V0Y
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O23 | C24 | sing | 1.43Å | 1.42Å | |
O23 | C19 | sing | 1.36Å | 1.35Å | |
N15 | C14 | trip | 1.14Å | 1.18Å | |
C20 | C19 | doub | 1.39Å | 1.33Å | Aromatic |
C20 | C21 | sing | 1.38Å | 1.37Å | Aromatic |
C14 | C10 | sing | 1.43Å | 1.31Å | |
C19 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
F13 | C11 | sing | 1.35Å | 1.35Å | |
C21 | C16 | doub | 1.40Å | 1.37Å | Aromatic |
C10 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
C10 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
C18 | F22 | sing | 1.35Å | 1.37Å | |
C18 | C17 | doub | 1.38Å | 1.42Å | Aromatic |
C12 | C7 | doub | 1.40Å | 1.41Å | Aromatic |
C8 | C7 | sing | 1.40Å | 1.41Å | Aromatic |
C16 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
C16 | C5 | sing | 1.48Å | 1.54Å | |
C7 | C6 | sing | 1.48Å | 1.50Å | |
C5 | C6 | doub | 1.40Å | 1.45Å | |
C5 | C4 | sing | 1.42Å | 1.38Å | |
C6 | N1 | sing | 1.34Å | 1.37Å | |
O25 | C4 | doub | 1.22Å | 1.25Å | |
C4 | N3 | sing | 1.35Å | 1.41Å | |
N1 | C2 | doub | 1.32Å | 1.36Å | |
N3 | C2 | sing | 1.36Å | 1.41Å | |
N3 | C26 | sing | 1.46Å | 1.46Å | |
C2 | N27 | sing | 1.37Å | 1.44Å | |
C32 | N27 | sing | 1.47Å | 1.39Å | |
C32 | C31 | sing | 1.53Å | 1.53Å | |
N27 | C28 | sing | 1.47Å | 1.41Å | |
C31 | C30 | sing | 1.53Å | 1.51Å | |
C28 | C29 | sing | 1.53Å | 1.53Å | |
C30 | C29 | sing | 1.53Å | 1.52Å | |
C30 | N33 | sing | 1.47Å | 1.34Å | |
C12 | H1 | sing | 1.08Å | 1.08Å | |
C9 | H2 | sing | 1.08Å | 1.08Å | |
C8 | H3 | sing | 1.08Å | 1.08Å | |
C17 | H4 | sing | 1.08Å | 1.08Å | |
C24 | H5 | sing | 1.09Å | 1.10Å | |
C24 | H6 | sing | 1.09Å | 1.10Å | |
C24 | H7 | sing | 1.09Å | 1.10Å | |
C20 | H8 | sing | 1.08Å | 1.08Å | |
C21 | H9 | sing | 1.08Å | 1.08Å | |
C26 | H10 | sing | 1.09Å | 1.10Å | |
C26 | H11 | sing | 1.09Å | 1.10Å | |
C26 | H12 | sing | 1.09Å | 1.10Å | |
C28 | H13 | sing | 1.09Å | 1.10Å | |
C28 | H14 | sing | 1.09Å | 1.10Å | |
C29 | H15 | sing | 1.09Å | 1.10Å | |
C29 | H16 | sing | 1.09Å | 1.10Å | |
C30 | H17 | sing | 1.09Å | 1.10Å | |
N33 | H18 | sing | 1.01Å | 1.00Å | |
N33 | H19 | sing | 1.01Å | 1.00Å | |
C31 | H21 | sing | 1.09Å | 1.10Å | |
C31 | H22 | sing | 1.09Å | 1.10Å | |
C32 | H23 | sing | 1.09Å | 1.10Å | |
