EO0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | N18 | sing | 1.47Å | 1.44Å | |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C25 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| N18 | C16 | sing | 1.35Å | 1.44Å | |
| O17 | C16 | doub | 1.22Å | 1.19Å | |
| C20 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | C11 | sing | 1.48Å | 1.53Å | |
| C24 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C07 | sing | 1.39Å | 1.41Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C03 | C04 | doub | 1.39Å | 1.42Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.36Å | 1.39Å | Aromatic |
| C07 | C04 | sing | 1.48Å | 1.45Å | Aromatic |
| C07 | C08 | doub | 1.41Å | 1.37Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | S26 | sing | 1.76Å | 1.82Å | |
| C04 | C05 | sing | 1.40Å | 1.37Å | Aromatic |
| C02 | C01 | doub | 1.39Å | 1.40Å | Aromatic |
| O28 | S26 | doub | 1.42Å | 1.46Å | |
| C13 | C08 | sing | 1.39Å | 1.42Å | Aromatic |
| C08 | N09 | sing | 1.38Å | 1.36Å | Aromatic |
| C05 | N09 | sing | 1.38Å | 1.36Å | Aromatic |
| C05 | C06 | doub | 1.39Å | 1.43Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| S26 | C27 | sing | 1.81Å | 1.82Å | |
| S26 | O29 | doub | 1.42Å | 1.48Å | |
| N09 | C14 | sing | 1.46Å | 1.46Å | |
| C27 | C30 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| N18 | H181 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N18 | C19 | C20 | 104.5° | 109.4° |
| C19 | N18 | C16 | 117.6° | 120.0° |
| N18 | C19 | H192 | 110.7° | 109.5° |
| N18 | C19 | H191 | 110.7° | 109.5° |
| C19 | N18 | H181 | 121.2° | 120.0° |
| C19 | C20 | C25 | 118.6° | 120.0° |
| C19 | C20 | C21 | 120.7° | 120.0° |
| C20 | C19 | H192 | 110.7° | 109.4° |
| C20 | C19 | H191 | 110.7° | 109.5° |
| C20 | C25 | C24 | 120.1° | 120.0° |
| C25 | C20 | C21 | 120.7° | 120.0° |
| C20 | C25 | H251 | 120.0° | 120.0° |
| C25 | C24 | C23 | 119.9° | 120.0° |
| C25 | C24 | H241 | 120.0° | 120.0° |
| C24 | C25 | H251 | 120.0° | 120.0° |
| N18 | C16 | O17 | 119.2° | 120.0° |
| N18 | C16 | C11 | 116.4° | 120.0° |
| C16 | N18 | H181 | 121.2° | 120.0° |
| O17 | C16 | C11 | 124.4° | 120.0° |
| C20 | C21 | C22 | 119.2° | 120.0° |
| C20 | C21 | H211 | 120.4° | 120.0° |
| C16 | C11 | C10 | 120.4° | 120.1° |
| C16 | C11 | C12 | 119.1° | 120.1° |
| C24 | C23 | C22 | 120.5° | 120.0° |
| C24 | C23 | S26 | 117.5° | 120.0° |
| C23 | C24 | H241 | 120.1° | 119.9° |
| C10 | C11 | C12 | 120.6° | 119.9° |
| C11 | C10 | C07 | 119.4° | 119.5° |
| C11 | C10 | H101 | 120.3° | 120.2° |
| C11 | C12 | C13 | 119.7° | 120.6° |
| C11 | C12 | H121 | 120.2° | 119.7° |
| C10 | C07 | C04 | 132.4° | 133.4° |
| C10 | C07 | C08 | 120.6° | 120.1° |
