V0A
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C27 | C26 | sing | 1.50Å | 1.50Å | |
C27 | N06 | doub | 1.29Å | 1.48Å | |
O04 | C26 | doub | 1.21Å | 1.28Å | |
C26 | C25 | sing | 1.48Å | 1.46Å | |
N06 | C28 | sing | 1.34Å | 1.36Å | |
C28 | C25 | sing | 1.48Å | 1.49Å | |
C28 | O05 | doub | 1.22Å | 1.28Å | |
C25 | C24 | doub | 1.39Å | 1.50Å | |
C24 | O03 | sing | 1.35Å | 1.33Å | |
C24 | C23 | sing | 1.41Å | 1.48Å | |
C23 | C22 | doub | 1.36Å | 1.33Å | |
C22 | C20 | sing | 1.46Å | 1.48Å | |
C20 | C21 | sing | 1.51Å | 1.50Å | |
C20 | C18 | doub | 1.33Å | 1.35Å | |
C18 | C12 | sing | 1.51Å | 1.53Å | |
C17 | C12 | sing | 1.53Å | 1.53Å | |
C12 | C09 | sing | 1.53Å | 1.53Å | |
C09 | O02 | sing | 1.43Å | 1.42Å | |
C09 | C07 | sing | 1.53Å | 1.54Å | |
O02 | C10 | sing | 1.44Å | 1.42Å | |
C16 | C10 | sing | 1.53Å | 1.52Å | |
C07 | C14 | sing | 1.53Å | 1.52Å | |
C07 | C08 | sing | 1.52Å | 1.52Å | |
C10 | O01 | sing | 1.43Å | 1.43Å | |
C10 | C13 | sing | 1.51Å | 1.51Å | |
O01 | C08 | sing | 1.43Å | 1.42Å | |
C08 | C11 | sing | 1.52Å | 1.53Å | |
C19 | C13 | sing | 1.51Å | 1.50Å | |
C13 | C15 | doub | 1.30Å | 1.34Å | |
C15 | C11 | sing | 1.50Å | 1.51Å | |
C07 | H1 | sing | 1.09Å | 1.10Å | |
C08 | H2 | sing | 1.09Å | 1.10Å | |
C09 | H3 | sing | 1.09Å | 1.10Å | |
C11 | H4 | sing | 1.09Å | 1.10Å | |
C11 | H5 | sing | 1.09Å | 1.10Å | |
C12 | H6 | sing | 1.09Å | 1.10Å | |
C14 | H7 | sing | 1.09Å | 1.10Å | |
C14 | H8 | sing | 1.09Å | 1.10Å | |
C14 | H9 | sing | 1.09Å | 1.10Å | |
C15 | H10 | sing | 1.08Å | 1.08Å | |
C16 | H11 | sing | 1.09Å | 1.10Å | |
C16 | H12 | sing | 1.09Å | 1.10Å | |
C16 | H13 | sing | 1.09Å | 1.10Å | |
C17 | H14 | sing | 1.09Å | 1.10Å | |
C17 | H15 | sing | 1.09Å | 1.10Å | |
C17 | H16 | sing | 1.09Å | 1.10Å | |
C18 | H17 | sing | 1.08Å | 1.08Å | |
C19 | H18 | sing | 1.09Å | 1.10Å | |
C19 | H19 | sing | 1.09Å | 1.10Å | |
C19 | H20 | sing | 1.09Å | 1.10Å | |
C21 | H21 | sing | 1.09Å | 1.10Å | |
C21 | H22 | sing | 1.09Å | 1.10Å | |
C21 | H23 | sing | 1.09Å | 1.10Å | |
C22 | H24 | sing | 1.08Å | 1.08Å | |
C23 | H25 | sing | 1.08Å | 1.08Å | |
C27 | H27 | sing | 1.08Å | 1.08Å | |
O03 | H28 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C26 | C27 | N06 | 100.5° | 109.3° |
C27 | C26 | O04 | 121.9° | 127.9° |
C27 | C26 | C25 | 116.2° | 104.2° |
C26 | C27 | H27 | 129.7° | 125.4° |
C27 | N06 | C28 | 109.6° | 113.5° |