C32 | H24 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C24 | O23 | C19 | 114.2° | 117.0° |
O23 | C24 | H5 | 109.5° | 109.5° |
O23 | C24 | H6 | 109.4° | 109.5° |
O23 | C24 | H7 | 109.5° | 109.5° |
O23 | C19 | C20 | 113.6° | 119.9° |
O23 | C19 | C18 | 126.9° | 119.9° |
N15 | C14 | C10 | 171.9° | 180.0° |
C19 | C20 | C21 | 121.6° | 120.1° |
C20 | C19 | C18 | 119.5° | 120.2° |
C19 | C20 | H8 | 119.2° | 119.9° |
C20 | C21 | C16 | 123.6° | 120.0° |
C21 | C20 | H8 | 119.2° | 120.0° |
C20 | C21 | H9 | 118.2° | 120.1° |
C14 | C10 | C11 | 116.5° | 120.0° |
C14 | C10 | C9 | 123.3° | 120.0° |
C19 | C18 | F22 | 120.2° | 120.0° |
C19 | C18 | C17 | 118.0° | 120.1° |
F13 | C11 | C10 | 113.7° | 120.0° |
F13 | C11 | C12 | 123.5° | 120.1° |
C21 | C16 | C17 | 114.4° | 119.8° |
C21 | C16 | C5 | 117.2° | 120.1° |
C16 | C21 | H9 | 118.2° | 120.0° |
C11 | C10 | C9 | 120.1° | 119.9° |
C10 | C11 | C12 | 122.6° | 119.9° |
C10 | C9 | C8 | 118.2° | 120.1° |
C10 | C9 | H2 | 120.9° | 120.0° |
C11 | C12 | C7 | 117.5° | 120.0° |
C11 | C12 | H1 | 121.3° | 120.0° |
C9 | C8 | C7 | 121.9° | 120.0° |
C8 | C9 | H2 | 120.9° | 119.9° |
C9 | C8 | H3 | 119.0° | 120.0° |
F22 | C18 | C17 | 121.7° | 119.9° |
C18 | C17 | C16 | 122.9° | 119.8° |
C18 | C17 | H4 | 118.6° | 120.1° |
C12 | C7 | C8 | 119.5° | 120.0° |
C12 | C7 | C6 | 127.6° | 120.0° |
C7 | C12 | H1 | 121.3° | 120.0° |
C8 | C7 | C6 | 112.7° | 120.0° |
C7 | C8 | H3 | 119.0° | 119.9° |
C17 | C16 | C5 | 128.4° | 120.0° |
C16 | C17 | H4 | 118.6° | 120.1° |
C16 | C5 | C6 | 124.6° | 120.8° |
C16 | C5 | C4 | 119.5° | 120.8° |
C7 | C6 | C5 | 124.4° | 120.2° |
C7 | C6 | N1 | 112.1° | 120.2° |
C6 | C5 | C4 | 115.9° | 118.4° |
C5 | C6 | N1 | 123.2° | 119.6° |
C5 | C4 | O25 | 119.5° | 120.7° |
C5 | C4 | N3 | 119.9° | 118.7° |
C6 | N1 | C2 | 120.3° | 121.4° |
O25 | C4 | N3 | 120.6° | 120.7° |
C4 | N3 | C2 | 122.5° | 120.3° |
C4 | N3 | C26 | 120.0° | 119.9° |
N1 | C2 | N3 | 118.1° | 121.7° |
N1 | C2 | N27 | 125.8° | 119.1° |
C2 | N3 | C26 | 117.4° | 119.8° |
N3 | C2 | N27 | 116.0° | 119.1° |
N3 | C26 | H10 | 109.5° | 109.5° |
N3 | C26 | H11 | 109.5° | 109.5° |
N3 | C26 | H12 | 109.5° | 109.5° |
C2 | N27 | C32 | 116.9° | 120.6° |
C2 | N27 | C28 | 121.3° | 120.6° |
N27 | C32 | C31 | 111.2° | 109.0° |
C32 | N27 | C28 | 109.9° | 118.7° |
