OV0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N14 | C13 | doub | 1.30Å | 1.28Å | |
N14 | C15 | sing | 1.35Å | 1.39Å | |
F25 | C24 | sing | 1.35Å | 1.36Å | |
C13 | C12 | sing | 1.48Å | 1.46Å | |
C15 | O16 | doub | 1.22Å | 1.23Å | |
C15 | C17 | sing | 1.48Å | 1.48Å | |
C12 | C17 | doub | 1.41Å | 1.37Å | Aromatic |
C12 | N11 | sing | 1.32Å | 1.34Å | Aromatic |
C17 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
N11 | C10 | doub | 1.33Å | 1.36Å | Aromatic |
C24 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
C24 | C18 | sing | 1.40Å | 1.42Å | Aromatic |
C23 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
C8 | N7 | sing | 1.39Å | 1.41Å | |
C8 | C9 | doub | 1.40Å | 1.42Å | Aromatic |
C10 | C9 | sing | 1.39Å | 1.43Å | Aromatic |
C10 | C18 | sing | 1.48Å | 1.47Å | |
N7 | C6 | sing | 1.39Å | 1.41Å | |
C18 | C19 | doub | 1.40Å | 1.41Å | Aromatic |
C26 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
C26 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
C6 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
C22 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
C27 | C3 | doub | 1.40Å | 1.41Å | Aromatic |
C19 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
C19 | F20 | sing | 1.35Å | 1.35Å | |
C5 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
C3 | C4 | sing | 1.40Å | 1.41Å | Aromatic |
C3 | C2 | sing | 1.48Å | 1.50Å | |
O1 | C2 | doub | 1.22Å | 1.23Å | |
C2 | N28 | sing | 1.35Å | 1.35Å | |
N28 | C29 | sing | 1.47Å | 1.46Å | |
N28 | C32 | sing | 1.47Å | 1.46Å | |
C29 | C33 | sing | 1.54Å | 1.53Å | |
C32 | C34 | sing | 1.55Å | 1.53Å | |
C34 | C33 | sing | 1.55Å | 1.52Å | |
C4 | H1 | sing | 1.08Å | 1.08Å | |
C5 | H2 | sing | 1.08Å | 1.08Å | |
C21 | H3 | sing | 1.08Å | 1.08Å | |
C23 | H4 | sing | 1.08Å | 1.08Å | |
C27 | H5 | sing | 1.08Å | 1.08Å | |
C32 | H6 | sing | 1.09Å | 1.10Å | |
C32 | H7 | sing | 1.09Å | 1.10Å | |
C33 | H8 | sing | 1.09Å | 1.10Å | |
C33 | H9 | sing | 1.09Å | 1.10Å | |
C34 | H10 | sing | 1.09Å | 1.10Å | |
C34 | H11 | sing | 1.09Å | 1.10Å | |
N7 | H12 | sing | 0.97Å | 1.00Å | |
C9 | H13 | sing | 1.08Å | 1.08Å | |
C13 | H14 | sing | 1.08Å | 1.08Å | |
C22 | H15 | sing | 1.08Å | 1.08Å | |
C26 | H16 | sing | 1.08Å | 1.08Å | |
C29 | H17 | sing | 1.09Å | 1.10Å | |
C29 | H18 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C13 | N14 | C15 | 107.5° | 111.9° |
N14 | C13 | C12 | 114.0° | 109.3° |
N14 | C13 | H14 | 123.0° | 125.3° |
N14 | C15 | O16 | 128.9° | 125.9° |
N14 | C15 | C17 | 107.4° | 108.1° |