N06 | C27 | H27 | 129.8° | 125.3° |
O04 | C26 | C25 | 121.9° | 127.9° |
C26 | C25 | C28 | 97.6° | 104.0° |
C26 | C25 | C24 | 131.2° | 128.0° |
N06 | C28 | C25 | 115.9° | 108.9° |
N06 | C28 | O05 | 121.4° | 125.6° |
C25 | C28 | O05 | 122.5° | 125.5° |
C28 | C25 | C24 | 131.0° | 128.0° |
C25 | C24 | O03 | 121.0° | 120.0° |
C25 | C24 | C23 | 118.6° | 120.0° |
O03 | C24 | C23 | 120.4° | 120.0° |
C24 | O03 | H28 | 109.5° | 114.0° |
C24 | C23 | C22 | 123.7° | 120.0° |
C24 | C23 | H25 | 118.2° | 120.0° |
C23 | C22 | C20 | 118.7° | 120.0° |
C23 | C22 | H24 | 120.6° | 120.0° |
C22 | C23 | H25 | 118.2° | 120.0° |
C22 | C20 | C21 | 117.3° | 120.0° |
C22 | C20 | C18 | 118.1° | 120.1° |
C20 | C22 | H24 | 120.6° | 120.0° |
C21 | C20 | C18 | 124.5° | 120.0° |
C20 | C21 | H21 | 109.5° | 109.4° |
C20 | C21 | H22 | 109.5° | 109.5° |
C20 | C21 | H23 | 109.5° | 109.5° |
C20 | C18 | C12 | 132.2° | 120.1° |
C20 | C18 | H17 | 113.9° | 120.0° |
C18 | C12 | C17 | 112.3° | 109.5° |
C18 | C12 | C09 | 112.4° | 109.5° |
C18 | C12 | H6 | 107.0° | 109.4° |
C12 | C18 | H17 | 113.9° | 120.0° |
C17 | C12 | C09 | 110.8° | 109.5° |
C17 | C12 | H6 | 107.0° | 109.5° |
C12 | C17 | H14 | 109.5° | 109.5° |
C12 | C17 | H15 | 109.5° | 109.5° |
C12 | C17 | H16 | 109.4° | 109.5° |
C12 | C09 | O02 | 107.8° | 109.6° |
C12 | C09 | C07 | 110.6° | 109.6° |
C12 | C09 | H3 | 106.5° | 109.7° |
C09 | C12 | H6 | 107.0° | 109.5° |
O02 | C09 | C07 | 117.2° | 108.9° |
C09 | O02 | C10 | 119.3° | 112.1° |
O02 | C09 | H3 | 107.8° | 109.6° |
C09 | C07 | C14 | 108.4° | 109.4° |
C09 | C07 | C08 | 116.9° | 110.2° |
C09 | C07 | H1 | 107.9° | 109.2° |
C07 | C09 | H3 | 106.5° | 109.6° |
O02 | C10 | C16 | 105.1° | 111.1° |
O02 | C10 | O01 | 112.8° | 107.9° |
O02 | C10 | C13 | 106.4° | 107.6° |
C16 | C10 | O01 | 108.6° | 110.5° |
C16 | C10 | C13 | 112.3° | 110.5° |
C10 | C16 | H11 | 109.5° | 109.5° |
C10 | C16 | H12 | 109.5° | 109.5° |
C10 | C16 | H13 | 109.4° | 109.5° |
C14 | C07 | C08 | 107.2° | 109.3° |
C14 | C07 | H1 | 108.1° | 109.3° |
C07 | C14 | H7 | 109.5° | 109.5° |
C07 | C14 | H8 | 109.4° | 109.5° |
C07 | C14 | H9 | 109.5° | 109.5° |
C07 | C08 | O01 | 108.9° | 110.4° |
C07 | C08 | C11 | 113.5° | 111.3° |
C08 | C07 | H1 | 108.0° | 109.4° |
C07 | C08 | H2 | 107.5° | 108.7° |
O01 | C10 | C13 | 111.6° | 109.1° |
C10 | O01 | C08 | 112.2° | 112.8° |
