OO7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N26 | C27 | sing | 1.34Å | 1.35Å | Aromatic |
N26 | C24 | doub | 1.31Å | 1.32Å | Aromatic |
C25 | C24 | sing | 1.51Å | 1.51Å | |
C27 | C28 | doub | 1.35Å | 1.35Å | Aromatic |
C24 | C23 | sing | 1.41Å | 1.41Å | Aromatic |
F3 | C2 | sing | 1.40Å | 1.38Å | |
C28 | N29 | sing | 1.37Å | 1.38Å | Aromatic |
O18 | C17 | doub | 1.22Å | 1.21Å | |
C23 | N29 | sing | 1.38Å | 1.38Å | Aromatic |
C23 | N22 | doub | 1.32Å | 1.31Å | Aromatic |
N29 | C20 | sing | 1.36Å | 1.36Å | Aromatic |
O5 | C2 | sing | 1.43Å | 1.41Å | |
O5 | C6 | sing | 1.36Å | 1.36Å | |
N22 | C21 | sing | 1.34Å | 1.34Å | Aromatic |
C2 | F4 | sing | 1.40Å | 1.38Å | |
C2 | F1 | sing | 1.40Å | 1.39Å | |
C17 | N19 | sing | 1.35Å | 1.35Å | |
C17 | N16 | sing | 1.35Å | 1.35Å | |
C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
C20 | N19 | sing | 1.39Å | 1.40Å | |
C15 | N16 | sing | 1.46Å | 1.45Å | |
C15 | C14 | sing | 1.51Å | 1.52Å | |
C21 | C30 | sing | 1.48Å | 1.48Å | |
C31 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
C6 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
C30 | C35 | sing | 1.39Å | 1.40Å | Aromatic |
C14 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
C35 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
C13 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
C33 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
C9 | C10 | sing | 1.51Å | 1.52Å | |
C10 | O11 | sing | 1.43Å | 1.42Å | |
O11 | C12 | sing | 1.43Å | 1.42Å | |
C7 | H1 | sing | 1.08Å | 1.08Å | |
C8 | H2 | sing | 1.08Å | 1.08Å | |
C12 | H3 | sing | 1.09Å | 1.10Å | |
C12 | H4 | sing | 1.09Å | 1.10Å | |
C12 | H5 | sing | 1.09Å | 1.10Å | |
C15 | H6 | sing | 1.09Å | 1.10Å | |
C15 | H7 | sing | 1.09Å | 1.10Å | |
C27 | H8 | sing | 1.08Å | 1.08Å | |
C31 | H9 | sing | 1.08Å | 1.08Å | |
C32 | H10 | sing | 1.08Å | 1.08Å | |
C33 | H11 | sing | 1.08Å | 1.08Å | |
C34 | H12 | sing | 1.08Å | 1.08Å | |
C35 | H13 | sing | 1.08Å | 1.08Å | |
C10 | H14 | sing | 1.09Å | 1.10Å | |
C10 | H15 | sing | 1.09Å | 1.10Å | |
C13 | H16 | sing | 1.08Å | 1.08Å | |
N16 | H17 | sing | 0.97Å | 1.00Å | |
N19 | H18 | sing | 0.97Å | 1.00Å | |
C25 | H19 | sing | 1.09Å | 1.10Å | |
C25 | H20 | sing | 1.09Å | 1.10Å | |
C25 | H21 | sing | 1.09Å | 1.10Å | |
C28 | H22 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C27 | N26 | C24 | 122.7° | 121.5° |
N26 | C27 | C28 | 120.6° | 121.3° |
N26 | C27 | H8 | 119.7° | 119.4° |
N26 | C24 | C25 | 121.1° | 120.2° |
N26 | C24 | C23 | 118.8° | 119.7° |
C25 | C24 | C23 | 120.0° | 120.1° |