F25 | C24 | C23 | 118.8° | 120.1° |
F25 | C24 | C18 | 120.6° | 120.0° |
C13 | C12 | C17 | 104.2° | 105.3° |
C13 | C12 | N11 | 130.1° | 134.2° |
C12 | C13 | H14 | 123.0° | 125.4° |
O16 | C15 | C17 | 123.7° | 125.9° |
C15 | C17 | C12 | 106.8° | 105.3° |
C15 | C17 | C8 | 131.6° | 135.1° |
C17 | C12 | N11 | 125.6° | 120.4° |
C12 | C17 | C8 | 121.5° | 119.6° |
C12 | N11 | C10 | 115.1° | 121.7° |
C17 | C8 | N7 | 119.2° | 121.0° |
C17 | C8 | C9 | 114.0° | 117.9° |
N11 | C10 | C9 | 123.2° | 121.3° |
N11 | C10 | C18 | 115.6° | 119.4° |
C23 | C24 | C18 | 120.6° | 119.9° |
C24 | C23 | C22 | 120.3° | 120.1° |
C24 | C23 | H4 | 119.9° | 120.0° |
C24 | C18 | C10 | 121.5° | 120.2° |
C24 | C18 | C19 | 118.5° | 119.6° |
C23 | C22 | C21 | 119.6° | 120.3° |
C22 | C23 | H4 | 119.8° | 119.9° |
C23 | C22 | H15 | 120.2° | 119.8° |
N7 | C8 | C9 | 126.8° | 121.1° |
C8 | N7 | C6 | 133.7° | 120.0° |
C8 | N7 | H12 | 113.1° | 120.0° |
C8 | C9 | C10 | 120.5° | 119.2° |
C8 | C9 | H13 | 119.8° | 120.4° |
C9 | C10 | C18 | 121.3° | 119.4° |
C10 | C9 | H13 | 119.7° | 120.4° |
C10 | C18 | C19 | 120.0° | 120.2° |
N7 | C6 | C26 | 116.5° | 119.9° |
N7 | C6 | C5 | 125.4° | 119.9° |
C6 | N7 | H12 | 113.1° | 120.0° |
C18 | C19 | C21 | 120.7° | 119.9° |
C18 | C19 | F20 | 120.3° | 120.0° |
C6 | C26 | C27 | 121.3° | 120.0° |
C26 | C6 | C5 | 118.1° | 120.2° |
C6 | C26 | H16 | 119.4° | 120.0° |
C26 | C27 | C3 | 120.1° | 119.9° |
C26 | C27 | H5 | 120.0° | 120.0° |
C27 | C26 | H16 | 119.4° | 120.0° |
C6 | C5 | C4 | 120.7° | 120.0° |
C6 | C5 | H2 | 119.7° | 120.0° |
C22 | C21 | C19 | 120.3° | 120.2° |
C22 | C21 | H3 | 119.9° | 119.9° |
C21 | C22 | H15 | 120.2° | 119.8° |
C27 | C3 | C4 | 119.0° | 119.9° |
C27 | C3 | C2 | 121.7° | 120.1° |
C3 | C27 | H5 | 119.9° | 120.0° |
C21 | C19 | F20 | 119.0° | 120.1° |
C19 | C21 | H3 | 119.9° | 119.9° |
C5 | C4 | C3 | 120.7° | 119.9° |
C5 | C4 | H1 | 119.6° | 120.0° |
C4 | C5 | H2 | 119.6° | 120.0° |
C4 | C3 | C2 | 119.3° | 120.1° |
C3 | C4 | H1 | 119.6° | 120.1° |
C3 | C2 | O1 | 118.6° | 120.0° |
C3 | C2 | N28 | 118.7° | 120.0° |
O1 | C2 | N28 | 122.7° | 120.0° |
C2 | N28 | C29 | 127.0° | 125.7° |
C2 | N28 | C32 | 122.2° | 125.6° |
C29 | N28 | C32 | 110.4° | 108.7° |
N28 | C29 | C33 | 105.6° | 107.3° |
N28 | C29 | H17 | 110.4° | 109.9° |
N28 | C29 | H18 | 110.5° | 109.9° |
N28 | C32 | C34 | 106.0° | 104.8° |
N28 | C32 | H6 | 110.3° | 110.4° |
N28 | C32 | H7 | 110.3° | 110.5° |
C29 | C33 | C34 | 104.2° | 102.9° |
C29 | C33 | H8 | 110.7° | 110.7° |
C29 | C33 | H9 | 110.8° | 110.9° |
