7HT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
C23 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
C14 | N15 | doub | 1.32Å | 1.34Å | Aromatic |
C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
N15 | C16 | sing | 1.32Å | 1.34Å | Aromatic |
C12 | C10 | sing | 1.53Å | 1.52Å | |
C11 | C10 | sing | 1.53Å | 1.53Å | |
C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
C13 | C10 | sing | 1.51Å | 1.52Å | |
C13 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
C10 | C9 | sing | 1.54Å | 1.55Å | |
C18 | C17 | sing | 1.51Å | 1.51Å | |
C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
C16 | C17 | sing | 1.51Å | 1.51Å | |
C16 | C24 | doub | 1.38Å | 1.41Å | Aromatic |
C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
C25 | C24 | sing | 1.40Å | 1.39Å | Aromatic |
C25 | N8 | sing | 1.39Å | 1.42Å | |
C9 | N8 | sing | 1.47Å | 1.49Å | |
N8 | C6 | sing | 1.35Å | 1.37Å | |
C31 | C30 | sing | 1.51Å | 1.50Å | |
C32 | C30 | sing | 1.40Å | 1.39Å | Aromatic |
C32 | N33 | doub | 1.31Å | 1.32Å | Aromatic |
C30 | C29 | doub | 1.35Å | 1.36Å | Aromatic |
C6 | O7 | doub | 1.21Å | 1.22Å | |
C6 | C5 | sing | 1.51Å | 1.52Å | |
N33 | N28 | sing | 1.40Å | 1.36Å | Aromatic |
C5 | N4 | sing | 1.47Å | 1.47Å | |
C29 | N28 | sing | 1.35Å | 1.34Å | Aromatic |
N28 | C27 | sing | 1.47Å | 1.46Å | |
N4 | C3 | sing | 1.47Å | 1.47Å | |
N4 | C26 | sing | 1.47Å | 1.48Å | |
C27 | C26 | sing | 1.53Å | 1.54Å | |
C3 | C2 | sing | 1.53Å | 1.52Å | |
C26 | C34 | sing | 1.53Å | 1.53Å | |
C2 | C1 | sing | 1.53Å | 1.52Å | |
C2 | N35 | sing | 1.47Å | 1.50Å | |
C34 | N35 | sing | 1.47Å | 1.49Å | |
C1 | H37 | sing | 1.09Å | 1.10Å | |
C1 | H38 | sing | 1.09Å | 1.10Å | |
C1 | H36 | sing | 1.09Å | 1.10Å | |
C2 | H39 | sing | 1.09Å | 1.10Å | |
C3 | H41 | sing | 1.09Å | 1.10Å | |
C3 | H40 | sing | 1.09Å | 1.10Å | |
C5 | H43 | sing | 1.09Å | 1.10Å | |
C5 | H42 | sing | 1.09Å | 1.10Å | |
C11 | H46 | sing | 1.09Å | 1.10Å | |
C11 | H47 | sing | 1.09Å | 1.10Å | |
C11 | H48 | sing | 1.09Å | 1.10Å | |
C12 | H51 | sing | 1.09Å | 1.10Å | |
C12 | H49 | sing | 1.09Å | 1.10Å | |
C12 | H50 | sing | 1.09Å | 1.10Å | |
C14 | H52 | sing | 1.08Å | 1.08Å | |
C19 | H55 | sing | 1.08Å | 1.08Å | |
C21 | H57 | sing | 1.08Å | 1.08Å | |
C22 | H58 | sing | 1.08Å | 1.08Å | |
C23 | H59 | sing | 1.08Å | 1.08Å | |
C24 | H60 | sing | 1.08Å | 1.08Å | |
C26 | H61 | sing | 1.09Å | 1.10Å | |
C27 | H63 | sing | 1.09Å | 1.10Å | |
C27 | H62 | sing | 1.09Å | 1.10Å | |
C31 | H65 | sing | 1.09Å | 1.10Å | |
C31 | H66 | sing | 1.09Å | 1.10Å | |
C31 | H67 | sing | 1.09Å | 1.10Å | |