| C07 | C10 | H101 | 120.3° | 120.3° |
| C21 | C22 | C23 | 119.7° | 120.0° |
| C22 | C21 | H211 | 120.4° | 120.0° |
| C21 | C22 | H221 | 120.1° | 120.0° |
| C04 | C03 | C02 | 120.0° | 119.7° |
| C03 | C04 | C07 | 133.7° | 133.5° |
| C03 | C04 | C05 | 119.8° | 120.1° |
| C04 | C03 | H031 | 120.0° | 120.1° |
| C03 | C02 | C01 | 120.3° | 120.3° |
| C03 | C02 | H021 | 119.9° | 119.8° |
| C02 | C03 | H031 | 120.0° | 120.2° |
| C12 | C13 | C08 | 119.8° | 120.4° |
| C12 | C13 | H131 | 120.1° | 119.7° |
| C13 | C12 | H121 | 120.2° | 119.8° |
| C04 | C07 | C08 | 107.0° | 106.4° |
| C07 | C04 | C05 | 106.5° | 106.4° |
| C07 | C08 | C13 | 119.9° | 119.5° |
| C07 | C08 | N09 | 107.7° | 108.4° |
| C22 | C23 | S26 | 122.0° | 120.0° |
| C23 | C22 | H221 | 120.2° | 120.0° |
| C23 | S26 | O28 | 108.8° | 104.3° |
| C23 | S26 | C27 | 109.1° | 104.4° |
| C23 | S26 | O29 | 112.8° | 104.3° |
| C04 | C05 | N09 | 108.3° | 108.4° |
| C04 | C05 | C06 | 119.9° | 119.3° |
| C02 | C01 | C06 | 119.3° | 120.5° |
| C02 | C01 | H011 | 120.3° | 119.7° |
| C01 | C02 | H021 | 119.9° | 119.9° |
| O28 | S26 | C27 | 108.5° | 110.6° |
| O28 | S26 | O29 | 105.3° | 121.0° |
| C13 | C08 | N09 | 132.5° | 132.1° |
| C08 | C13 | H131 | 120.1° | 119.9° |
| C08 | N09 | C05 | 110.5° | 110.4° |
| C08 | N09 | C14 | 125.8° | 124.8° |
| N09 | C05 | C06 | 131.7° | 132.3° |
| C05 | N09 | C14 | 123.6° | 124.8° |
| C05 | C06 | C01 | 120.6° | 120.1° |
| C05 | C06 | H061 | 119.7° | 120.0° |
| C06 | C01 | H011 | 120.3° | 119.8° |
| C01 | C06 | H061 | 119.7° | 119.9° |
| C27 | S26 | O29 | 112.2° | 110.5° |
| S26 | C27 | C30 | 109.9° | 109.5° |
| S26 | C27 | H272 | 109.4° | 109.5° |
| S26 | C27 | H271 | 109.4° | 109.5° |
| N09 | C14 | C15 | 112.5° | 109.5° |
| N09 | C14 | H141 | 108.7° | 109.5° |
| N09 | C14 | H142 | 108.7° | 109.5° |
| C30 | C27 | H272 | 109.4° | 109.5° |
| C30 | C27 | H271 | 109.3° | 109.5° |
| C27 | C30 | H303 | 109.5° | 109.5° |
| C27 | C30 | H301 | 109.5° | 109.5° |
| C27 | C30 | H302 | 109.5° | 109.5° |
| C14 | C15 | H152 | 109.5° | 109.5° |
| C14 | C15 | H151 | 109.5° | 109.5° |
| C14 | C15 | H153 | 109.5° | 109.5° |
| C15 | C14 | H141 | 108.7° | 109.5° |
| C15 | C14 | H142 | 108.7° | 109.5° |
| H152 | C15 | H151 | 109.5° | 109.4° |
| H152 | C15 | H153 | 109.5° | 109.5° |
| H151 | C15 | H153 | 109.4° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.4° |
| H192 | C19 | H191 | 109.4° | 109.5° |
| H272 | C27 | H271 | 109.5° | 109.5° |
| H303 | C30 | H301 | 109.4° | 109.4° |
| H303 | C30 | H302 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N18 | C19 | C20 | H192 | 119.2° | 120.0° |
| N18 | C19 | C20 | H191 | 119.2° | 120.1° |
| N18 | C19 | C20 | C25 | 163.6° | 89.7° |