C33 | C29 | H17 | 110.5° | 109.9° |
C33 | C29 | H18 | 110.4° | 109.9° |
C32 | C34 | C33 | 104.1° | 101.6° |
C34 | C32 | H6 | 110.3° | 110.3° |
C34 | C32 | H7 | 110.3° | 110.3° |
C32 | C34 | H10 | 110.8° | 111.0° |
C32 | C34 | H11 | 110.8° | 111.0° |
C34 | C33 | H8 | 110.8° | 110.7° |
C34 | C33 | H9 | 110.7° | 110.8° |
C33 | C34 | H10 | 110.8° | 111.0° |
C33 | C34 | H11 | 110.8° | 111.0° |
H6 | C32 | H7 | 109.5° | 110.4° |
H8 | C33 | H9 | 109.5° | 110.6° |
H10 | C34 | H11 | 109.5° | 110.9° |
H17 | C29 | H18 | 109.5° | 110.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N14 | C13 | C12 | H14 | 180.0° | 179.9° |
C13 | N14 | C15 | O16 | 179.3° | 180.0° |
C13 | N14 | C15 | C17 | 0.9° | 0.0° |
N14 | C13 | C12 | C17 | 0.7° | 0.0° |
N14 | C13 | C12 | N11 | 176.3° | 179.9° |
C15 | N14 | C13 | C12 | 1.0° | 0.0° |
N14 | C15 | O16 | C17 | 179.7° | 180.0° |
N14 | C15 | C17 | C12 | 0.5° | 0.0° |
N14 | C15 | C17 | C8 | 176.5° | 180.0° |
C15 | N14 | C13 | H14 | 179.0° | 179.9° |
F25 | C24 | C23 | C18 | 179.5° | 180.0° |
F25 | C24 | C23 | C22 | 179.6° | 180.0° |
F25 | C24 | C18 | C10 | 0.5° | 0.2° |
F25 | C24 | C18 | C19 | 179.7° | 180.0° |
F25 | C24 | C23 | H4 | 0.3° | 0.0° |
C13 | C12 | C17 | C15 | 0.1° | 0.0° |
C13 | C12 | C17 | N11 | 177.1° | 179.9° |
C13 | C12 | C17 | C8 | 177.4° | 180.0° |
C13 | C12 | N11 | C10 | 174.9° | 179.8° |
O16 | C15 | C17 | C12 | 179.7° | 180.0° |
O16 | C15 | C17 | C8 | 3.3° | 0.0° |
C15 | C17 | C12 | C8 | 177.4° | 180.0° |
C15 | C17 | C12 | N11 | 177.1° | 179.9° |
C15 | C17 | C8 | N7 | 4.0° | 0.1° |
C15 | C17 | C8 | C9 | 174.0° | 179.8° |
C17 | C12 | N11 | C10 | 1.5° | 0.4° |
C12 | C17 | C8 | N7 | 179.3° | 180.0° |
C12 | C17 | C8 | C9 | 2.6° | 0.3° |
C17 | C12 | C13 | H14 | 179.3° | 179.9° |
N11 | C12 | C17 | C8 | 0.3° | 0.1° |
C12 | N11 | C10 | C9 | 0.8° | 0.3° |
C12 | N11 | C10 | C18 | 178.7° | 179.7° |
N11 | C12 | C13 | H14 | 3.7° | 0.0° |
C17 | C8 | N7 | C9 | 177.8° | 179.7° |
C17 | C8 | C9 | C10 | 3.2° | 0.3° |
C17 | C8 | N7 | C6 | 174.5° | 65.5° |
C17 | C8 | N7 | H12 | 5.5° | 114.7° |
C17 | C8 | C9 | H13 | 176.8° | 179.8° |
N11 | C10 | C18 | C24 | 53.3° | 138.5° |
N11 | C10 | C9 | C8 | 1.6° | 0.0° |
N11 | C10 | C9 | C18 | 179.5° | 180.0° |
N11 | C10 | C18 | C19 | 127.5° | 41.3° |
N11 | C10 | C9 | H13 | 178.4° | 179.9° |
C24 | C23 | C22 | H4 | 180.0° | 180.0° |
C23 | C24 | C18 | C10 | 179.0° | 179.8° |
C23 | C24 | C18 | C19 | 0.2° | 0.0° |
C24 | C23 | C22 | C21 | 0.1° | 0.0° |
C24 | C23 | C22 | H15 | 179.9° | 180.0° |
C18 | C24 | C23 | C22 | 0.1° | 0.0° |
