EUY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O26 | N25 | sing | 1.42Å | 1.44Å | |
N25 | C23 | sing | 1.35Å | 1.32Å | |
O24 | C23 | doub | 1.21Å | 1.26Å | |
C23 | C02 | sing | 1.51Å | 1.51Å | |
C01 | C02 | sing | 1.53Å | 1.53Å | |
C04 | N05 | sing | 1.47Å | 1.47Å | |
C04 | C03 | sing | 1.53Å | 1.53Å | |
C02 | C03 | sing | 1.53Å | 1.55Å | |
C02 | S27 | sing | 1.81Å | 1.87Å | |
C06 | N05 | sing | 1.36Å | 1.37Å | |
C06 | C07 | doub | 1.35Å | 1.34Å | |
N05 | C10 | sing | 1.35Å | 1.38Å | |
O29 | S27 | doub | 1.42Å | 1.58Å | |
S27 | C28 | sing | 1.81Å | 1.82Å | |
S27 | O30 | doub | 1.42Å | 1.57Å | |
O11 | C10 | doub | 1.22Å | 1.23Å | |
C07 | C08 | sing | 1.41Å | 1.43Å | |
C10 | C09 | sing | 1.40Å | 1.43Å | |
C08 | C09 | doub | 1.39Å | 1.35Å | |
C08 | C12 | sing | 1.48Å | 1.48Å | |
C13 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
C12 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
C15 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
C15 | N18 | sing | 1.40Å | 1.40Å | |
N19 | N18 | sing | 1.29Å | 1.36Å | Aromatic |
N19 | C20 | doub | 1.31Å | 1.32Å | Aromatic |
N18 | N22 | sing | 1.29Å | 1.36Å | Aromatic |
C20 | C21 | sing | 1.40Å | 1.41Å | Aromatic |
N22 | C21 | doub | 1.31Å | 1.32Å | Aromatic |
C13 | H1 | sing | 1.08Å | 1.08Å | |
C14 | H2 | sing | 1.08Å | 1.08Å | |
C16 | H3 | sing | 1.08Å | 1.08Å | |
C17 | H4 | sing | 1.08Å | 1.08Å | |
C01 | H5 | sing | 1.09Å | 1.10Å | |
C01 | H6 | sing | 1.09Å | 1.10Å | |
C01 | H7 | sing | 1.09Å | 1.10Å | |
C03 | H8 | sing | 1.09Å | 1.10Å | |
C03 | H9 | sing | 1.09Å | 1.10Å | |
C04 | H10 | sing | 1.09Å | 1.10Å | |
C04 | H11 | sing | 1.09Å | 1.10Å | |
C06 | H12 | sing | 1.08Å | 1.08Å | |
C07 | H13 | sing | 1.08Å | 1.08Å | |
C09 | H14 | sing | 1.08Å | 1.08Å | |
C20 | H15 | sing | 1.08Å | 1.08Å | |
C21 | H16 | sing | 1.08Å | 1.08Å | |
C28 | H17 | sing | 1.09Å | 1.10Å | |
C28 | H18 | sing | 1.09Å | 1.10Å | |
C28 | H19 | sing | 1.09Å | 1.10Å | |
N25 | H20 | sing | 0.97Å | 1.00Å | |
O26 | H21 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O26 | N25 | C23 | 112.0° | 120.0° |
O26 | N25 | H20 | 124.0° | 120.0° |
N25 | O26 | H21 | 109.5° | 114.0° |
N25 | C23 | O24 | 121.7° | 120.0° |
N25 | C23 | C02 | 113.7° | 120.0° |
C23 | N25 | H20 | 124.0° | 120.0° |
O24 | C23 | C02 | 124.5° | 119.9° |
C23 | C02 | C01 | 114.3° | 109.5° |
C23 | C02 | C03 | 112.5° | 109.5° |
C23 | C02 | S27 | 108.6° | 109.4° |
C01 | C02 | C03 | 113.9° | 109.5° |
C01 | C02 | S27 | 102.8° | 109.5° |