| C19 | N18 | C16 | H181 | 180.0° | 180.0° |
| C19 | N18 | C16 | O17 | 3.0° | 0.1° |
| N18 | C19 | C20 | C21 | 16.2° | 90.0° |
| C19 | N18 | C16 | C11 | 177.9° | 180.0° |
| N18 | C19 | H192 | H191 | 122.3° | 120.1° |
| C19 | C20 | C25 | C21 | 179.8° | 179.8° |
| C19 | C20 | C25 | C24 | 179.9° | 179.7° |
| C20 | C19 | N18 | C16 | 79.6° | 179.9° |
| C19 | C20 | C21 | C22 | 179.8° | 180.0° |
| C19 | C20 | C21 | H211 | 0.2° | 0.1° |
| C20 | C19 | H192 | H191 | 122.3° | 120.0° |
| C19 | C20 | C25 | H251 | 0.1° | 0.3° |
| C20 | C19 | N18 | H181 | 100.3° | 0.0° |
| C20 | C25 | C24 | H251 | 180.0° | 179.4° |
| C20 | C25 | C24 | C23 | 0.0° | 0.6° |
| C25 | C20 | C21 | C22 | 0.0° | 0.2° |
| C25 | C20 | C21 | H211 | 180.0° | 179.7° |
| C20 | C25 | C24 | H241 | 180.0° | 179.8° |
| C25 | C20 | C19 | H192 | 44.4° | 30.2° |
| C25 | C20 | C19 | H191 | 77.2° | 150.2° |
| C24 | C25 | C20 | C21 | 0.1° | 0.6° |
| C25 | C24 | C23 | H241 | 180.0° | 179.6° |
| C25 | C24 | C23 | C22 | 0.3° | 0.3° |
| C25 | C24 | C23 | S26 | 179.4° | 180.0° |
| N18 | C16 | O17 | C11 | 178.9° | 179.9° |
| N18 | C16 | C11 | C10 | 153.0° | 180.0° |
| N18 | C16 | C11 | C12 | 27.2° | 0.0° |
| C16 | N18 | C19 | H192 | 39.6° | 60.0° |
| C16 | N18 | C19 | H191 | 161.1° | 60.0° |
| O17 | C16 | C11 | C10 | 25.9° | 0.1° |
| O17 | C16 | C11 | C12 | 153.9° | 179.9° |
| O17 | C16 | N18 | H181 | 177.0° | 180.0° |
| C20 | C21 | C22 | H211 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.3° | 0.0° |
| C20 | C21 | C22 | H221 | 179.7° | 180.0° |
| C21 | C20 | C19 | H192 | 135.5° | 150.0° |
| C21 | C20 | C19 | H191 | 103.0° | 30.0° |
| C21 | C20 | C25 | H251 | 179.9° | 180.0° |
| C16 | C11 | C10 | C12 | 179.8° | 180.0° |
| C16 | C11 | C10 | C07 | 180.0° | 180.0° |
| C16 | C11 | C12 | C13 | 179.8° | 179.5° |
| C16 | C11 | C10 | H101 | 0.0° | 0.3° |
| C16 | C11 | C12 | H121 | 0.2° | 0.0° |
| C11 | C16 | N18 | H181 | 2.0° | 0.1° |
| C24 | C23 | C22 | C21 | 0.4° | NaN° |
| C24 | C23 | C22 | S26 | 179.2° | 179.7° |
| C24 | C23 | S26 | O28 | 43.4° | 153.9° |
| C24 | C23 | S26 | C27 | 74.8° | 90.0° |
| C24 | C23 | S26 | O29 | 159.8° | 26.1° |
| C24 | C23 | C22 | H221 | 179.6° | 180.0° |
| C23 | C24 | C25 | H251 | 180.0° | 180.0° |
| C11 | C10 | C07 | H101 | 180.0° | 179.7° |
| C10 | C11 | C12 | C13 | 0.4° | 0.5° |
| C11 | C10 | C07 | C04 | 179.3° | 179.7° |
| C11 | C10 | C07 | C08 | 0.0° | 0.3° |
| C10 | C11 | C12 | H121 | 179.6° | 180.0° |
| C12 | C11 | C10 | C07 | 0.2° | 0.0° |
| C11 | C12 | C13 | H121 | 180.0° | 179.5° |
| C11 | C12 | C13 | C08 | 0.4° | 0.7° |
| C12 | C11 | C10 | H101 | 179.8° | 179.7° |
| C11 | C12 | C13 | H131 | 179.6° | 179.7° |
| C10 | C07 | C04 | C03 | 0.8° | 0.1° |