C10 | C13 | C19 | 120.6° | 118.9° |
C10 | C13 | C15 | 120.6° | 122.3° |
O01 | C08 | C11 | 110.4° | 109.6° |
O01 | C08 | H2 | 108.9° | 107.9° |
C08 | C11 | C15 | 112.4° | 110.7° |
C11 | C08 | H2 | 107.5° | 108.8° |
C08 | C11 | H4 | 108.7° | 109.2° |
C08 | C11 | H5 | 108.7° | 109.3° |
C19 | C13 | C15 | 118.8° | 118.9° |
C13 | C19 | H18 | 109.5° | 109.5° |
C13 | C19 | H19 | 109.5° | 109.5° |
C13 | C19 | H20 | 109.5° | 109.4° |
C13 | C15 | C11 | 121.7° | 123.1° |
C13 | C15 | H10 | 119.1° | 118.5° |
C15 | C11 | H4 | 108.7° | 109.2° |
C15 | C11 | H5 | 108.7° | 109.2° |
C11 | C15 | H10 | 119.2° | 118.4° |
H4 | C11 | H5 | 109.5° | 109.2° |
H7 | C14 | H8 | 109.5° | 109.5° |
H7 | C14 | H9 | 109.5° | 109.5° |
H8 | C14 | H9 | 109.5° | 109.5° |
H11 | C16 | H12 | 109.5° | 109.4° |
H11 | C16 | H13 | 109.5° | 109.5° |
H12 | C16 | H13 | 109.5° | 109.5° |
H14 | C17 | H15 | 109.5° | 109.5° |
H14 | C17 | H16 | 109.5° | 109.4° |
H15 | C17 | H16 | 109.5° | 109.4° |
H18 | C19 | H19 | 109.4° | 109.5° |
H18 | C19 | H20 | 109.5° | 109.5° |
H19 | C19 | H20 | 109.4° | 109.5° |
H21 | C21 | H22 | 109.5° | 109.5° |
H21 | C21 | H23 | 109.5° | 109.5° |
H22 | C21 | H23 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C26 | C27 | N06 | H27 | 180.0° | 180.0° |
C27 | C26 | O04 | C25 | 178.2° | 179.9° |
C26 | C27 | N06 | C28 | 1.0° | 0.3° |
C27 | C26 | C25 | C28 | 2.9° | 0.3° |
C27 | C26 | C25 | C24 | 177.2° | 180.0° |
N06 | C27 | C26 | O04 | 179.7° | 180.0° |
N06 | C27 | C26 | C25 | 1.4° | 0.0° |
C27 | N06 | C28 | C25 | 3.1° | 0.5° |
C27 | N06 | C28 | O05 | 178.8° | 179.7° |
O04 | C26 | C25 | C28 | 178.8° | 179.7° |
O04 | C26 | C25 | C24 | 4.5° | 0.1° |
O04 | C26 | C27 | H27 | 0.3° | 0.0° |
C26 | C25 | C28 | N06 | 3.6° | 0.5° |
C26 | C25 | C28 | C24 | 174.3° | 179.7° |
C26 | C25 | C28 | O05 | 179.2° | 179.7° |
C26 | C25 | C24 | O03 | 9.1° | 0.0° |
C26 | C25 | C24 | C23 | 170.4° | 179.9° |
C25 | C26 | C27 | H27 | 178.6° | 179.9° |
N06 | C28 | C25 | O05 | 175.6° | 179.8° |
N06 | C28 | C25 | C24 | 178.0° | 179.8° |
C28 | N06 | C27 | H27 | 179.0° | 179.7° |
C28 | C25 | C24 | O03 | 163.4° | 179.6° |
C28 | C25 | C24 | C23 | 17.1° | 0.3° |
O05 | C28 | C25 | C24 | 6.5° | 0.1° |
C25 | C24 | O03 | C23 | 179.5° | 179.9° |
C25 | C24 | C23 | C22 | 166.6° | 180.0° |
C25 | C24 | C23 | H25 | 13.4° | 0.0° |
C25 | C24 | O03 | H28 | 180.0° | 0.0° |