N27 | C32 | H23 | 109.0° | 109.6° |
N27 | C32 | H24 | 109.1° | 109.6° |
C32 | C31 | C30 | 114.2° | 109.4° |
C32 | C31 | H21 | 108.2° | 109.6° |
C32 | C31 | H22 | 108.3° | 109.4° |
C31 | C32 | H23 | 109.0° | 109.5° |
C31 | C32 | H24 | 109.0° | 109.4° |
N27 | C28 | C29 | 110.4° | 108.8° |
N27 | C28 | H13 | 109.2° | 109.6° |
N27 | C28 | H14 | 109.2° | 109.6° |
C31 | C30 | C29 | 110.7° | 109.5° |
C31 | C30 | N33 | 109.7° | 109.4° |
C31 | C30 | H17 | 106.9° | 109.5° |
C30 | C31 | H21 | 108.3° | 109.5° |
C30 | C31 | H22 | 108.3° | 109.5° |
C28 | C29 | C30 | 112.7° | 109.3° |
C29 | C28 | H13 | 109.2° | 109.6° |
C29 | C28 | H14 | 109.3° | 109.6° |
C28 | C29 | H15 | 108.7° | 109.5° |
C28 | C29 | H16 | 108.7° | 109.5° |
C29 | C30 | N33 | 113.3° | 109.4° |
C30 | C29 | H15 | 108.7° | 109.5° |
C30 | C29 | H16 | 108.6° | 109.5° |
C29 | C30 | H17 | 106.8° | 109.5° |
N33 | C30 | H17 | 109.2° | 109.5° |
C30 | N33 | H18 | 109.5° | 111.0° |
C30 | N33 | H19 | 109.5° | 111.0° |
H5 | C24 | H6 | 109.4° | 109.5° |
H5 | C24 | H7 | 109.4° | 109.4° |
H6 | C24 | H7 | 109.5° | 109.5° |
H10 | C26 | H11 | 109.4° | 109.5° |
H10 | C26 | H12 | 109.5° | 109.4° |
H11 | C26 | H12 | 109.5° | 109.5° |
H13 | C28 | H14 | 109.5° | 109.7° |
H15 | C29 | H16 | 109.5° | 109.6° |
H18 | N33 | H19 | 109.4° | 111.0° |
H21 | C31 | H22 | 109.5° | 109.4° |
H23 | C32 | H24 | 109.5° | 109.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C24 | O23 | C19 | C20 | 134.2° | 0.0° |
C24 | O23 | C19 | C18 | 44.0° | 180.0° |
O23 | C24 | H5 | H6 | 120.0° | 120.1° |
O23 | C24 | H5 | H7 | 120.0° | 119.9° |
O23 | C24 | H6 | H7 | 120.0° | 120.0° |
O23 | C19 | C20 | C18 | 178.4° | 179.9° |
O23 | C19 | C20 | C21 | 180.0° | 179.7° |
O23 | C19 | C18 | F22 | 1.1° | 0.0° |
O23 | C19 | C18 | C17 | 179.9° | 180.0° |
C19 | O23 | C24 | H5 | 180.0° | 179.9° |
C19 | O23 | C24 | H6 | 60.0° | 60.0° |
C19 | O23 | C24 | H7 | 60.0° | 60.0° |
O23 | C19 | C20 | H8 | 0.0° | 0.0° |
N15 | C14 | C10 | C11 | 74.9° | 155.5° |
N15 | C14 | C10 | C9 | 100.9° | 24.8° |
C19 | C20 | C21 | H8 | 180.0° | 179.8° |
C19 | C20 | C21 | C16 | 0.3° | 0.4° |
C20 | C19 | C18 | F22 | 179.3° | 180.0° |
C20 | C19 | C18 | C17 | 1.9° | 0.0° |
C19 | C20 | C21 | H9 | 179.7° | 180.0° |
C21 | C20 | C19 | C18 | 1.6° | 0.2° |
C20 | C21 | C16 | H9 | 180.0° | 179.6° |