C02 | C01 | H5 | 109.5° | 109.5° |
C02 | C01 | H6 | 109.5° | 109.5° |
C02 | C01 | H7 | 109.5° | 109.5° |
N05 | C04 | C03 | 110.0° | 109.4° |
C04 | N05 | C06 | 118.4° | 119.4° |
C04 | N05 | C10 | 119.6° | 119.4° |
N05 | C04 | H10 | 109.3° | 109.5° |
N05 | C04 | H11 | 109.3° | 109.5° |
C04 | C03 | C02 | 114.9° | 109.4° |
C04 | C03 | H8 | 108.1° | 109.5° |
C04 | C03 | H9 | 108.1° | 109.4° |
C03 | C04 | H10 | 109.3° | 109.5° |
C03 | C04 | H11 | 109.3° | 109.5° |
C03 | C02 | S27 | 103.5° | 109.5° |
C02 | C03 | H8 | 108.1° | 109.5° |
C02 | C03 | H9 | 108.1° | 109.5° |
C02 | S27 | O29 | 107.1° | 108.6° |
C02 | S27 | C28 | 108.5° | 101.9° |
C02 | S27 | O30 | 108.9° | 108.6° |
N05 | C06 | C07 | 121.8° | 121.0° |
C06 | N05 | C10 | 121.9° | 121.2° |
N05 | C06 | H12 | 119.1° | 119.5° |
C06 | C07 | C08 | 118.7° | 119.8° |
C07 | C06 | H12 | 119.1° | 119.6° |
C06 | C07 | H13 | 120.7° | 120.1° |
N05 | C10 | O11 | 119.3° | 119.9° |
N05 | C10 | C09 | 116.9° | 120.2° |
O29 | S27 | C28 | 111.1° | 108.6° |
O29 | S27 | O30 | 113.6° | 119.2° |
C28 | S27 | O30 | 107.6° | 108.6° |
S27 | C28 | H17 | 109.5° | 109.5° |
S27 | C28 | H18 | 109.5° | 109.4° |
S27 | C28 | H19 | 109.5° | 109.4° |
O11 | C10 | C09 | 123.8° | 119.9° |
C07 | C08 | C09 | 119.9° | 118.8° |
C07 | C08 | C12 | 119.0° | 120.6° |
C08 | C07 | H13 | 120.7° | 120.1° |
C10 | C09 | C08 | 120.8° | 119.1° |
C10 | C09 | H14 | 119.6° | 120.5° |
C09 | C08 | C12 | 121.2° | 120.6° |
C08 | C09 | H14 | 119.6° | 120.4° |
C08 | C12 | C13 | 120.0° | 120.0° |
C08 | C12 | C17 | 120.7° | 120.1° |
C12 | C13 | C14 | 120.3° | 119.9° |
C13 | C12 | C17 | 119.2° | 119.9° |
C12 | C13 | H1 | 119.8° | 120.1° |
C13 | C14 | C15 | 120.5° | 120.1° |
C14 | C13 | H1 | 119.9° | 120.1° |
C13 | C14 | H2 | 119.8° | 119.9° |
C12 | C17 | C16 | 120.4° | 119.9° |
C12 | C17 | H4 | 119.8° | 120.0° |
C14 | C15 | C16 | 119.3° | 120.1° |
C14 | C15 | N18 | 119.3° | 120.0° |
C15 | C14 | H2 | 119.7° | 119.9° |
C17 | C16 | C15 | 120.2° | 120.0° |
C17 | C16 | H3 | 119.9° | 119.9° |
C16 | C17 | H4 | 119.8° | 120.0° |
C16 | C15 | N18 | 121.4° | 119.9° |
C15 | C16 | H3 | 119.9° | 120.0° |
C15 | N18 | N19 | 123.6° | 124.6° |
C15 | N18 | N22 | 122.8° | 124.6° |
N18 | N19 | C20 | 104.2° | 108.7° |
N19 | N18 | N22 | 113.6° | 110.8° |
N19 | C20 | C21 | 109.0° | 105.8° |
N19 | C20 | H15 | 125.5° | 127.1° |
N18 | N22 | C21 | 104.0° | 108.7° |
C20 | C21 | N22 | 109.3° | 105.9° |
C21 | C20 | H15 | 125.5° | 127.1° |