O03 | C24 | C23 | C22 | 12.9° | 0.1° |
O03 | C24 | C23 | H25 | 167.1° | 180.0° |
C24 | C23 | C22 | H25 | 180.0° | 179.9° |
C24 | C23 | C22 | C20 | 178.2° | 180.0° |
C24 | C23 | C22 | H24 | 1.8° | 0.1° |
C23 | C24 | O03 | H28 | 0.5° | 180.0° |
C23 | C22 | C20 | H24 | 180.0° | 180.0° |
C23 | C22 | C20 | C21 | 11.5° | 0.0° |
C23 | C22 | C20 | C18 | 170.3° | 180.0° |
C22 | C20 | C21 | C18 | 178.1° | 180.0° |
C22 | C20 | C18 | C12 | 178.8° | 173.7° |
C22 | C20 | C18 | H17 | 1.2° | 6.3° |
C22 | C20 | C21 | H21 | 180.0° | 95.2° |
C22 | C20 | C21 | H22 | 60.0° | 24.8° |
C22 | C20 | C21 | H23 | 60.0° | 144.9° |
C20 | C22 | C23 | H25 | 1.8° | 0.0° |
C21 | C20 | C18 | C12 | 0.7° | 6.3° |
C21 | C20 | C18 | H17 | 179.3° | 173.7° |
C20 | C21 | H21 | H22 | 120.0° | 120.0° |
C20 | C21 | H21 | H23 | 120.0° | 120.0° |
C20 | C21 | H22 | H23 | 120.0° | 120.0° |
C21 | C20 | C22 | H24 | 168.5° | 180.0° |
C20 | C18 | C12 | H17 | 180.0° | 180.0° |
C20 | C18 | C12 | C17 | 59.7° | 114.3° |
C20 | C18 | C12 | C09 | 66.0° | 125.7° |
C20 | C18 | C12 | H6 | 176.9° | 5.7° |
C18 | C20 | C21 | H21 | 1.9° | 84.8° |
C18 | C20 | C21 | H22 | 121.9° | 155.2° |
C18 | C20 | C21 | H23 | 118.1° | 35.2° |
C18 | C20 | C22 | H24 | 9.7° | 0.1° |
C18 | C12 | C17 | C09 | 126.6° | 120.0° |
C18 | C12 | C17 | H6 | 117.2° | 119.9° |
C18 | C12 | C09 | H6 | 117.1° | 120.0° |
C18 | C12 | C09 | O02 | 3.9° | 56.5° |
C18 | C12 | C09 | C07 | 133.2° | 62.9° |
C18 | C12 | C09 | H3 | 111.5° | 176.8° |
C18 | C12 | C17 | H14 | 180.0° | 175.4° |
C18 | C12 | C17 | H15 | 60.0° | 55.3° |
C18 | C12 | C17 | H16 | 60.0° | 64.6° |
C17 | C12 | C09 | H6 | 116.3° | 120.0° |
C17 | C12 | C09 | O02 | 130.5° | 63.5° |
C17 | C12 | C09 | C07 | 100.2° | 177.1° |
C17 | C12 | C09 | H3 | 15.0° | 56.8° |
C12 | C17 | H14 | H15 | 120.0° | 120.0° |
C12 | C17 | H14 | H16 | 120.0° | 120.0° |
C12 | C17 | H15 | H16 | 120.0° | 120.0° |
C17 | C12 | C18 | H17 | 120.3° | 65.7° |
C12 | C09 | O02 | C07 | 125.4° | 119.8° |
C12 | C09 | O02 | H3 | 114.6° | 120.4° |
C12 | C09 | C07 | H3 | 115.3° | 120.4° |
C12 | C09 | O02 | C10 | 130.5° | 179.9° |
C12 | C09 | C07 | C14 | 111.4° | 68.4° |
C12 | C09 | C07 | C08 | 127.4° | 171.4° |
C12 | C09 | C07 | H1 | 5.5° | 51.2° |
C09 | C12 | C17 | H14 | 53.4° | 64.6° |
C09 | C12 | C17 | H15 | 173.4° | 175.4° |
C09 | C12 | C17 | H16 | 66.6° | 55.4° |
C09 | C12 | C18 | H17 | 114.0° | 54.3° |