C20 | C21 | C16 | C17 | 1.6° | 0.4° |
C20 | C21 | C16 | C5 | 176.5° | 179.8° |
C14 | C10 | C11 | F13 | 4.7° | 0.0° |
C14 | C10 | C11 | C9 | 176.0° | 179.7° |
C14 | C10 | C11 | C12 | 179.8° | 180.0° |
C14 | C10 | C9 | C8 | 176.4° | 180.0° |
C14 | C10 | C9 | H2 | 3.6° | 0.0° |
C19 | C18 | F22 | C17 | 178.8° | 180.0° |
C19 | C18 | C17 | C16 | 0.5° | 0.0° |
C19 | C18 | C17 | H4 | 179.5° | 180.0° |
C18 | C19 | C20 | H8 | 178.4° | 180.0° |
F13 | C11 | C10 | C12 | 175.6° | 179.9° |
F13 | C11 | C10 | C9 | 179.4° | 179.7° |
F13 | C11 | C12 | C7 | 178.1° | 179.9° |
F13 | C11 | C12 | H1 | 1.9° | 0.1° |
C21 | C16 | C17 | C18 | 1.2° | 0.2° |
C21 | C16 | C17 | C5 | 177.8° | 179.8° |
C21 | C16 | C5 | C6 | 66.8° | 66.9° |
C21 | C16 | C5 | C4 | 114.0° | 113.0° |
C21 | C16 | C17 | H4 | 178.8° | 179.8° |
C16 | C21 | C20 | H8 | 179.7° | 179.8° |
C11 | C10 | C9 | C8 | 0.7° | 0.2° |
C10 | C11 | C12 | C7 | 3.0° | 0.0° |
C10 | C11 | C12 | H1 | 177.0° | 180.0° |
C11 | C10 | C9 | H2 | 179.3° | 179.8° |
C9 | C10 | C11 | C12 | 3.8° | 0.3° |
C10 | C9 | C8 | H2 | 180.0° | 180.0° |
C10 | C9 | C8 | C7 | 3.0° | 0.0° |
C10 | C9 | C8 | H3 | 177.0° | 180.0° |
C11 | C12 | C7 | H1 | 180.0° | 180.0° |
C11 | C12 | C7 | C8 | 0.8° | 0.3° |
C11 | C12 | C7 | C6 | 175.2° | 180.0° |
C9 | C8 | C7 | C12 | 3.8° | 0.3° |
C9 | C8 | C7 | H3 | 180.0° | 180.0° |
C9 | C8 | C7 | C6 | 179.0° | 180.0° |
F22 | C18 | C17 | C16 | 179.4° | 180.0° |
F22 | C18 | C17 | H4 | 0.6° | 0.0° |
C18 | C17 | C16 | H4 | 180.0° | 179.9° |
C18 | C17 | C16 | C5 | 176.6° | 180.0° |
C12 | C7 | C8 | C6 | 175.2° | 179.8° |
C12 | C7 | C6 | C5 | 36.4° | 48.5° |
C12 | C7 | C6 | N1 | 149.5° | 131.1° |
C12 | C7 | C8 | H3 | 176.2° | 179.7° |
C8 | C7 | C6 | C5 | 138.3° | 131.8° |
C8 | C7 | C6 | N1 | 35.8° | 48.6° |
C8 | C7 | C12 | H1 | 179.2° | 179.7° |
C7 | C8 | C9 | H2 | 176.9° | 180.0° |
C17 | C16 | C5 | C6 | 111.0° | 113.2° |
C17 | C16 | C5 | C4 | 68.3° | 66.8° |
C17 | C16 | C21 | H9 | 178.4° | 180.0° |
C16 | C5 | C6 | C7 | 5.3° | 0.1° |
C16 | C5 | C6 | C4 | 179.3° | 179.9° |
C16 | C5 | C6 | N1 | 178.7° | 179.7° |
C16 | C5 | C4 | O25 | 2.4° | 0.1° |
C16 | C5 | C4 | N3 | 179.2° | 180.0° |
C5 | C16 | C17 | H4 | 3.4° | 0.1° |
C5 | C16 | C21 | H9 | 3.5° | 0.2° |
C7 | C6 | C5 | N1 | 173.4° | 179.6° |