C24 | C18 | C10 | C9 | 126.2° | 41.5° |
C24 | C18 | C10 | C19 | 179.2° | 179.7° |
C24 | C18 | C19 | C21 | 0.3° | 0.0° |
C24 | C18 | C19 | F20 | 179.1° | 180.0° |
C18 | C24 | C23 | H4 | 179.9° | 180.0° |
C23 | C22 | C21 | H15 | 180.0° | 180.0° |
C23 | C22 | C21 | C19 | 0.3° | 0.0° |
C23 | C22 | C21 | H3 | 179.8° | 180.0° |
N7 | C8 | C9 | C10 | 178.9° | 180.0° |
C8 | N7 | C6 | H12 | 180.0° | 179.9° |
C8 | N7 | C6 | C26 | 170.0° | 5.3° |
C8 | N7 | C6 | C5 | 10.7° | 174.7° |
N7 | C8 | C9 | H13 | 1.1° | 0.1° |
C8 | C9 | C10 | H13 | 180.0° | 179.9° |
C8 | C9 | C10 | C18 | 178.9° | 180.0° |
C9 | C8 | N7 | C6 | 7.7° | 114.2° |
C9 | C8 | N7 | H12 | 172.3° | 65.6° |
C9 | C10 | C18 | C19 | 53.0° | 138.8° |
C10 | C18 | C19 | C21 | 178.9° | 179.7° |
C10 | C18 | C19 | F20 | 1.6° | 0.3° |
C18 | C10 | C9 | H13 | 1.1° | 0.0° |
N7 | C6 | C26 | C5 | 179.3° | 180.0° |
N7 | C6 | C26 | C27 | 176.8° | 179.8° |
N7 | C6 | C5 | C4 | 176.7° | 179.9° |
N7 | C6 | C5 | H2 | 3.3° | 0.1° |
N7 | C6 | C26 | H16 | 3.2° | 0.0° |
C18 | C19 | C21 | C22 | 0.4° | 0.0° |
C18 | C19 | C21 | F20 | 179.5° | 180.0° |
C18 | C19 | C21 | H3 | 179.7° | 180.0° |
C6 | C26 | C27 | H16 | 180.0° | 179.8° |
C6 | C26 | C27 | C3 | 1.2° | 0.5° |
C26 | C6 | C5 | C4 | 4.1° | 0.0° |
C26 | C6 | C5 | H2 | 175.9° | 180.0° |
C6 | C26 | C27 | H5 | 178.8° | 180.0° |
C26 | C6 | N7 | H12 | 10.0° | 174.6° |
C27 | C26 | C6 | C5 | 3.9° | 0.3° |
C26 | C27 | C3 | H5 | 180.0° | 179.5° |
C26 | C27 | C3 | C4 | 1.3° | 0.5° |
C26 | C27 | C3 | C2 | 174.9° | 179.7° |
C6 | C5 | C4 | H2 | 180.0° | 180.0° |
C6 | C5 | C4 | C3 | 1.7° | 0.0° |
C6 | C5 | C4 | H1 | 178.4° | 180.0° |
C5 | C6 | N7 | H12 | 169.3° | 5.5° |
C5 | C6 | C26 | H16 | 176.2° | 180.0° |
C22 | C21 | C19 | H3 | 180.0° | 180.0° |
C22 | C21 | C19 | F20 | 179.1° | 180.0° |
C21 | C22 | C23 | H4 | 179.9° | 180.0° |
C27 | C3 | C4 | C5 | 1.1° | 0.2° |
C27 | C3 | C4 | C2 | 176.2° | 179.8° |
C27 | C3 | C2 | O1 | 124.5° | 155.5° |
C27 | C3 | C2 | N28 | 56.9° | 24.8° |
C27 | C3 | C4 | H1 | 178.9° | 179.7° |
C3 | C27 | C26 | H16 | 178.8° | 179.7° |
C19 | C21 | C22 | H15 | 179.7° | 180.0° |
F20 | C19 | C21 | H3 | 0.8° | 0.0° |
C5 | C4 | C3 | H1 | 180.0° | 179.9° |
C5 | C4 | C3 | C2 | 175.2° | 180.0° |
C4 | C3 | C2 | O1 | 51.6° | 24.3° |
C4 | C3 | C2 | N28 | 127.0° | 155.5° |
C3 | C4 | C5 | H2 | 178.3° | 179.9° |
C4 | C3 | C27 | H5 | 178.7° | 180.0° |
C3 | C2 | O1 | N28 | 178.6° | 179.8° |
C3 | C2 | N28 | C29 | 6.3° | 174.1° |
C3 | C2 | N28 | C32 | 179.5° | 5.9° |
C2 | C3 | C4 | H1 | 4.8° | 0.1° |