C20 | C21 | H16 | 125.4° | 127.0° |
N22 | C21 | H16 | 125.4° | 127.1° |
H5 | C01 | H6 | 109.5° | 109.4° |
H5 | C01 | H7 | 109.5° | 109.5° |
H6 | C01 | H7 | 109.5° | 109.5° |
H8 | C03 | H9 | 109.4° | 109.5° |
H10 | C04 | H11 | 109.4° | 109.5° |
H17 | C28 | H18 | 109.5° | 109.5° |
H17 | C28 | H19 | 109.5° | 109.5° |
H18 | C28 | H19 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O26 | N25 | C23 | H20 | 180.0° | 180.0° |
O26 | N25 | C23 | O24 | 0.7° | 0.1° |
O26 | N25 | C23 | C02 | 179.0° | 180.0° |
N25 | C23 | O24 | C02 | 179.7° | 179.9° |
N25 | C23 | C02 | C01 | 5.6° | 75.0° |
N25 | C23 | C02 | C03 | 126.3° | 165.0° |
N25 | C23 | C02 | S27 | 119.7° | 45.0° |
C23 | N25 | O26 | H21 | 0.3° | 180.0° |
O24 | C23 | C02 | C01 | 174.1° | 105.0° |
O24 | C23 | C02 | C03 | 54.0° | 15.0° |
O24 | C23 | C02 | S27 | 60.0° | 135.0° |
O24 | C23 | N25 | H20 | 179.4° | 180.0° |
C23 | C02 | C01 | C03 | 131.3° | 120.0° |
C23 | C02 | C01 | S27 | 117.5° | 120.0° |
C23 | C02 | C03 | C04 | 66.1° | 178.0° |
C23 | C02 | C03 | S27 | 117.0° | 120.0° |
C23 | C02 | S27 | O29 | 53.0° | 50.0° |
C23 | C02 | S27 | C28 | 67.0° | 64.5° |
C23 | C02 | S27 | O30 | 176.2° | 179.1° |
C23 | C02 | C01 | H5 | 180.0° | 179.9° |
C23 | C02 | C01 | H6 | 60.0° | 60.0° |
C23 | C02 | C01 | H7 | 60.0° | 60.1° |
C23 | C02 | C03 | H8 | 173.0° | 58.0° |
C23 | C02 | C03 | H9 | 54.6° | 62.1° |
C02 | C23 | N25 | H20 | 0.9° | 0.0° |
C01 | C02 | C03 | C04 | 66.1° | 57.9° |
C01 | C02 | C03 | S27 | 110.7° | 120.0° |
C01 | C02 | S27 | O29 | 68.5° | 70.0° |
C01 | C02 | S27 | C28 | 171.5° | 175.5° |
C01 | C02 | S27 | O30 | 54.7° | 61.0° |
C02 | C01 | H5 | H6 | 120.0° | 120.0° |
C02 | C01 | H5 | H7 | 120.0° | 120.0° |
C02 | C01 | H6 | H7 | 120.0° | 120.0° |
C01 | C02 | C03 | H8 | 54.8° | 62.1° |
C01 | C02 | C03 | H9 | 173.2° | 177.9° |
N05 | C04 | C03 | H10 | 120.1° | 120.0° |
N05 | C04 | C03 | H11 | 120.1° | 120.0° |
N05 | C04 | C03 | C02 | 177.3° | 174.4° |
C04 | N05 | C06 | C10 | 178.2° | 179.9° |
C04 | N05 | C06 | C07 | 179.0° | 180.0° |
C04 | N05 | C10 | O11 | 2.1° | 0.3° |
C04 | N05 | C10 | C09 | 179.2° | 180.0° |
N05 | C04 | C03 | H8 | 56.5° | 54.4° |
N05 | C04 | C03 | H9 | 61.9° | 65.6° |
N05 | C04 | H10 | H11 | 119.7° | 120.0° |
C04 | N05 | C06 | H12 | 1.0° | 0.0° |
C04 | C03 | C02 | H8 | 120.8° | 120.0° |
C04 | C03 | C02 | H9 | 120.8° | 120.0° |
C04 | C03 | C02 | S27 | 176.8° | 62.1° |
C03 | C04 | N05 | C06 | 84.2° | 90.1° |
C03 | C04 | N05 | C10 | 94.0° | 90.0° |