C24 | C25 | H19 | 109.5° | 109.5° |
C24 | C25 | H20 | 109.5° | 109.4° |
C24 | C25 | H21 | 109.4° | 109.5° |
C27 | C28 | N29 | 119.2° | 119.7° |
C28 | C27 | H8 | 119.7° | 119.4° |
C27 | C28 | H22 | 120.4° | 120.1° |
C24 | C23 | N29 | 118.7° | 118.7° |
C24 | C23 | N22 | 132.7° | 132.8° |
F3 | C2 | O5 | 107.7° | 109.4° |
F3 | C2 | F4 | 109.6° | 109.4° |
F3 | C2 | F1 | 110.0° | 109.5° |
C28 | N29 | C23 | 119.9° | 119.1° |
C28 | N29 | C20 | 133.0° | 133.5° |
N29 | C28 | H22 | 120.4° | 120.2° |
O18 | C17 | N19 | 121.4° | 120.0° |
O18 | C17 | N16 | 121.6° | 120.0° |
N29 | C23 | N22 | 108.5° | 108.5° |
C23 | N29 | C20 | 107.1° | 107.4° |
C23 | N22 | C21 | 109.8° | 109.3° |
N29 | C20 | C21 | 106.8° | 106.8° |
N29 | C20 | N19 | 124.4° | 126.6° |
C2 | O5 | C6 | 118.7° | 117.0° |
O5 | C2 | F4 | 108.6° | 109.5° |
O5 | C2 | F1 | 109.8° | 109.5° |
O5 | C6 | C14 | 119.4° | 120.0° |
O5 | C6 | C7 | 120.3° | 120.0° |
N22 | C21 | C20 | 107.8° | 108.0° |
N22 | C21 | C30 | 123.6° | 125.9° |
F4 | C2 | F1 | 111.0° | 109.5° |
N19 | C17 | N16 | 117.1° | 120.0° |
C17 | N19 | C20 | 125.7° | 120.0° |
C17 | N19 | H18 | 117.2° | 120.0° |
C17 | N16 | C15 | 126.1° | 120.0° |
C17 | N16 | H17 | 117.0° | 120.0° |
C21 | C20 | N19 | 128.8° | 126.6° |
C20 | C21 | C30 | 128.5° | 126.0° |
C20 | N19 | H18 | 117.2° | 120.0° |
N16 | C15 | C14 | 112.7° | 109.5° |
N16 | C15 | H6 | 108.7° | 109.5° |
N16 | C15 | H7 | 108.7° | 109.5° |
C15 | N16 | H17 | 116.9° | 120.0° |
C15 | C14 | C6 | 117.0° | 120.1° |
C15 | C14 | C13 | 124.0° | 120.0° |
C14 | C15 | H6 | 108.7° | 109.5° |
C14 | C15 | H7 | 108.7° | 109.4° |
C21 | C30 | C31 | 120.1° | 120.1° |
C21 | C30 | C35 | 120.3° | 120.1° |
C30 | C31 | C32 | 119.8° | 119.9° |
C31 | C30 | C35 | 119.3° | 119.7° |
C30 | C31 | H9 | 120.1° | 120.0° |
C31 | C32 | C33 | 120.2° | 120.1° |
C32 | C31 | H9 | 120.1° | 120.1° |
C31 | C32 | H10 | 119.9° | 120.0° |
C14 | C6 | C7 | 120.2° | 119.9° |
C6 | C14 | C13 | 119.0° | 119.9° |
C6 | C7 | C8 | 120.7° | 119.9° |
C6 | C7 | H1 | 119.6° | 120.0° |
C30 | C35 | C34 | 120.2° | 119.9° |
C30 | C35 | H13 | 119.9° | 120.0° |
C14 | C13 | C9 | 120.6° | 120.0° |
C14 | C13 | H16 | 119.7° | 120.0° |
C32 | C33 | C34 | 120.4° | 120.2° |
C33 | C32 | H10 | 119.9° | 119.9° |
C32 | C33 | H11 | 119.8° | 119.9° |
C7 | C8 | C9 | 119.7° | 120.1° |
C8 | C7 | H1 | 119.7° | 120.1° |
C7 | C8 | H2 | 120.1° | 119.9° |
C35 | C34 | C33 | 119.9° | 120.1° |
C35 | C34 | H12 | 120.0° | 120.0° |
C34 | C35 | H13 | 119.9° | 120.1° |
C13 | C9 | C8 | 119.9° | 120.1° |
C13 | C9 | C10 | 121.6° | 119.9° |
C9 | C13 | H16 | 119.7° | 119.9° |
