EUN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.50Å | |
| N03 | C02 | sing | 1.36Å | 1.43Å | |
| N03 | C04 | sing | 1.35Å | 1.41Å | |
| C02 | N22 | doub | 1.30Å | 1.42Å | |
| O23 | C04 | doub | 1.22Å | 1.22Å | |
| C04 | C05 | sing | 1.47Å | 1.52Å | |
| N22 | C06 | sing | 1.36Å | 1.45Å | |
| C06 | C05 | doub | 1.41Å | 1.36Å | Aromatic |
| C06 | C07 | sing | 1.40Å | 1.42Å | Aromatic |
| C05 | C20 | sing | 1.39Å | 1.44Å | Aromatic |
| C07 | C08 | doub | 1.36Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.51Å | |
| C20 | C09 | doub | 1.39Å | 1.41Å | Aromatic |
| C08 | C09 | sing | 1.40Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.48Å | 1.39Å | |
| C12 | N13 | sing | 1.31Å | 1.35Å | Aromatic |
| C10 | C19 | doub | 1.42Å | 1.43Å | Aromatic |
| N13 | C14 | doub | 1.34Å | 1.39Å | Aromatic |
| C19 | C14 | sing | 1.42Å | 1.36Å | Aromatic |
| C19 | C18 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | C15 | sing | 1.41Å | 1.42Å | Aromatic |
| C18 | C17 | doub | 1.36Å | 1.40Å | Aromatic |
| C15 | C16 | doub | 1.36Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | N03 | 122.0° | 118.3° |
| C01 | C02 | N22 | 118.1° | 118.3° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C02 | N03 | C04 | 120.7° | 120.6° |
| N03 | C02 | N22 | 119.9° | 123.4° |
| C02 | N03 | H031 | 119.7° | 119.7° |
| N03 | C04 | O23 | 119.5° | 121.3° |
| N03 | C04 | C05 | 119.5° | 117.4° |
| C04 | N03 | H031 | 119.7° | 119.7° |
| C02 | N22 | C06 | 119.6° | 121.6° |
| O23 | C04 | C05 | 121.0° | 121.3° |
| C04 | C05 | C06 | 118.0° | 118.0° |
| C04 | C05 | C20 | 123.7° | 121.9° |
| N22 | C06 | C05 | 122.3° | 119.0° |
| N22 | C06 | C07 | 116.9° | 121.5° |
| C05 | C06 | C07 | 120.7° | 119.5° |
| C06 | C05 | C20 | 118.2° | 120.1° |
| C06 | C07 | C08 | 121.2° | 120.0° |
| C06 | C07 | H071 | 119.4° | 120.0° |
| C05 | C20 | C21 | 119.9° | 120.4° |
| C05 | C20 | C09 | 120.3° | 119.3° |
| C07 | C08 | C09 | 119.7° | 120.8° |
| C08 | C07 | H071 | 119.4° | 120.0° |
| C07 | C08 | H081 | 120.1° | 119.6° |
| C21 | C20 | C09 | 119.8° | 120.3° |
| C20 | C21 | H213 | 109.5° | 109.5° |
| C20 | C21 | H211 | 109.4° | 109.4° |
| C20 | C21 | H212 | 109.5° | 109.5° |
| C20 | C09 | C08 | 119.9° | 120.2° |
| C20 | C09 | C10 | 122.1° | 119.9° |
| C08 | C09 | C10 | 118.0° | 119.9° |
| C09 | C08 | H081 | 120.2° | 119.6° |
| C12 | C11 | C10 | 120.6° | 119.7° |
| C11 | C12 | N13 | 119.6° | 121.8° |
| C12 | C11 | H111 | 119.7° | 120.2° |
| C11 | C12 | H121 | 120.2° | 119.1° |
| C11 | C10 | C09 | 117.8° | 121.1° |
| C11 | C10 | C19 | 118.5° | 117.8° |
| C10 | C11 | H111 | 119.7° | 120.2° |
| C09 | C10 | C19 | 123.7° | 121.1° |
| C12 | N13 | C14 | 121.3° | 121.8° |
| N13 | C12 | H121 | 120.2° | 119.1° |
| C10 | C19 | C14 | 119.2° | 118.9° |
| C10 | C19 | C18 | 121.5° | 121.4° |
| N13 | C14 | C19 | 120.8° | 120.0° |
| N13 | C14 | C15 | 118.8° | 120.9° |
| C14 | C19 | C18 | 119.3° | 119.7° |
| C19 | C14 | C15 | 120.4° | 119.1° |
| C19 | C18 | C17 | 120.5° | 119.7° |