C9 | H45 | sing | 1.09Å | 1.10Å | |
C9 | H44 | sing | 1.09Å | 1.10Å | |
C17 | H54 | sing | 1.09Å | 1.10Å | |
C17 | H53 | sing | 1.09Å | 1.10Å | |
C20 | H56 | sing | 1.08Å | 1.08Å | |
C29 | H64 | sing | 1.08Å | 1.08Å | |
C32 | H68 | sing | 1.08Å | 1.08Å | |
C34 | H69 | sing | 1.09Å | 1.10Å | |
C34 | H70 | sing | 1.09Å | 1.10Å | |
N35 | H72 | sing | 1.01Å | 1.00Å | |
N35 | H71 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C23 | C22 | C21 | 120.2° | 120.0° |
C22 | C23 | C18 | 120.5° | 120.0° |
C23 | C22 | H58 | 119.9° | 120.0° |
C22 | C23 | H59 | 119.8° | 120.0° |
C22 | C21 | C20 | 120.0° | 120.0° |
C22 | C21 | H57 | 120.0° | 120.0° |
C21 | C22 | H58 | 119.9° | 120.0° |
C23 | C18 | C17 | 120.8° | 120.0° |
C23 | C18 | C19 | 118.7° | 120.0° |
C18 | C23 | H59 | 119.8° | 120.0° |
N15 | C14 | C13 | 122.4° | 120.7° |
C14 | N15 | C16 | 119.3° | 121.7° |
N15 | C14 | H52 | 118.8° | 119.7° |
C14 | C13 | C10 | 130.2° | 131.9° |
C14 | C13 | C25 | 118.7° | 119.6° |
C13 | C14 | H52 | 118.8° | 119.6° |
N15 | C16 | C17 | 115.8° | 119.5° |
N15 | C16 | C24 | 122.0° | 121.1° |
C12 | C10 | C11 | 109.2° | 110.4° |
C12 | C10 | C13 | 111.6° | 110.5° |
C12 | C10 | C9 | 110.9° | 110.4° |
C10 | C12 | H51 | 109.5° | 109.4° |
C10 | C12 | H49 | 109.5° | 109.5° |
C10 | C12 | H50 | 109.5° | 109.5° |
C11 | C10 | C13 | 111.3° | 110.4° |
C11 | C10 | C9 | 111.7° | 110.4° |
C10 | C11 | H46 | 109.5° | 109.5° |
C10 | C11 | H47 | 109.5° | 109.5° |
C10 | C11 | H48 | 109.5° | 109.5° |
C21 | C20 | C19 | 120.1° | 120.0° |
C20 | C21 | H57 | 120.0° | 120.0° |
C21 | C20 | H56 | 120.0° | 120.0° |
C10 | C13 | C25 | 111.1° | 108.4° |
C13 | C10 | C9 | 102.1° | 104.5° |
C13 | C25 | C24 | 120.1° | 117.8° |
C13 | C25 | N8 | 108.9° | 111.7° |
C10 | C9 | N8 | 104.2° | 105.2° |
C10 | C9 | H45 | 110.8° | 110.3° |
C10 | C9 | H44 | 110.8° | 110.3° |
C17 | C18 | C19 | 120.5° | 120.0° |
C18 | C17 | C16 | 111.9° | 109.4° |
C18 | C17 | H54 | 108.9° | 109.5° |
C18 | C17 | H53 | 108.8° | 109.4° |
C18 | C19 | C20 | 120.6° | 120.0° |
C18 | C19 | H55 | 119.7° | 120.0° |
C17 | C16 | C24 | 122.2° | 119.4° |
C16 | C17 | H54 | 108.8° | 109.5° |
C16 | C17 | H53 | 108.9° | 109.5° |
C16 | C24 | C25 | 117.5° | 119.1° |
C16 | C24 | H60 | 121.2° | 120.5° |
C20 | C19 | H55 | 119.7° | 120.0° |
C19 | C20 | H56 | 119.9° | 120.0° |
C24 | C25 | N8 | 131.0° | 130.5° |
C25 | C24 | H60 | 121.3° | 120.4° |
C25 | N8 | C9 | 109.4° | 110.1° |
C25 | N8 | C6 | 126.8° | 125.0° |
C9 | N8 | C6 | 123.1° | 124.9° |
N8 | C9 | H45 | 110.8° | 110.3° |
N8 | C9 | H44 | 110.8° | 110.3° |