C34 | C33 | H11 | 119.8° | 119.9° |
C33 | C34 | H12 | 120.0° | 119.9° |
C8 | C9 | C10 | 118.6° | 119.9° |
C9 | C8 | H2 | 120.2° | 120.0° |
C9 | C10 | O11 | 111.7° | 109.4° |
C9 | C10 | H14 | 108.9° | 109.5° |
C9 | C10 | H15 | 108.9° | 109.5° |
C10 | O11 | C12 | 113.9° | 114.0° |
O11 | C10 | H14 | 108.9° | 109.4° |
O11 | C10 | H15 | 108.9° | 109.5° |
O11 | C12 | H3 | 109.5° | 109.5° |
O11 | C12 | H4 | 109.5° | 109.5° |
O11 | C12 | H5 | 109.4° | 109.5° |
H3 | C12 | H4 | 109.5° | 109.5° |
H3 | C12 | H5 | 109.5° | 109.4° |
H4 | C12 | H5 | 109.5° | 109.4° |
H6 | C15 | H7 | 109.5° | 109.4° |
H14 | C10 | H15 | 109.5° | 109.5° |
H19 | C25 | H20 | 109.5° | 109.4° |
H19 | C25 | H21 | 109.5° | 109.5° |
H20 | C25 | H21 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C27 | N26 | C24 | C25 | 179.6° | 180.0° |
N26 | C27 | C28 | H8 | 180.0° | 179.5° |
C27 | N26 | C24 | C23 | 1.4° | 0.0° |
N26 | C27 | C28 | N29 | 0.3° | 0.4° |
N26 | C27 | C28 | H22 | 179.7° | 179.6° |
N26 | C24 | C25 | C23 | 178.2° | 180.0° |
C24 | N26 | C27 | C28 | 0.8° | 0.2° |
N26 | C24 | C23 | N29 | 0.9° | 0.0° |
N26 | C24 | C23 | N22 | 179.1° | 179.7° |
C24 | N26 | C27 | H8 | 179.2° | 179.8° |
N26 | C24 | C25 | H19 | 0.0° | 90.0° |
N26 | C24 | C25 | H20 | 120.0° | 30.0° |
N26 | C24 | C25 | H21 | 120.0° | 150.0° |
C25 | C24 | C23 | N29 | 179.1° | 180.0° |
C25 | C24 | C23 | N22 | 0.9° | 0.2° |
C24 | C25 | H19 | H20 | 120.0° | 119.9° |
C24 | C25 | H19 | H21 | 120.0° | 120.0° |
C24 | C25 | H20 | H21 | 120.0° | 120.0° |
C27 | C28 | N29 | H22 | 180.0° | 180.0° |
C27 | C28 | N29 | C23 | 0.7° | 0.4° |
C27 | C28 | N29 | C20 | 179.7° | 179.8° |
C24 | C23 | N29 | C28 | 0.1° | 0.2° |
C24 | C23 | N29 | N22 | 180.0° | 179.8° |
C24 | C23 | N29 | C20 | 179.8° | 180.0° |
C24 | C23 | N22 | C21 | 179.9° | 179.7° |
C23 | C24 | C25 | H19 | 178.2° | 90.0° |
C23 | C24 | C25 | H20 | 61.8° | 150.0° |
C23 | C24 | C25 | H21 | 58.2° | 30.0° |
F3 | C2 | O5 | F4 | 118.7° | 119.9° |
F3 | C2 | O5 | F1 | 119.7° | 120.0° |
F3 | C2 | O5 | C6 | 165.4° | 180.0° |
F3 | C2 | F4 | F1 | 121.7° | 120.0° |
C28 | N29 | C23 | C20 | 179.7° | 179.8° |
C28 | N29 | C23 | N22 | 179.8° | 180.0° |
C28 | N29 | C20 | C21 | 179.9° | 179.9° |
C28 | N29 | C20 | N19 | 2.0° | 0.1° |
N29 | C28 | C27 | H8 | 179.7° | 179.9° |
O18 | C17 | N19 | N16 | 179.9° | 180.0° |
O18 | C17 | N19 | C20 | 0.8° | 6.4° |
O18 | C17 | N16 | C15 | 0.8° | 0.0° |
O18 | C17 | N16 | H17 | 179.2° | 180.0° |
O18 | C17 | N19 | H18 | 179.2° | 173.7° |
N29 | C23 | N22 | C21 | 0.0° | 0.0° |
C23 | N29 | C20 | C21 | 0.3° | 0.3° |