| C19 | C18 | H181 | 119.7° | 120.2° |
| C14 | C15 | C16 | 120.4° | 119.7° |
| C14 | C15 | H151 | 119.8° | 120.2° |
| C18 | C17 | C16 | 120.1° | 120.8° |
| C18 | C17 | H171 | 120.0° | 119.6° |
| C17 | C18 | H181 | 119.8° | 120.1° |
| C15 | C16 | C17 | 119.4° | 121.1° |
| C16 | C15 | H151 | 119.8° | 120.2° |
| C15 | C16 | H161 | 120.3° | 119.4° |
| C17 | C16 | H161 | 120.3° | 119.5° |
| C16 | C17 | H171 | 119.9° | 119.6° |
| H213 | C21 | H211 | 109.5° | 109.5° |
| H213 | C21 | H212 | 109.5° | 109.4° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.4° | 109.5° |
| H013 | C01 | H012 | 109.4° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | N03 | N22 | 179.9° | 180.0° |
| C01 | C02 | N03 | C04 | 180.0° | 180.0° |
| C01 | C02 | N22 | C06 | 179.9° | 180.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 119.9° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C01 | C02 | N03 | H031 | 0.0° | 0.1° |
| C02 | N03 | C04 | H031 | 180.0° | 179.9° |
| C02 | N03 | C04 | O23 | 179.6° | 179.9° |
| C02 | N03 | C04 | C05 | 0.2° | 0.1° |
| N03 | C02 | N22 | C06 | 0.2° | 0.0° |
| N03 | C02 | C01 | H013 | 180.0° | 180.0° |
| N03 | C02 | C01 | H011 | 60.0° | 60.0° |
| N03 | C02 | C01 | H012 | 60.1° | 60.1° |
| C04 | N03 | C02 | N22 | 0.0° | 0.0° |
| N03 | C04 | O23 | C05 | 179.7° | 180.0° |
| N03 | C04 | C05 | C06 | 0.2° | 0.0° |
| N03 | C04 | C05 | C20 | 179.7° | 180.0° |
| C02 | N22 | C06 | C05 | 0.2° | 0.0° |
| C02 | N22 | C06 | C07 | 179.7° | 180.0° |
| N22 | C02 | C01 | H013 | 0.0° | 0.0° |
| N22 | C02 | C01 | H011 | 120.0° | 120.0° |
| N22 | C02 | C01 | H012 | 120.0° | 119.9° |
| N22 | C02 | N03 | H031 | 180.0° | 179.9° |
| O23 | C04 | C05 | C06 | 179.6° | 180.0° |
| O23 | C04 | C05 | C20 | 0.6° | 0.0° |
| O23 | C04 | N03 | H031 | 0.4° | 0.0° |
| C04 | C05 | C06 | N22 | 0.0° | 0.0° |
| C04 | C05 | C06 | C20 | 179.9° | 179.9° |
| C04 | C05 | C06 | C07 | 179.8° | 180.0° |
| C04 | C05 | C20 | C21 | 0.2° | 0.0° |
| C04 | C05 | C20 | C09 | 179.9° | 179.7° |
| C05 | C04 | N03 | H031 | 179.9° | 180.0° |
| N22 | C06 | C05 | C07 | 179.8° | 180.0° |
| N22 | C06 | C05 | C20 | 179.8° | 179.9° |
| N22 | C06 | C07 | C08 | 179.3° | 180.0° |
| N22 | C06 | C07 | H071 | 0.7° | 0.1° |
| C05 | C06 | C07 | C08 | 0.6° | 0.0° |
| C06 | C05 | C20 | C21 | 179.7° | 180.0° |
| C06 | C05 | C20 | C09 | 0.1° | 0.2° |
| C05 | C06 | C07 | H071 | 179.5° | 179.9° |
| C07 | C06 | C05 | C20 | 0.0° | 0.0° |
| C06 | C07 | C08 | H071 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 1.2° | 0.4° |
| C06 | C07 | C08 | H081 | 178.8° | 180.0° |
| C05 | C20 | C21 | C09 | 179.8° | 179.7° |
| C05 | C20 | C09 | C08 | 0.7° | 0.6° |
| C05 | C20 | C09 | C10 | 179.0° | 179.8° |
| C05 | C20 | C21 | H213 | 90.1° | 89.7° |
| C05 | C20 | C21 | H211 | 149.9° | 30.2° |
| C05 | C20 | C21 | H212 | 29.9° | 150.3° |
| C07 | C08 | C09 | C20 | 1.3° | 0.7° |
| C07 | C08 | C09 | H081 | 180.0° | 179.6° |
| C07 | C08 | C09 | C10 | 179.6° | 179.7° |