| C10 | C07 | C04 | C08 | 179.4° | 180.0° |
| C10 | C07 | C04 | C05 | 179.2° | 180.0° |
| C10 | C07 | C08 | C13 | 0.0° | 0.0° |
| C10 | C07 | C08 | N09 | 179.7° | 180.0° |
| C21 | C22 | C23 | H221 | 180.0° | 180.0° |
| C21 | C22 | C23 | S26 | 179.5° | 179.7° |
| C04 | C03 | C02 | H031 | 180.0° | 179.9° |
| C03 | C04 | C07 | C05 | 180.0° | 179.9° |
| C03 | C04 | C07 | C08 | 179.8° | 180.0° |
| C04 | C03 | C02 | C01 | 0.2° | 0.1° |
| C03 | C04 | C05 | N09 | 179.5° | 180.0° |
| C03 | C04 | C05 | C06 | 0.5° | 0.1° |
| C04 | C03 | C02 | H021 | 179.8° | 179.9° |
| C02 | C03 | C04 | C07 | 179.6° | 180.0° |
| C02 | C03 | C04 | C05 | 0.4° | 0.1° |
| C03 | C02 | C01 | H021 | 180.0° | 180.0° |
| C03 | C02 | C01 | C06 | 0.0° | 0.0° |
| C03 | C02 | C01 | H011 | 180.0° | 180.0° |
| C12 | C13 | C08 | C07 | 0.2° | 0.5° |
| C12 | C13 | C08 | H131 | 180.0° | 179.5° |
| C12 | C13 | C08 | N09 | 179.8° | 179.5° |
| C04 | C07 | C08 | C13 | 179.5° | 180.0° |
| C04 | C07 | C08 | N09 | 0.2° | 0.0° |
| C07 | C04 | C05 | N09 | 0.5° | 0.1° |
| C07 | C04 | C05 | C06 | 179.5° | 180.0° |
| C04 | C07 | C10 | H101 | 0.7° | 0.0° |
| C07 | C04 | C03 | H031 | 0.4° | 0.1° |
| C08 | C07 | C04 | C05 | 0.2° | 0.1° |
| C07 | C08 | C13 | N09 | 179.7° | 180.0° |
| C07 | C08 | N09 | C05 | 0.6° | 0.0° |
| C07 | C08 | N09 | C14 | 179.7° | 180.0° |
| C08 | C07 | C10 | H101 | 180.0° | 179.9° |
| C07 | C08 | C13 | H131 | 179.8° | 180.0° |
| C22 | C23 | S26 | O28 | 137.4° | 25.8° |
| C22 | C23 | S26 | C27 | 104.4° | 90.3° |
| C22 | C23 | S26 | O29 | 21.0° | 153.6° |
| C23 | C22 | C21 | H211 | 179.7° | 180.0° |
| C22 | C23 | C24 | H241 | 179.7° | 180.0° |
| C23 | S26 | O28 | C27 | 118.6° | 111.7° |
| C23 | S26 | O28 | O29 | 121.1° | 116.7° |
| C23 | S26 | C27 | O29 | 125.8° | 111.6° |
| C23 | S26 | C27 | C30 | 35.7° | 180.0° |
| S26 | C23 | C22 | H221 | 0.5° | 0.3° |
| S26 | C23 | C24 | H241 | 0.6° | 0.4° |
| C23 | S26 | C27 | H272 | 84.4° | 60.0° |
| C23 | S26 | C27 | H271 | 155.8° | 60.0° |
| C04 | C05 | N09 | C08 | 0.7° | 0.0° |
| C04 | C05 | N09 | C06 | 178.8° | 179.9° |
| C04 | C05 | C06 | C01 | 0.3° | 0.0° |
| C04 | C05 | N09 | C14 | 179.8° | 180.0° |
| C05 | C04 | C03 | H031 | 179.6° | 180.0° |
| C04 | C05 | C06 | H061 | 179.7° | 180.0° |
| C02 | C01 | C06 | C05 | 0.1° | 0.0° |
| C02 | C01 | C06 | H011 | 180.0° | 180.0° |
| C01 | C02 | C03 | H031 | 179.8° | 179.9° |
| C02 | C01 | C06 | H061 | 179.9° | 180.0° |
| O28 | S26 | C27 | O29 | 115.9° | 136.8° |
| O28 | S26 | C27 | C30 | 154.1° | 68.4° |
| O28 | S26 | C27 | H272 | 34.0° | 51.6° |
| O28 | S26 | C27 | H271 | 85.9° | 171.6° |
| C13 | C08 | N09 | C05 | 179.1° | 180.0° |
| C13 | C08 | N09 | C14 | 0.0° | 0.0° |