C2 | C3 | C27 | H5 | 5.1° | 0.2° |
O1 | C2 | N28 | C29 | 172.2° | 6.2° |
O1 | C2 | N28 | C32 | 1.0° | 173.8° |
C2 | N28 | C29 | C32 | 173.9° | 180.0° |
C2 | N28 | C29 | C33 | 163.2° | 179.0° |
C2 | N28 | C32 | C34 | 176.7° | 155.9° |
C2 | N28 | C32 | H6 | 57.3° | 85.3° |
C2 | N28 | C32 | H7 | 63.8° | 37.0° |
C2 | N28 | C29 | H17 | 43.8° | 59.5° |
C2 | N28 | C29 | H18 | 77.4° | 61.6° |
N28 | C29 | C33 | H17 | 119.4° | 119.5° |
N28 | C29 | C33 | H18 | 119.4° | 119.4° |
C29 | N28 | C32 | C34 | 9.1° | 24.1° |
N28 | C29 | C33 | C34 | 26.0° | 22.2° |
C29 | N28 | C32 | H6 | 128.5° | 94.7° |
C29 | N28 | C32 | H7 | 110.4° | 143.0° |
N28 | C29 | C33 | H8 | 93.2° | 140.6° |
N28 | C29 | C33 | H9 | 145.2° | 96.3° |
N28 | C29 | H17 | H18 | 121.8° | 121.1° |
C32 | N28 | C29 | C33 | 10.6° | 1.0° |
N28 | C32 | C34 | H6 | 119.5° | 118.8° |
N28 | C32 | C34 | H7 | 119.4° | 119.0° |
N28 | C32 | C34 | C33 | 25.1° | 37.0° |
N28 | C32 | H6 | H7 | 121.6° | 122.4° |
N28 | C32 | C34 | H10 | 94.1° | 81.1° |
N28 | C32 | C34 | H11 | 144.2° | 155.1° |
C32 | N28 | C29 | H17 | 130.1° | 120.5° |
C32 | N28 | C29 | H18 | 108.7° | 118.4° |
C29 | C33 | C34 | C32 | 31.1° | 35.5° |
C29 | C33 | C34 | H8 | 119.2° | 118.3° |
C29 | C33 | C34 | H9 | 119.2° | 118.5° |
C29 | C33 | H8 | H9 | 122.4° | 123.3° |
C29 | C33 | C34 | H10 | 88.0° | 82.6° |
C29 | C33 | C34 | H11 | 150.3° | 153.6° |
C33 | C29 | H17 | H18 | 121.8° | 121.1° |
C32 | C34 | C33 | H10 | 119.1° | 118.1° |
C32 | C34 | C33 | H11 | 119.2° | 118.1° |
C34 | C32 | H6 | H7 | 121.6° | 122.2° |
C32 | C34 | C33 | H8 | 88.0° | 153.8° |
C32 | C34 | C33 | H9 | 150.3° | 83.0° |
C32 | C34 | H10 | H11 | 122.5° | 123.9° |
C33 | C34 | C32 | H6 | 144.5° | 81.8° |
C33 | C34 | C32 | H7 | 94.4° | 156.0° |
C34 | C33 | H8 | H9 | 122.4° | 123.2° |
C33 | C34 | H10 | H11 | 122.5° | 123.9° |
C34 | C33 | C29 | H17 | 145.4° | 97.2° |
C34 | C33 | C29 | H18 | 93.4° | 141.6° |
H1 | C4 | C5 | H2 | 1.7° | 0.0° |
H3 | C21 | C22 | H15 | 0.2° | 0.0° |
H4 | C23 | C22 | H15 | 0.1° | 0.1° |
H5 | C27 | C26 | H16 | 1.2° | 0.2° |
H6 | C32 | C34 | H10 | 25.4° | 160.1° |
H6 | C32 | C34 | H11 | 96.3° | 36.2° |
H7 | C32 | C34 | H10 | 146.5° | 37.9° |
H7 | C32 | C34 | H11 | 24.7° | 86.0° |
H8 | C33 | C34 | H10 | 152.8° | 35.7° |
H8 | C33 | C34 | H11 | 31.1° | 88.1° |
H8 | C33 | C29 | H17 | 26.2° | 21.1° |
H8 | C33 | C29 | H18 | 147.4° | 100.0° |
H9 | C33 | C34 | H10 | 31.2° | 158.9° |
H9 | C33 | C34 | H11 | 90.5° | 35.0° |
H9 | C33 | C29 | H17 | 95.5° | 144.3° |
H9 | C33 | C29 | H18 | 25.7° | 23.2° |