N8 | C6 | O7 | 121.8° | 120.0° |
N8 | C6 | C5 | 117.6° | 120.0° |
C31 | C30 | C32 | 126.8° | 126.0° |
C31 | C30 | C29 | 127.3° | 126.1° |
C30 | C31 | H65 | 109.5° | 109.5° |
C30 | C31 | H66 | 109.5° | 109.5° |
C30 | C31 | H67 | 109.4° | 109.5° |
C30 | C32 | N33 | 110.6° | 108.2° |
C32 | C30 | C29 | 105.9° | 107.9° |
C30 | C32 | H68 | 124.7° | 125.9° |
C32 | N33 | N28 | 105.2° | 108.2° |
N33 | C32 | H68 | 124.7° | 125.8° |
C30 | C29 | N28 | 106.6° | 107.8° |
C30 | C29 | H64 | 126.7° | 126.1° |
O7 | C6 | C5 | 120.6° | 120.0° |
C6 | C5 | N4 | 115.0° | 109.5° |
C6 | C5 | H43 | 108.1° | 109.5° |
C6 | C5 | H42 | 108.1° | 109.5° |
N33 | N28 | C29 | 111.6° | 107.9° |
N33 | N28 | C27 | 119.9° | 126.0° |
C5 | N4 | C3 | 112.3° | 111.0° |
C5 | N4 | C26 | 117.4° | 111.0° |
N4 | C5 | H43 | 108.1° | 109.5° |
N4 | C5 | H42 | 108.1° | 109.5° |
C29 | N28 | C27 | 128.4° | 126.0° |
N28 | C29 | H64 | 126.7° | 126.1° |
N28 | C27 | C26 | 113.4° | 109.4° |
N28 | C27 | H63 | 108.5° | 109.5° |
N28 | C27 | H62 | 108.5° | 109.4° |
C3 | N4 | C26 | 115.9° | 110.8° |
N4 | C3 | C2 | 112.3° | 109.3° |
N4 | C3 | H41 | 108.8° | 109.5° |
N4 | C3 | H40 | 108.8° | 109.5° |
N4 | C26 | C27 | 115.5° | 109.5° |
N4 | C26 | C34 | 107.5° | 109.3° |
N4 | C26 | H61 | 108.0° | 109.5° |
C27 | C26 | C34 | 110.8° | 109.5° |
C27 | C26 | H61 | 107.3° | 109.5° |
C26 | C27 | H63 | 108.5° | 109.5° |
C26 | C27 | H62 | 108.5° | 109.5° |
C3 | C2 | C1 | 112.2° | 109.5° |
C3 | C2 | N35 | 108.8° | 109.5° |
C3 | C2 | H39 | 108.6° | 109.5° |
C2 | C3 | H41 | 108.7° | 109.5° |
C2 | C3 | H40 | 108.8° | 109.4° |
C26 | C34 | N35 | 111.0° | 109.5° |
C34 | C26 | H61 | 107.4° | 109.5° |
C26 | C34 | H69 | 109.1° | 109.4° |
C26 | C34 | H70 | 109.1° | 109.5° |
C1 | C2 | N35 | 109.6° | 109.4° |
C2 | C1 | H37 | 109.5° | 109.5° |
C2 | C1 | H38 | 109.5° | 109.5° |
C2 | C1 | H36 | 109.5° | 109.5° |
C1 | C2 | H39 | 108.6° | 109.5° |
C2 | N35 | C34 | 113.0° | 109.5° |
N35 | C2 | H39 | 108.9° | 109.5° |
C2 | N35 | H72 | 108.6° | 109.5° |
C2 | N35 | H71 | 108.6° | 109.4° |
N35 | C34 | H69 | 109.1° | 109.5° |
N35 | C34 | H70 | 109.1° | 109.5° |
C34 | N35 | H72 | 108.6° | 109.5° |
C34 | N35 | H71 | 108.6° | 109.5° |
H37 | C1 | H38 | 109.5° | 109.5° |
H37 | C1 | H36 | 109.5° | 109.4° |
H38 | C1 | H36 | 109.5° | 109.4° |
H41 | C3 | H40 | 109.5° | 109.5° |
H43 | C5 | H42 | 109.4° | 109.5° |
H46 | C11 | H47 | 109.5° | 109.4° |
H46 | C11 | H48 | 109.5° | 109.4° |
H47 | C11 | H48 | 109.4° | 109.5° |
H51 | C12 | H49 | 109.4° | 109.5° |
H51 | C12 | H50 | 109.4° | 109.4° |