C04 | C03 | H8 | H9 | 117.5° | 120.0° |
C03 | C04 | H10 | H11 | 119.7° | 120.0° |
C03 | C02 | S27 | O29 | 172.8° | 169.9° |
C03 | C02 | S27 | C28 | 52.8° | 55.5° |
C03 | C02 | S27 | O30 | 64.0° | 59.1° |
C03 | C02 | C01 | H5 | 48.7° | 60.0° |
C03 | C02 | C01 | H6 | 168.7° | 180.0° |
C03 | C02 | C01 | H7 | 71.3° | 60.0° |
C02 | C03 | H8 | H9 | 117.6° | 120.0° |
C02 | C03 | C04 | H10 | 62.6° | 65.6° |
C02 | C03 | C04 | H11 | 57.2° | 54.4° |
C02 | S27 | O29 | C28 | 118.3° | 110.1° |
C02 | S27 | O29 | O30 | 120.3° | 124.9° |
C02 | S27 | C28 | O30 | 117.7° | 114.5° |
S27 | C02 | C01 | H5 | 62.5° | 60.0° |
S27 | C02 | C01 | H6 | 57.5° | 60.0° |
S27 | C02 | C01 | H7 | 177.5° | 180.0° |
S27 | C02 | C03 | H8 | 56.0° | 177.9° |
S27 | C02 | C03 | H9 | 62.4° | 57.9° |
C02 | S27 | C28 | H17 | 180.0° | 60.0° |
C02 | S27 | C28 | H18 | 60.0° | 180.0° |
C02 | S27 | C28 | H19 | 60.0° | 60.0° |
N05 | C06 | C07 | H12 | 180.0° | 180.0° |
C06 | N05 | C10 | O11 | 179.8° | 179.8° |
N05 | C06 | C07 | C08 | 0.4° | 0.0° |
C06 | N05 | C10 | C09 | 1.1° | 0.1° |
C06 | N05 | C04 | H10 | 35.9° | 29.9° |
C06 | N05 | C04 | H11 | 155.7° | 150.0° |
N05 | C06 | C07 | H13 | 179.6° | 180.0° |
C07 | C06 | N05 | C10 | 0.8° | 0.0° |
C06 | C07 | C08 | H13 | 180.0° | 180.0° |
C06 | C07 | C08 | C09 | 0.2° | 0.1° |
C06 | C07 | C08 | C12 | 179.3° | 180.0° |
N05 | C10 | O11 | C09 | 178.6° | 179.7° |
N05 | C10 | C09 | C08 | 1.0° | 0.0° |
C10 | N05 | C04 | H10 | 145.9° | 150.0° |
C10 | N05 | C04 | H11 | 26.1° | 29.9° |
C10 | N05 | C06 | H12 | 179.2° | 179.9° |
N05 | C10 | C09 | H14 | 179.0° | 180.0° |
O29 | S27 | C28 | O30 | 124.9° | 131.0° |
O29 | S27 | C28 | H17 | 62.6° | 54.5° |
O29 | S27 | C28 | H18 | 177.4° | 65.5° |
O29 | S27 | C28 | H19 | 57.5° | 174.4° |
S27 | C28 | H17 | H18 | 120.0° | 120.0° |
S27 | C28 | H17 | H19 | 120.0° | 119.9° |
S27 | C28 | H18 | H19 | 120.0° | 120.0° |
O30 | S27 | C28 | H17 | 62.3° | 174.5° |
O30 | S27 | C28 | H18 | 57.7° | 65.5° |
O30 | S27 | C28 | H19 | 177.7° | 54.5° |
O11 | C10 | C09 | C08 | 179.6° | 179.7° |
O11 | C10 | C09 | H14 | 0.4° | 0.3° |
C07 | C08 | C09 | C10 | 0.6° | 0.1° |
C07 | C08 | C09 | C12 | 179.1° | 179.9° |
C07 | C08 | C12 | C13 | 35.3° | 65.3° |
C07 | C08 | C12 | C17 | 145.3° | 115.0° |
C08 | C07 | C06 | H12 | 179.6° | 180.0° |
C07 | C08 | C09 | H14 | 179.4° | 179.9° |
C10 | C09 | C08 | H14 | 180.0° | 180.0° |
C10 | C09 | C08 | C12 | 179.6° | 180.0° |
C09 | C08 | C12 | C13 | 143.7° | 114.6° |