O02 | C09 | C07 | H3 | 120.7° | 119.8° |
C09 | O02 | C10 | C16 | 152.2° | 174.2° |
O02 | C09 | C07 | C14 | 124.5° | 171.8° |
O02 | C09 | C07 | C08 | 3.3° | 51.6° |
C09 | O02 | C10 | O01 | 34.1° | 64.5° |
C09 | O02 | C10 | C13 | 88.5° | 53.1° |
O02 | C09 | C07 | H1 | 118.6° | 68.6° |
O02 | C09 | C12 | H6 | 113.2° | 176.5° |
C07 | C09 | O02 | C10 | 5.1° | 60.0° |
C09 | C07 | C14 | C08 | 127.1° | 120.7° |
C09 | C07 | C14 | H1 | 116.7° | 119.6° |
C09 | C07 | C08 | H1 | 121.8° | 120.1° |
C09 | C07 | C08 | O01 | 29.9° | 50.0° |
C09 | C07 | C08 | C11 | 93.5° | 72.1° |
C09 | C07 | C08 | H2 | 147.7° | 168.1° |
C07 | C09 | C12 | H6 | 16.1° | 57.1° |
C09 | C07 | C14 | H7 | 180.0° | 171.6° |
C09 | C07 | C14 | H8 | 60.0° | 68.4° |
C09 | C07 | C14 | H9 | 60.0° | 51.6° |
O02 | C10 | C16 | O01 | 120.9° | 119.7° |
O02 | C10 | C16 | C13 | 115.2° | 119.4° |
O02 | C10 | O01 | C13 | 119.7° | 116.6° |
O02 | C10 | O01 | C08 | 64.9° | 62.2° |
O02 | C10 | C13 | C19 | 77.0° | 84.4° |
O02 | C10 | C13 | C15 | 101.5° | 95.6° |
C10 | O02 | C09 | H3 | 114.9° | 59.8° |
O02 | C10 | C16 | H11 | 180.0° | 179.7° |
O02 | C10 | C16 | H12 | 60.0° | 60.3° |
O02 | C10 | C16 | H13 | 60.0° | 59.7° |
C16 | C10 | O01 | C13 | 124.3° | 121.7° |
C16 | C10 | O01 | C08 | 179.1° | 176.2° |
C16 | C10 | C13 | C19 | 37.4° | 37.0° |
C16 | C10 | C13 | C15 | 144.1° | 143.0° |
C10 | C16 | H11 | H12 | 120.0° | 120.0° |
C10 | C16 | H11 | H13 | 120.0° | 120.0° |
C10 | C16 | H12 | H13 | 120.0° | 120.0° |
C14 | C07 | C08 | H1 | 116.3° | 119.7° |
C14 | C07 | C08 | O01 | 151.8° | 170.2° |
C14 | C07 | C08 | C11 | 28.4° | 48.2° |
C14 | C07 | C08 | H2 | 90.4° | 71.6° |
C14 | C07 | C09 | H3 | 3.9° | 52.0° |
C07 | C14 | H7 | H8 | 120.0° | 120.0° |
C07 | C14 | H7 | H9 | 120.0° | 120.0° |
C07 | C14 | H8 | H9 | 120.0° | 120.0° |
C07 | C08 | O01 | C10 | 60.6° | 56.3° |
C07 | C08 | O01 | C11 | 125.3° | 123.1° |
C07 | C08 | O01 | H2 | 117.0° | 118.7° |
C07 | C08 | C11 | H2 | 118.8° | 119.8° |
C07 | C08 | C11 | C15 | 82.6° | 80.8° |
C08 | C07 | C09 | H3 | 117.4° | 68.2° |
C07 | C08 | C11 | H4 | 156.9° | 158.9° |
C07 | C08 | C11 | H5 | 37.8° | 39.5° |
C08 | C07 | C14 | H7 | 52.9° | 50.9° |
C08 | C07 | C14 | H8 | 172.9° | 170.9° |
C08 | C07 | C14 | H9 | 67.1° | 69.2° |
C10 | O01 | C08 | C11 | 64.7° | 66.7° |
O01 | C10 | C13 | C19 | 159.7° | 158.8° |
O01 | C10 | C13 | C15 | 21.9° | 21.2° |