H49 | C12 | H50 | 109.4° | 109.5° |
H63 | C27 | H62 | 109.4° | 109.5° |
H65 | C31 | H66 | 109.4° | 109.5° |
H65 | C31 | H67 | 109.5° | 109.4° |
H66 | C31 | H67 | 109.5° | 109.5° |
H45 | C9 | H44 | 109.4° | 110.4° |
H54 | C17 | H53 | 109.5° | 109.5° |
H69 | C34 | H70 | 109.5° | 109.5° |
H72 | N35 | H71 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C23 | C22 | C21 | H58 | 180.0° | 179.8° |
C22 | C23 | C18 | H59 | 180.0° | 179.8° |
C23 | C22 | C21 | C20 | 0.0° | 0.2° |
C22 | C23 | C18 | C17 | 180.0° | 180.0° |
C22 | C23 | C18 | C19 | 0.0° | 0.1° |
C23 | C22 | C21 | H57 | 180.0° | 179.7° |
C21 | C22 | C23 | C18 | 0.1° | 0.2° |
C22 | C21 | C20 | H57 | 180.0° | 179.9° |
C22 | C21 | C20 | C19 | 0.0° | 0.0° |
C21 | C22 | C23 | H59 | 180.0° | 180.0° |
C22 | C21 | C20 | H56 | 180.0° | 180.0° |
C23 | C18 | C17 | C19 | 180.0° | 180.0° |
C23 | C18 | C17 | C16 | 105.1° | 82.0° |
C23 | C18 | C19 | C20 | 0.0° | 0.3° |
C23 | C18 | C19 | H55 | 180.0° | 180.0° |
C18 | C23 | C22 | H58 | 180.0° | 180.0° |
C23 | C18 | C17 | H54 | 134.6° | 38.0° |
C23 | C18 | C17 | H53 | 15.3° | 158.1° |
N15 | C14 | C13 | H52 | 180.0° | 180.0° |
N15 | C14 | C13 | C10 | 180.0° | 180.0° |
N15 | C14 | C13 | C25 | 0.0° | 0.1° |
C14 | N15 | C16 | C17 | 180.0° | 180.0° |
C14 | N15 | C16 | C24 | 0.0° | 0.0° |
C13 | C14 | N15 | C16 | 0.0° | 0.0° |
C14 | C13 | C10 | C12 | 49.1° | 61.2° |
C14 | C13 | C10 | C11 | 73.1° | 61.2° |
C14 | C13 | C10 | C25 | 180.0° | 179.9° |
C14 | C13 | C10 | C9 | 167.6° | 180.0° |
C14 | C13 | C25 | C24 | 0.0° | 0.1° |
C14 | C13 | C25 | N8 | 180.0° | 180.0° |
N15 | C16 | C17 | C18 | 83.6° | 53.8° |
N15 | C16 | C17 | C24 | 180.0° | 180.0° |
N15 | C16 | C24 | C25 | 0.1° | 0.0° |
C16 | N15 | C14 | H52 | 180.0° | 180.0° |
N15 | C16 | C24 | H60 | 180.0° | 180.0° |
N15 | C16 | C17 | H54 | 156.0° | 66.2° |
N15 | C16 | C17 | H53 | 36.7° | 173.8° |
C12 | C10 | C11 | C13 | 123.7° | 122.5° |
C12 | C10 | C11 | C9 | 123.0° | 122.4° |
C12 | C10 | C13 | C9 | 118.5° | 118.8° |
C12 | C10 | C13 | C25 | 130.9° | 118.9° |
C12 | C10 | C9 | N8 | 138.1° | 118.9° |
C12 | C10 | C11 | H46 | 180.0° | 62.4° |
C12 | C10 | C11 | H47 | 60.0° | 57.6° |
C12 | C10 | C11 | H48 | 60.0° | 177.6° |
C10 | C12 | H51 | H49 | 120.0° | 120.0° |
C10 | C12 | H51 | H50 | 120.0° | 120.0° |
C10 | C12 | H49 | H50 | 120.0° | 120.1° |
C12 | C10 | C9 | H45 | 18.9° | 0.0° |
C12 | C10 | C9 | H44 | 102.7° | 122.2° |
C11 | C10 | C13 | C9 | 119.2° | 118.8° |
C11 | C10 | C13 | C25 | 106.8° | 118.7° |
C11 | C10 | C9 | N8 | 99.9° | 118.7° |
C10 | C11 | H46 | H47 | 120.0° | 120.1° |