C7 | C6 | C5 | C4 | 175.4° | 180.0° |
C7 | C6 | N1 | C2 | 178.0° | 180.0° |
C6 | C7 | C12 | H1 | 4.8° | 0.0° |
C6 | C7 | C8 | H3 | 1.0° | 0.1° |
C6 | C5 | C4 | O25 | 176.9° | 180.0° |
C6 | C5 | C4 | N3 | 1.5° | 0.1° |
C5 | C6 | N1 | C2 | 3.8° | 0.3° |
C4 | C5 | C6 | N1 | 2.0° | 0.4° |
C5 | C4 | O25 | N3 | 178.3° | 179.9° |
C5 | C4 | N3 | C2 | 2.9° | 0.3° |
C5 | C4 | N3 | C26 | 179.7° | 180.0° |
C6 | N1 | C2 | N3 | 4.9° | 0.0° |
C6 | N1 | C2 | N27 | 179.2° | 180.0° |
O25 | C4 | N3 | C2 | 175.5° | 179.7° |
O25 | C4 | N3 | C26 | 1.3° | 0.0° |
C4 | N3 | C2 | N1 | 4.5° | 0.3° |
C4 | N3 | C2 | C26 | 176.9° | 179.7° |
C4 | N3 | C2 | N27 | 179.2° | 179.7° |
C4 | N3 | C26 | H10 | 180.0° | 5.0° |
C4 | N3 | C26 | H11 | 60.0° | 115.1° |
C4 | N3 | C26 | H12 | 60.0° | 124.9° |
N1 | C2 | N3 | N27 | 176.3° | 180.0° |
N1 | C2 | N3 | C26 | 178.6° | 180.0° |
N1 | C2 | N27 | C32 | 15.1° | 94.1° |
N1 | C2 | N27 | C28 | 124.0° | 85.6° |
N3 | C2 | N27 | C32 | 160.8° | 85.9° |
N3 | C2 | N27 | C28 | 60.0° | 94.4° |
C2 | N3 | C26 | H10 | 3.0° | 175.3° |
C2 | N3 | C26 | H11 | 117.0° | 64.6° |
C2 | N3 | C26 | H12 | 123.1° | 55.4° |
C26 | N3 | C2 | N27 | 2.3° | 0.0° |
N3 | C26 | H10 | H11 | 120.0° | 120.1° |
N3 | C26 | H10 | H12 | 120.0° | 120.0° |
N3 | C26 | H11 | H12 | 120.0° | 120.0° |
C2 | N27 | C32 | C28 | 143.5° | 179.7° |
C2 | N27 | C32 | C31 | 152.4° | 126.4° |
C2 | N27 | C28 | C29 | 151.9° | 126.4° |
C2 | N27 | C28 | H13 | 88.0° | 113.9° |
C2 | N27 | C28 | H14 | 31.7° | 6.6° |
C2 | N27 | C32 | H23 | 32.2° | 6.5° |
C2 | N27 | C32 | H24 | 87.3° | 113.9° |
N27 | C32 | C31 | H23 | 120.2° | 119.9° |
N27 | C32 | C31 | H24 | 120.3° | 119.8° |
N27 | C32 | C31 | C30 | 51.6° | 54.4° |
C32 | N27 | C28 | C29 | 66.4° | 53.4° |
C32 | N27 | C28 | H13 | 53.7° | 66.4° |
C32 | N27 | C28 | H14 | 173.4° | 173.1° |
N27 | C32 | C31 | H21 | 69.1° | 174.5° |
N27 | C32 | C31 | H22 | 172.3° | 65.6° |
N27 | C32 | H23 | H24 | 119.2° | 120.3° |
C31 | C32 | N27 | C28 | 64.0° | 53.3° |
C32 | C31 | C30 | H21 | 120.7° | 120.1° |
C32 | C31 | C30 | H22 | 120.7° | 119.9° |
C32 | C31 | C30 | C29 | 40.1° | 61.3° |
C32 | C31 | C30 | N33 | 165.9° | 178.7° |
C32 | C31 | C30 | H17 | 75.9° | 58.8° |
C32 | C31 | H21 | H22 | 117.8° | 120.0° |
C31 | C32 | H23 | H24 | 119.2° | 120.1° |
