167.2° |
| C12 | C22 | S23 | O24 | 52.5° | 83.6° |
| C12 | C22 | S23 | O26 | 173.8° | 49.3° |
| C12 | C22 | S23 | O25 | 66.7° | 162.8° |
| C22 | C12 | C13 | H8 | 179.8° | 179.9° |
| C12 | C22 | C21 | H14 | 179.8° | 180.0° |
| C11 | C12 | C22 | S23 | 1.0° | 0.0° |
| C12 | C11 | C10 | C09 | 9.8° | 175.8° |
| C11 | C12 | C13 | H8 | 2.0° | 0.4° |
| O31 | S28 | O29 | C27 | 117.3° | 113.5° |
| O31 | S28 | C27 | C09 | 170.2° | 31.1° |
| O31 | S28 | C27 | C32 | 6.9° | 149.3° |
| O31 | S28 | O29 | H3 | 124.1° | 66.4° |
| O29 | S28 | C27 | C09 | 53.0° | 82.5° |
| O29 | S28 | C27 | C32 | 124.1° | 97.2° |
| S28 | C27 | C09 | C10 | 2.9° | 0.0° |
| S28 | C27 | C09 | C32 | 177.0° | 179.7° |
| S28 | C27 | C09 | C08 | 176.6° | 180.0° |
| S28 | C27 | C32 | C06 | 176.7° | 179.7° |
| S28 | C27 | C32 | H7 | 3.3° | 0.3° |
| C27 | S28 | O29 | H3 | 118.5° | 180.0° |
| C22 | S23 | O24 | O26 | 118.3° | 122.9° |
| C22 | S23 | O24 | O25 | 118.7° | 114.1° |
| C22 | S23 | O26 | O25 | 118.5° | 114.1° |
| S23 | C22 | C21 | H14 | 0.9° | 0.2° |
| C22 | S23 | O25 | H13 | 118.3° | 180.0° |
| C11 | C10 | C09 | C27 | 157.7° | 8.5° |
| C11 | C10 | C09 | C08 | 22.9° | 171.5° |
| C10 | C09 | C27 | C08 | 179.4° | 180.0° |
| C10 | C09 | C27 | C32 | 179.9° | 179.7° |
| C10 | C09 | C08 | C07 | 179.6° | 180.0° |
| C10 | C09 | C08 | H6 | 0.5° | 0.1° |
| C09 | C27 | C32 | C06 | 0.5° | 0.6° |
| C27 | C09 | C08 | C07 | 0.1° | 0.0° |
| C27 | C09 | C08 | H6 | 179.9° | 179.9° |
| C09 | C27 | C32 | H7 | 179.5° | 180.0° |
| C32 | C27 | C09 | C08 | 0.5° | 0.3° |
| C27 | C32 | C06 | H7 | 180.0° | 179.4° |
| C27 | C32 | C06 | C07 | 0.1° | 0.5° |
| C27 | C32 | C06 | N05 | 179.6° | 179.7° |
| C09 | C08 | C07 | H6 | 180.0° | 179.9° |
| C09 | C08 | C07 | C06 | 0.2° | 0.1° |
| C09 | C08 | C07 | H5 | 179.8° | 180.0° |
| O24 | S23 | O26 | O25 | 122.6° | 123.0° |
| O24 | S23 | O25 | H13 | 0.0° | 66.4° |
| O26 | S23 | O25 | H13 | 124.1° | 66.5° |
| C32 | C06 | C07 | C08 | 0.2° | 0.2° |
| C32 | C06 | C07 | N05 | 179.8° | 179.8° |
| C32 | C06 | N05 | C02 | 177.7° | 33.5° |
| C32 | C06 | N05 | H4 | 2.3° | 146.4° |
| C32 | C06 | C07 | H5 | 179.8° | 179.7° |
| C08 | C07 | C06 | H5 | 180.0° | 179.9° |
| C08 | C07 | C06 | N05 | 180.0° | 180.0° |
| C07 | C06 | N05 | C02 | 2.1° | 146.7° |
| C07 | C06 | N05 | H4 | 177.9° | 33.4° |
| C06 | C07 | C08 | H6 | 179.8° | 180.0° |
| C07 | C06 | C32 | H7 | 179.8° | 180.0° |
| C06 | N05 | C02 | H4 | 180.0° | 179.9° |
| C06 | N05 | C02 | O01 | 22.6° | 5.2° |
| C06 | N05 | C02 | C03 | 178.9° | 174.5° |
| N05 | C06 | C07 | H5 | 0.0° | 0.0° |
| N05 | C06 | C32 | H7 | 0.4° | 0.3° |
| N05 | C02 | O01 | C03 | 154.5° | 179.8° |
| N05 | C02 | C03 | H1 | 59.5° | 59.8° |
| N05 | C02 | C03 | H2 | 179.8° | 60.2° |
| N05 | C02 | C03 | CL2 | 60.2° | 179.7° |
| O01 | C02 | C03 | H1 | 144.1° | 120.0° |
| O01 | C02 | C03 | H2 | 23.4° | 120.0° |
| O01 | C02 | N05 | H4 | 157.4° | 174.9° |
| O01 | C02 | C03 | CL2 | 96.3° | 0.0° |
| C02 | C03 | H1 | H2 | 121.0° | 119.9° |
| C02 | C03 | H1 | CL2 | 118.0° | 120.0° |
| C02 | C03 | H2 | CL2 | 118.0° | 120.0° |
| C03 | C02 | N05 | H4 | 1.1° | 5.4° |
| H1 | C03 | H2 | CL2 | 121.0° | 120.1° |
| H5 | C07 | C08 | H6 | 0.2° | 0.1° |
| H8 | C13 | C14 | H9 | 0.2° | 0.0° |
| H11 | C19 | H12 | CL1 | 120.4° | 120.0° |