C10 | C11 | H46 | H48 | 120.0° | 120.0° |
C10 | C11 | H47 | H48 | 120.0° | 120.0° |
C11 | C10 | C12 | H51 | 180.0° | 177.6° |
C11 | C10 | C12 | H49 | 60.0° | 57.6° |
C11 | C10 | C12 | H50 | 60.0° | 62.4° |
C11 | C10 | C9 | H45 | 140.9° | 122.3° |
C11 | C10 | C9 | H44 | 19.3° | 0.2° |
C21 | C20 | C19 | C18 | 0.0° | 0.2° |
C21 | C20 | C19 | H56 | 180.0° | 180.0° |
C21 | C20 | C19 | H55 | 180.0° | 180.0° |
C20 | C21 | C22 | H58 | 180.0° | 180.0° |
C10 | C13 | C25 | C24 | 180.0° | 180.0° |
C10 | C13 | C25 | N8 | 0.0° | 0.0° |
C13 | C10 | C9 | N8 | 19.1° | 0.0° |
C13 | C10 | C11 | H46 | 56.4° | 175.1° |
C13 | C10 | C11 | H47 | 176.4° | 64.9° |
C13 | C10 | C11 | H48 | 63.7° | 55.2° |
C13 | C10 | C12 | H51 | 56.5° | 55.2° |
C13 | C10 | C12 | H49 | 63.5° | 64.8° |
C13 | C10 | C12 | H50 | 176.5° | 175.1° |
C10 | C13 | C14 | H52 | 0.0° | 0.0° |
C13 | C10 | C9 | H45 | 100.1° | 118.9° |
C13 | C10 | C9 | H44 | 138.3° | 118.9° |
C25 | C13 | C10 | C9 | 12.4° | 0.0° |
C13 | C25 | C24 | C16 | 0.0° | 0.1° |
C13 | C25 | C24 | N8 | 180.0° | 179.9° |
C13 | C25 | N8 | C9 | 13.3° | 0.0° |
C13 | C25 | N8 | C6 | 176.7° | 179.9° |
C25 | C13 | C14 | H52 | 180.0° | 180.0° |
C13 | C25 | C24 | H60 | 180.0° | 180.0° |
C10 | C9 | N8 | C25 | 20.6° | 0.0° |
C10 | C9 | N8 | H45 | 119.2° | 118.9° |
C10 | C9 | N8 | H44 | 119.2° | 118.9° |
C10 | C9 | N8 | C6 | 168.9° | 180.0° |
C9 | C10 | C11 | H46 | 57.0° | 60.0° |
C9 | C10 | C11 | H47 | 63.0° | 180.0° |
C9 | C10 | C11 | H48 | 177.0° | 60.0° |
C9 | C10 | C12 | H51 | 56.5° | 60.0° |
C9 | C10 | C12 | H49 | 176.5° | 180.0° |
C9 | C10 | C12 | H50 | 63.5° | 60.0° |
C10 | C9 | H45 | H44 | 122.4° | 122.1° |
C18 | C17 | C16 | H54 | 120.4° | 120.0° |
C18 | C17 | C16 | H53 | 120.4° | 119.9° |
C18 | C17 | C16 | C24 | 96.3° | 126.2° |
C17 | C18 | C19 | C20 | 180.0° | 179.8° |
C17 | C18 | C19 | H55 | 0.0° | 0.0° |
C17 | C18 | C23 | H59 | 0.0° | 0.2° |
C18 | C17 | H54 | H53 | 118.9° | 120.0° |
C19 | C18 | C17 | C16 | 74.9° | 98.0° |
C18 | C19 | C20 | H55 | 180.0° | 179.8° |
C19 | C18 | C23 | H59 | 180.0° | 179.8° |
C19 | C18 | C17 | H54 | 45.4° | 142.0° |
C19 | C18 | C17 | H53 | 164.7° | 22.0° |
C18 | C19 | C20 | H56 | 180.0° | 179.8° |
C17 | C16 | C24 | C25 | 180.0° | 180.0° |
C17 | C16 | C24 | H60 | 0.0° | 0.0° |
C16 | C17 | H54 | H53 | 118.9° | 120.0° |
C16 | C24 | C25 | H60 | 180.0° | 180.0° |
C16 | C24 | C25 | N8 | 180.0° | 180.0° |
C24 | C16 | C17 | H54 | 24.1° | 113.8° |
C24 | C16 | C17 | H53 | 143.3° | 6.3° |
C19 | C20 | C21 | H57 | 180.0° | 179.9° |
C24 | C25 | N8 | C9 | 166.7° | 179.9° |