| C21 | C20 | C09 | C08 | 179.0° | 179.7° |
| C21 | C20 | C09 | C10 | 0.8° | 0.0° |
| C20 | C21 | H213 | H211 | 120.0° | 120.0° |
| C20 | C21 | H213 | H212 | 120.0° | 120.0° |
| C20 | C21 | H211 | H212 | 120.0° | 120.1° |
| C20 | C09 | C08 | C10 | 178.3° | 179.6° |
| C20 | C09 | C10 | C11 | 114.0° | 114.8° |
| C20 | C09 | C10 | C19 | 64.8° | 65.0° |
| C09 | C20 | C21 | H213 | 90.1° | 90.0° |
| C09 | C20 | C21 | H211 | 29.9° | 150.0° |
| C09 | C20 | C21 | H212 | 149.9° | 30.0° |
| C20 | C09 | C08 | H081 | 178.7° | 179.7° |
| C08 | C09 | C10 | C11 | 64.3° | 65.6° |
| C08 | C09 | C10 | C19 | 116.9° | 114.7° |
| C09 | C08 | C07 | H071 | 178.8° | 179.7° |
| C12 | C11 | C10 | H111 | 180.0° | 179.9° |
| C12 | C11 | C10 | C09 | 179.1° | 179.7° |
| C11 | C12 | N13 | H121 | 180.0° | 179.9° |
| C12 | C11 | C10 | C19 | 0.3° | 0.0° |
| C11 | C12 | N13 | C14 | 0.1° | 0.1° |
| C11 | C10 | C09 | C19 | 178.8° | 179.7° |
| C10 | C11 | C12 | N13 | 0.6° | 0.1° |
| C11 | C10 | C19 | C14 | 0.5° | 0.0° |
| C11 | C10 | C19 | C18 | 179.8° | 179.9° |
| C10 | C11 | C12 | H121 | 179.4° | 180.0° |
| C09 | C10 | C19 | C14 | 178.2° | 179.7° |
| C09 | C10 | C19 | C18 | 1.0° | 0.2° |
| C09 | C10 | C11 | H111 | 0.9° | 0.3° |
| C10 | C09 | C08 | H081 | 0.4° | 0.1° |
| C12 | N13 | C14 | C19 | 0.7° | 0.0° |
| C12 | N13 | C14 | C15 | 180.0° | 180.0° |
| N13 | C12 | C11 | H111 | 179.4° | 180.0° |
| C10 | C19 | C14 | N13 | 1.0° | 0.0° |
| C10 | C19 | C14 | C18 | 179.3° | 179.9° |
| C10 | C19 | C14 | C15 | 179.7° | 180.0° |
| C10 | C19 | C18 | C17 | 179.7° | 180.0° |
| C19 | C10 | C11 | H111 | 179.7° | 180.0° |
| C10 | C19 | C18 | H181 | 0.3° | 0.1° |
| N13 | C14 | C19 | C15 | 179.3° | 180.0° |
| N13 | C14 | C19 | C18 | 179.7° | 179.9° |
| N13 | C14 | C15 | C16 | 179.5° | 180.0° |
| C14 | N13 | C12 | H121 | 179.9° | 180.0° |
| N13 | C14 | C15 | H151 | 0.5° | 0.1° |
| C14 | C19 | C18 | C17 | 0.4° | 0.1° |
| C19 | C14 | C15 | C16 | 0.2° | 0.0° |
| C19 | C14 | C15 | H151 | 179.8° | 179.9° |
| C14 | C19 | C18 | H181 | 179.6° | 180.0° |
| C18 | C19 | C14 | C15 | 0.4° | 0.1° |
| C19 | C18 | C17 | H181 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 0.3° | 0.0° |
| C19 | C18 | C17 | H171 | 179.7° | 179.9° |
| C14 | C15 | C16 | H151 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.0° | 0.1° |
| C14 | C15 | C16 | H161 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.1° | 0.1° |
| C18 | C17 | C16 | H171 | 180.0° | 179.9° |
| C18 | C17 | C16 | H161 | 179.9° | 180.0° |
| C15 | C16 | C17 | H161 | 180.0° | 179.9° |
| C15 | C16 | C17 | H171 | 179.9° | 180.0° |
| C17 | C16 | C15 | H151 | 180.0° | 180.0° |
| C16 | C17 | C18 | H181 | 179.7° | 179.9° |
| H213 | C21 | H211 | H212 | 120.0° | 120.0° |
| H111 | C11 | C12 | H121 | 0.6° | 0.1° |
| H151 | C15 | C16 | H161 | 0.0° | 0.1° |
| H161 | C16 | C17 | H171 | 0.1° | 0.0° |
| H171 | C17 | C18 | H181 | 0.3° | 0.0° |
| H013 | C01 | H011 | H012 | 120.0° | 120.0° |
| H071 | C07 | C08 | H081 | 1.2° | 0.1° |