N27 | C28 | C29 | H13 | 120.1° | 119.8° |
N27 | C28 | C29 | H14 | 120.1° | 119.8° |
N27 | C28 | C29 | C30 | 55.3° | 54.7° |
N27 | C28 | H13 | H14 | 119.5° | 120.4° |
N27 | C28 | C29 | H15 | 175.8° | 174.5° |
N27 | C28 | C29 | H16 | 65.1° | 65.3° |
C28 | N27 | C32 | H23 | 175.7° | 173.2° |
C28 | N27 | C32 | H24 | 56.2° | 66.4° |
C31 | C30 | C29 | C28 | 42.0° | 61.4° |
C31 | C30 | C29 | N33 | 123.7° | 120.0° |
C31 | C30 | C29 | H17 | 116.1° | 120.1° |
C31 | C30 | N33 | H17 | 116.9° | 120.0° |
C31 | C30 | C29 | H15 | 162.5° | 178.7° |
C31 | C30 | C29 | H16 | 78.5° | 58.5° |
C31 | C30 | N33 | H18 | 180.0° | 60.0° |
C31 | C30 | N33 | H19 | 60.0° | 176.2° |
C30 | C31 | H21 | H22 | 117.8° | 120.0° |
C30 | C31 | C32 | H23 | 171.9° | 174.3° |
C30 | C31 | C32 | H24 | 68.7° | 65.4° |
C28 | C29 | C30 | H15 | 120.5° | 119.9° |
C28 | C29 | C30 | H16 | 120.5° | 119.9° |
C28 | C29 | C30 | N33 | 165.6° | 178.6° |
C29 | C28 | H13 | H14 | 119.6° | 120.3° |
C28 | C29 | H15 | H16 | 118.6° | 120.1° |
C28 | C29 | C30 | H17 | 74.1° | 58.7° |
C29 | C30 | N33 | H17 | 118.9° | 120.0° |
C30 | C29 | C28 | H13 | 64.8° | 65.2° |
C30 | C29 | C28 | H14 | 175.5° | 174.4° |
C30 | C29 | H15 | H16 | 118.5° | 120.1° |
C29 | C30 | N33 | H18 | 55.8° | 180.0° |
C29 | C30 | N33 | H19 | 64.2° | 56.1° |
C29 | C30 | C31 | H21 | 80.6° | 178.6° |
C29 | C30 | C31 | H22 | 160.8° | 58.6° |
N33 | C30 | C29 | H15 | 73.9° | 58.7° |
N33 | C30 | C29 | H16 | 45.2° | 61.4° |
C30 | N33 | H18 | H19 | 120.0° | 123.9° |
N33 | C30 | C31 | H21 | 45.2° | 58.7° |
N33 | C30 | C31 | H22 | 73.4° | 61.3° |
H2 | C9 | C8 | H3 | 3.0° | 0.1° |
H5 | C24 | H6 | H7 | 120.0° | 120.0° |
H8 | C20 | C21 | H9 | 0.2° | 0.2° |
H10 | C26 | H11 | H12 | 120.0° | 119.9° |
H13 | C28 | C29 | H15 | 55.7° | 54.7° |
H13 | C28 | C29 | H16 | 174.8° | 174.9° |
H14 | C28 | C29 | H15 | 64.0° | 65.7° |
H14 | C28 | C29 | H16 | 55.0° | 54.5° |
H15 | C29 | C30 | H17 | 46.4° | 61.3° |
H16 | C29 | C30 | H17 | 165.4° | 178.6° |
H17 | C30 | N33 | H18 | 63.1° | 60.0° |
H17 | C30 | N33 | H19 | 176.9° | 63.9° |
H17 | C30 | C31 | H21 | 163.4° | 61.3° |
H17 | C30 | C31 | H22 | 44.8° | 178.7° |
H21 | C31 | C32 | H23 | 51.2° | 65.6° |
H21 | C31 | C32 | H24 | 170.6° | 54.7° |
H22 | C31 | C32 | H23 | 67.4° | 54.4° |
H22 | C31 | C32 | H24 | 52.0° | 174.6° |