| C08 | C13 | C12 | H121 | 179.6° | 179.7° |
| C08 | N09 | C05 | C14 | 179.1° | 180.0° |
| C08 | N09 | C05 | C06 | 179.5° | 180.0° |
| C08 | N09 | C14 | C15 | 99.0° | 90.0° |
| N09 | C08 | C13 | H131 | 0.1° | 0.0° |
| C08 | N09 | C14 | H141 | 21.5° | 150.0° |
| C08 | N09 | C14 | H142 | 140.6° | 30.0° |
| N09 | C05 | C06 | C01 | 179.0° | 179.9° |
| C05 | N09 | C14 | C15 | 82.1° | 90.1° |
| N09 | C05 | C06 | H061 | 1.0° | 0.1° |
| C05 | N09 | C14 | H141 | 157.5° | 30.0° |
| C05 | N09 | C14 | H142 | 38.4° | 149.9° |
| C05 | C06 | C01 | H061 | 180.0° | 180.0° |
| C06 | C05 | N09 | C14 | 1.4° | 0.1° |
| C05 | C06 | C01 | H011 | 179.9° | 180.0° |
| C06 | C01 | C02 | H021 | 180.0° | 180.0° |
| S26 | C27 | C30 | H272 | 120.1° | 120.0° |
| S26 | C27 | C30 | H271 | 120.1° | 120.0° |
| S26 | C27 | H272 | H271 | 119.8° | 120.0° |
| S26 | C27 | C30 | H303 | 180.0° | 60.0° |
| S26 | C27 | C30 | H301 | 60.0° | 60.0° |
| S26 | C27 | C30 | H302 | 60.0° | 180.0° |
| O29 | S26 | C27 | C30 | 90.1° | 68.4° |
| O29 | S26 | C27 | H272 | 149.9° | 171.6° |
| O29 | S26 | C27 | H271 | 30.0° | 51.6° |
| N09 | C14 | C15 | H141 | 120.5° | 120.0° |
| N09 | C14 | C15 | H142 | 120.5° | 120.0° |
| N09 | C14 | C15 | H152 | 180.0° | 60.0° |
| N09 | C14 | C15 | H151 | 60.0° | 60.0° |
| N09 | C14 | C15 | H153 | 60.0° | 180.0° |
| N09 | C14 | H141 | H142 | 118.6° | 120.0° |
| C30 | C27 | H272 | H271 | 119.8° | 120.0° |
| C27 | C30 | H303 | H301 | 120.0° | 119.9° |
| C27 | C30 | H303 | H302 | 120.0° | 120.0° |
| C27 | C30 | H301 | H302 | 120.0° | 120.0° |
| C14 | C15 | H152 | H151 | 120.0° | 120.0° |
| C14 | C15 | H152 | H153 | 120.0° | 120.0° |
| C14 | C15 | H151 | H153 | 120.0° | 120.0° |
| C15 | C14 | H141 | H142 | 118.6° | 120.0° |
| H131 | C13 | C12 | H121 | 0.4° | 0.2° |
| H152 | C15 | H151 | H153 | 120.0° | 120.0° |
| H152 | C15 | C14 | H141 | 59.5° | 60.0° |
| H152 | C15 | C14 | H142 | 59.5° | NaN° |
| H151 | C15 | C14 | H141 | 179.6° | 180.0° |
| H151 | C15 | C14 | H142 | 60.5° | 60.0° |
| H153 | C15 | C14 | H141 | 60.5° | 60.0° |
| H153 | C15 | C14 | H142 | 179.5° | 60.0° |
| H211 | C21 | C22 | H221 | 0.3° | 0.0° |
| H241 | C24 | C25 | H251 | 0.0° | 0.4° |
| H011 | C01 | C02 | H021 | 0.0° | 0.0° |
| H011 | C01 | C06 | H061 | 0.1° | 0.0° |
| H021 | C02 | C03 | H031 | 0.2° | 0.0° |
| H192 | C19 | N18 | H181 | 140.4° | 119.9° |
| H191 | C19 | N18 | H181 | 18.9° | 120.0° |
| H272 | C27 | C30 | H303 | 59.9° | 60.1° |
| H272 | C27 | C30 | H301 | 179.9° | 180.0° |
| H272 | C27 | C30 | H302 | 60.1° | 60.0° |
| H271 | C27 | C30 | H303 | 59.9° | 180.0° |
| H271 | C27 | C30 | H301 | 60.0° | 60.0° |
| H271 | C27 | C30 | H302 | 179.9° | 60.0° |
| H303 | C30 | H301 | H302 | 120.0° | 120.0° |