C23 | N29 | C20 | N19 | 178.4° | 179.7° |
C23 | N29 | C28 | H22 | 179.3° | 179.6° |
N22 | C23 | N29 | C20 | 0.2° | 0.2° |
C23 | N22 | C21 | C20 | 0.2° | 0.3° |
C23 | N22 | C21 | C30 | 176.9° | 179.9° |
N29 | C20 | C21 | N22 | 0.3° | 0.4° |
N29 | C20 | N19 | C17 | 108.1° | 28.8° |
N29 | C20 | C21 | N19 | 178.1° | 179.9° |
N29 | C20 | C21 | C30 | 176.6° | 179.9° |
N29 | C20 | N19 | H18 | 71.9° | 151.2° |
C20 | N29 | C28 | H22 | 0.3° | 0.2° |
O5 | C2 | F4 | F1 | 120.8° | 120.1° |
C2 | O5 | C6 | C14 | 105.9° | 180.0° |
C2 | O5 | C6 | C7 | 76.1° | 0.3° |
C6 | O5 | C2 | F4 | 75.9° | 60.1° |
C6 | O5 | C2 | F1 | 45.7° | 60.0° |
O5 | C6 | C14 | C15 | 1.4° | 0.2° |
O5 | C6 | C14 | C7 | 178.0° | 179.7° |
O5 | C6 | C14 | C13 | 178.3° | 179.7° |
O5 | C6 | C7 | C8 | 178.8° | 179.7° |
O5 | C6 | C7 | H1 | 1.2° | 0.3° |
N22 | C21 | C20 | C30 | 176.9° | 179.7° |
N22 | C21 | C20 | N19 | 178.3° | 179.7° |
N22 | C21 | C30 | C31 | 25.3° | 145.2° |
N22 | C21 | C30 | C35 | 148.6° | 35.1° |
C17 | N19 | C20 | C21 | 74.1° | 151.3° |
C17 | N19 | C20 | H18 | 180.0° | 179.9° |
N19 | C17 | N16 | C15 | 179.3° | 180.0° |
N19 | C17 | N16 | H17 | 0.7° | 0.0° |
N16 | C17 | N19 | C20 | 179.2° | 173.7° |
C17 | N16 | C15 | H17 | 180.0° | 179.9° |
C17 | N16 | C15 | C14 | 109.7° | 180.0° |
C17 | N16 | C15 | H6 | 10.8° | 60.0° |
C17 | N16 | C15 | H7 | 129.8° | 60.0° |
N16 | C17 | N19 | H18 | 0.7° | 6.3° |
C20 | C21 | C30 | C31 | 158.3° | 34.4° |
C20 | C21 | C30 | C35 | 27.8° | 145.3° |
C21 | C20 | N19 | H18 | 105.9° | 28.8° |
N19 | C20 | C21 | C30 | 1.4° | 0.0° |
N16 | C15 | C14 | H6 | 120.5° | 120.1° |
N16 | C15 | C14 | H7 | 120.5° | 120.0° |
N16 | C15 | C14 | C6 | 175.5° | 79.9° |
N16 | C15 | C14 | C13 | 4.9° | 100.0° |
N16 | C15 | H6 | H7 | 118.5° | 120.0° |
C15 | C14 | C6 | C13 | 179.7° | 180.0° |
C15 | C14 | C6 | C7 | 179.4° | 180.0° |
C15 | C14 | C13 | C9 | 179.9° | 180.0° |
C14 | C15 | H6 | H7 | 118.5° | 119.9° |
C15 | C14 | C13 | H16 | 0.1° | 0.0° |
C14 | C15 | N16 | H17 | 70.3° | 0.0° |
C21 | C30 | C31 | C35 | 174.0° | 179.7° |
C21 | C30 | C31 | C32 | 178.3° | 180.0° |
C21 | C30 | C35 | C34 | 177.5° | 179.7° |
C21 | C30 | C31 | H9 | 1.8° | 0.1° |
C21 | C30 | C35 | H13 | 2.5° | 0.0° |
C30 | C31 | C32 | H9 | 180.0° | 180.0° |
C30 | C31 | C32 | C33 | 2.6° | 0.0° |
C31 | C30 | C35 | C34 | 3.5° | 0.6° |
C30 | C31 | C32 | H10 | 177.4° | 180.0° |
C31 | C30 | C35 | H13 | 176.5° | 179.7° |
C32 | C31 | C30 | C35 | 4.3° | 0.3° |
C31 | C32 | C33 | H10 | 180.0° | 180.0° |
C31 | C32 | C33 | C34 | 0.0° | 0.0° |
C31 | C32 | C33 | H11 | 179.9° | 180.0° |