C10 | O01 | C08 | H2 | 177.6° | 175.0° |
O01 | C10 | C16 | H11 | 59.1° | 60.0° |
O01 | C10 | C16 | H12 | 179.2° | 180.0° |
O01 | C10 | C16 | H13 | 60.9° | 60.0° |
C13 | C10 | O01 | C08 | 54.8° | 54.4° |
C10 | C13 | C19 | C15 | 178.5° | 180.0° |
C10 | C13 | C15 | C11 | 0.3° | 1.1° |
C10 | C13 | C15 | H10 | 179.6° | 178.9° |
C13 | C10 | C16 | H11 | 64.8° | 60.9° |
C13 | C10 | C16 | H12 | 55.2° | 59.1° |
C13 | C10 | C16 | H13 | 175.2° | 179.1° |
C10 | C13 | C19 | H18 | 180.0° | 90.0° |
C10 | C13 | C19 | H19 | 60.0° | 150.0° |
C10 | C13 | C19 | H20 | 60.0° | 30.0° |
O01 | C08 | C11 | H2 | 118.6° | 117.7° |
O01 | C08 | C11 | C15 | 39.9° | 41.7° |
O01 | C08 | C07 | H1 | 91.9° | 70.1° |
O01 | C08 | C11 | H4 | 80.5° | 78.6° |
O01 | C08 | C11 | H5 | 160.4° | 162.0° |
C08 | C11 | C15 | C13 | 9.3° | 11.2° |
C08 | C11 | C15 | H4 | 120.5° | 120.3° |
C08 | C11 | C15 | H5 | 120.4° | 120.4° |
C11 | C08 | C07 | H1 | 144.7° | 167.8° |
C08 | C11 | H4 | H5 | 118.6° | 119.4° |
C08 | C11 | C15 | H10 | 170.7° | 168.8° |
C19 | C13 | C15 | C11 | 178.8° | 178.9° |
C19 | C13 | C15 | H10 | 1.1° | 1.1° |
C13 | C19 | H18 | H19 | 120.0° | 120.0° |
C13 | C19 | H18 | H20 | 120.0° | 120.0° |
C13 | C19 | H19 | H20 | 120.0° | 120.0° |
C13 | C15 | C11 | H10 | 180.0° | 180.0° |
C13 | C15 | C11 | H4 | 111.2° | 109.1° |
C13 | C15 | C11 | H5 | 129.7° | 131.6° |
C15 | C13 | C19 | H18 | 1.5° | 90.0° |
C15 | C13 | C19 | H19 | 118.5° | 30.0° |
C15 | C13 | C19 | H20 | 121.5° | 150.0° |
C15 | C11 | C08 | H2 | 158.6° | 159.4° |
C15 | C11 | H4 | H5 | 118.7° | 119.4° |
H1 | C07 | C08 | H2 | 25.9° | 48.0° |
H1 | C07 | C09 | H3 | 120.7° | 171.6° |
H1 | C07 | C14 | H7 | 63.3° | 68.8° |
H1 | C07 | C14 | H8 | 56.7° | 51.2° |
H1 | C07 | C14 | H9 | 176.7° | 171.2° |
H2 | C08 | C11 | H4 | 38.1° | 39.1° |
H2 | C08 | C11 | H5 | 81.0° | 80.3° |
H3 | C09 | C12 | H6 | 131.3° | 63.2° |
H4 | C11 | C15 | H10 | 68.8° | 70.9° |
H5 | C11 | C15 | H10 | 50.3° | 48.4° |
H6 | C12 | C17 | H14 | 62.9° | 55.5° |
H6 | C12 | C17 | H15 | 57.2° | 64.6° |
H6 | C12 | C17 | H16 | 177.2° | 175.4° |
H6 | C12 | C18 | H17 | 3.1° | 174.3° |
H7 | C14 | H8 | H9 | 120.1° | 120.0° |
H11 | C16 | H12 | H13 | 120.0° | 120.0° |
H14 | C17 | H15 | H16 | 120.0° | 120.0° |
H18 | C19 | H19 | H20 | 120.0° | 120.1° |
H21 | C21 | H22 | H23 | 120.0° | 120.0° |
H24 | C22 | C23 | H25 | 178.2° | 180.0° |