C09 | C08 | C12 | C17 | 35.6° | 65.1° |
C09 | C08 | C07 | H13 | 179.7° | 179.9° |
C08 | C12 | C13 | C17 | 179.4° | 179.7° |
C08 | C12 | C13 | C14 | 179.3° | 179.7° |
C08 | C12 | C17 | C16 | 179.9° | 179.8° |
C08 | C12 | C13 | H1 | 0.8° | 0.3° |
C08 | C12 | C17 | H4 | 0.1° | 0.3° |
C12 | C08 | C07 | H13 | 0.7° | 0.0° |
C12 | C08 | C09 | H14 | 0.4° | 0.0° |
C12 | C13 | C14 | H1 | 180.0° | 179.9° |
C12 | C13 | C14 | C15 | 1.1° | 0.0° |
C13 | C12 | C17 | C16 | 0.7° | 0.0° |
C12 | C13 | C14 | H2 | 178.9° | 180.0° |
C13 | C12 | C17 | H4 | 179.3° | 180.0° |
C14 | C13 | C12 | C17 | 0.1° | 0.0° |
C13 | C14 | C15 | H2 | 180.0° | 180.0° |
C13 | C14 | C15 | C16 | 1.2° | 0.0° |
C13 | C14 | C15 | N18 | 179.8° | 180.0° |
C12 | C17 | C16 | H4 | 180.0° | 180.0° |
C12 | C17 | C16 | C15 | 0.6° | 0.0° |
C17 | C12 | C13 | H1 | 179.9° | 180.0° |
C12 | C17 | C16 | H3 | 179.3° | 180.0° |
C14 | C15 | C16 | C17 | 0.3° | 0.0° |
C14 | C15 | C16 | N18 | 178.5° | 180.0° |
C14 | C15 | N18 | N19 | 1.5° | 0.5° |
C14 | C15 | N18 | N22 | 178.8° | 180.0° |
C15 | C14 | C13 | H1 | 178.9° | 179.9° |
C14 | C15 | C16 | H3 | 179.7° | 180.0° |
C17 | C16 | C15 | H3 | 180.0° | 180.0° |
C17 | C16 | C15 | N18 | 178.9° | 180.0° |
C16 | C15 | N18 | N19 | 177.0° | 179.5° |
C16 | C15 | N18 | N22 | 2.6° | 0.0° |
C16 | C15 | C14 | H2 | 178.8° | 180.0° |
C15 | C16 | C17 | H4 | 179.4° | 180.0° |
C15 | N18 | N19 | N22 | 179.7° | 179.6° |
C15 | N18 | N19 | C20 | 179.5° | 179.9° |
C15 | N18 | N22 | C21 | 179.6° | 180.0° |
N18 | C15 | C14 | H2 | 0.2° | 0.0° |
N18 | C15 | C16 | H3 | 1.2° | 0.0° |
N18 | N19 | C20 | C21 | 0.3° | 0.0° |
N19 | N18 | N22 | C21 | 0.1° | 0.4° |
N18 | N19 | C20 | H15 | 179.7° | 179.8° |
C20 | N19 | N18 | N22 | 0.2° | 0.3° |
N19 | C20 | C21 | H15 | 180.0° | 179.8° |
N19 | C20 | C21 | N22 | 0.2° | 0.2° |
N19 | C20 | C21 | H16 | 179.8° | 179.8° |
N18 | N22 | C21 | C20 | 0.1° | 0.4° |
N18 | N22 | C21 | H16 | 179.9° | 179.6° |
C20 | C21 | N22 | H16 | 180.0° | 180.0° |
N22 | C21 | C20 | H15 | 179.8° | 180.0° |
H1 | C13 | C14 | H2 | 1.1° | 0.0° |
H3 | C16 | C17 | H4 | 0.7° | 0.0° |
H5 | C01 | H6 | H7 | 120.0° | 120.0° |
H8 | C03 | C04 | H10 | 176.6° | 174.4° |
H8 | C03 | C04 | H11 | 63.6° | 65.6° |
H9 | C03 | C04 | H10 | 58.3° | 54.4° |
H9 | C03 | C04 | H11 | 178.0° | 174.4° |
H12 | C06 | C07 | H13 | 0.4° | 0.0° |
H15 | C20 | C21 | H16 | 0.2° | 0.0° |
H17 | C28 | H18 | H19 | 120.0° | 120.0° |
H20 | N25 | O26 | H21 | 179.7° | 0.0° |