C14 | C6 | C7 | C8 | 0.8° | 0.0° |
C6 | C14 | C13 | C9 | 0.2° | 0.0° |
C14 | C6 | C7 | H1 | 179.2° | 180.0° |
C6 | C14 | C15 | H6 | 64.1° | 160.0° |
C6 | C14 | C15 | H7 | 55.0° | 40.0° |
C6 | C14 | C13 | H16 | 179.8° | 179.9° |
C7 | C6 | C14 | C13 | 0.3° | 0.0° |
C6 | C7 | C8 | H1 | 180.0° | 180.0° |
C6 | C7 | C8 | C9 | 0.8° | 0.0° |
C6 | C7 | C8 | H2 | 179.2° | 180.0° |
C30 | C35 | C34 | H13 | 180.0° | 179.7° |
C30 | C35 | C34 | C33 | 1.0° | 0.6° |
C35 | C30 | C31 | H9 | 175.7° | 179.7° |
C30 | C35 | C34 | H12 | 179.0° | 179.6° |
C14 | C13 | C9 | H16 | 180.0° | 179.9° |
C14 | C13 | C9 | C8 | 0.2° | 0.0° |
C14 | C13 | C9 | C10 | 179.7° | 179.9° |
C13 | C14 | C15 | H6 | 115.6° | 20.1° |
C13 | C14 | C15 | H7 | 125.3° | 140.0° |
C32 | C33 | C34 | C35 | 0.8° | 0.3° |
C32 | C33 | C34 | H11 | 180.0° | 180.0° |
C33 | C32 | C31 | H9 | 177.5° | 180.0° |
C32 | C33 | C34 | H12 | 179.2° | 179.9° |
C7 | C8 | C9 | C13 | 0.3° | 0.0° |
C7 | C8 | C9 | H2 | 180.0° | 180.0° |
C7 | C8 | C9 | C10 | 179.3° | 179.9° |
C35 | C34 | C33 | H12 | 180.0° | 179.7° |
C35 | C34 | C33 | H11 | 179.1° | 179.7° |
C13 | C9 | C8 | C10 | 179.6° | 180.0° |
C13 | C9 | C10 | O11 | 78.1° | 90.0° |
C13 | C9 | C8 | H2 | 179.7° | 180.0° |
C13 | C9 | C10 | H14 | 42.2° | 30.0° |
C13 | C9 | C10 | H15 | 161.5° | 150.0° |
C34 | C33 | C32 | H10 | 180.0° | 180.0° |
C33 | C34 | C35 | H13 | 179.0° | 179.7° |
C8 | C9 | C10 | O11 | 102.3° | 90.1° |
C9 | C8 | C7 | H1 | 179.2° | 180.0° |
C8 | C9 | C10 | H14 | 137.4° | 150.0° |
C8 | C9 | C10 | H15 | 18.0° | 30.0° |
C8 | C9 | C13 | H16 | 179.8° | 179.9° |
C9 | C10 | O11 | H14 | 120.3° | 119.9° |
C9 | C10 | O11 | H15 | 120.3° | 120.0° |
C9 | C10 | O11 | C12 | 170.1° | 180.0° |
C10 | C9 | C8 | H2 | 0.7° | 0.0° |
C9 | C10 | H14 | H15 | 118.9° | 120.0° |
C10 | C9 | C13 | H16 | 0.3° | 0.0° |
C10 | O11 | C12 | H3 | 180.0° | 180.0° |
C10 | O11 | C12 | H4 | 60.0° | 60.0° |
C10 | O11 | C12 | H5 | 60.0° | 60.0° |
O11 | C10 | H14 | H15 | 119.0° | 120.0° |
O11 | C12 | H3 | H4 | 120.0° | 120.0° |
O11 | C12 | H3 | H5 | 120.0° | 120.0° |
O11 | C12 | H4 | H5 | 120.0° | 120.0° |
C12 | O11 | C10 | H14 | 49.7° | 60.0° |
C12 | O11 | C10 | H15 | 69.6° | 60.0° |
H1 | C7 | C8 | H2 | 0.8° | 0.0° |
H3 | C12 | H4 | H5 | 120.0° | 120.0° |
H6 | C15 | N16 | H17 | 169.2° | 120.0° |
H7 | C15 | N16 | H17 | 50.2° | 120.0° |
H8 | C27 | C28 | H22 | 0.3° | 0.1° |
H9 | C31 | C32 | H10 | 2.6° | 0.1° |
H10 | C32 | C33 | H11 | 0.1° | 0.0° |
H11 | C33 | C34 | H12 | 0.9° | 0.0° |
H12 | C34 | C35 | H13 | 1.0° | 0.0° |
H19 | C25 | H20 | H21 | 120.0° | 120.0° |