C24 | C25 | N8 | C6 | 3.3° | 0.0° |
C25 | N8 | C9 | C6 | 170.4° | 180.0° |
C25 | N8 | C6 | O7 | 11.1° | 174.6° |
C25 | N8 | C6 | C5 | 169.0° | 5.4° |
N8 | C25 | C24 | H60 | 0.0° | 0.0° |
C25 | N8 | C9 | H45 | 98.5° | 118.9° |
C25 | N8 | C9 | H44 | 139.8° | 118.9° |
C9 | N8 | C6 | O7 | 179.8° | 5.4° |
C9 | N8 | C6 | C5 | 0.3° | 174.6° |
N8 | C9 | H45 | H44 | 122.4° | 122.1° |
N8 | C6 | O7 | C5 | 179.9° | 180.0° |
N8 | C6 | C5 | N4 | 169.5° | 175.6° |
N8 | C6 | C5 | H43 | 48.6° | 55.7° |
N8 | C6 | C5 | H42 | 69.7° | 64.4° |
C6 | N8 | C9 | H45 | 71.9° | 61.0° |
C6 | N8 | C9 | H44 | 49.8° | 61.1° |
C31 | C30 | C32 | C29 | 180.0° | 180.0° |
C31 | C30 | C32 | N33 | 180.0° | 179.8° |
C31 | C30 | C29 | N28 | 180.0° | 180.0° |
C30 | C31 | H65 | H66 | 120.0° | 120.0° |
C30 | C31 | H65 | H67 | 120.0° | 120.0° |
C30 | C31 | H66 | H67 | 120.0° | 120.1° |
C31 | C30 | C29 | H64 | 0.0° | 0.1° |
C31 | C30 | C32 | H68 | 0.0° | 0.0° |
C30 | C32 | N33 | H68 | 180.0° | 179.8° |
C30 | C32 | N33 | N28 | 0.0° | 0.4° |
C32 | C30 | C29 | N28 | 0.0° | 0.0° |
C32 | C30 | C31 | H65 | 90.0° | 96.4° |
C32 | C30 | C31 | H66 | 150.0° | 23.5° |
C32 | C30 | C31 | H67 | 30.0° | 143.6° |
C32 | C30 | C29 | H64 | 180.0° | 180.0° |
N33 | C32 | C30 | C29 | 0.0° | 0.3° |
C32 | N33 | N28 | C29 | 0.0° | 0.4° |
C32 | N33 | N28 | C27 | 180.0° | 179.9° |
C30 | C29 | N28 | N33 | 0.0° | 0.2° |
C30 | C29 | N28 | H64 | 180.0° | 179.9° |
C30 | C29 | N28 | C27 | 180.0° | 180.0° |
C29 | C30 | C31 | H65 | 90.0° | 83.6° |
C29 | C30 | C31 | H66 | 30.0° | 156.4° |
C29 | C30 | C31 | H67 | 150.0° | 36.4° |
C29 | C30 | C32 | H68 | 180.0° | 180.0° |
O7 | C6 | C5 | N4 | 10.6° | 4.4° |
O7 | C6 | C5 | H43 | 131.4° | 124.4° |
O7 | C6 | C5 | H42 | 110.2° | 115.6° |
C6 | C5 | N4 | H43 | 120.8° | 120.0° |
C6 | C5 | N4 | H42 | 120.8° | 120.0° |
C6 | C5 | N4 | C3 | 70.7° | 63.8° |
C6 | C5 | N4 | C26 | 67.5° | 59.8° |
C6 | C5 | H43 | H42 | 117.5° | 120.0° |
N33 | N28 | C29 | C27 | 179.9° | 179.7° |
N33 | N28 | C27 | C26 | 125.3° | 57.7° |
N33 | N28 | C27 | H63 | 114.1° | 177.7° |
N33 | N28 | C27 | H62 | 4.7° | 62.3° |
N33 | N28 | C29 | H64 | 180.0° | 179.7° |
N28 | N33 | C32 | H68 | 180.0° | 179.8° |
C5 | N4 | C3 | C26 | 138.8° | 123.8° |
C5 | N4 | C26 | C27 | 44.4° | 57.7° |
C5 | N4 | C3 | C2 | 167.4° | 177.6° |
C5 | N4 | C26 | C34 | 168.8° | 177.6° |
C5 | N4 | C3 | H41 | 46.9° | 62.4° |
C5 | N4 | C3 | H40 | 72.2° | 57.7° |
N4 | C5 | H43 | H42 | 117.5° | 120.0° |
C5 | N4 | C26 | H61 | 75.6° | 62.4° |
C29 | N28 | C27 | C26 | 54.7° | 122.7° |
C29 | N28 | C27 | H63 | 65.8° | 2.6° |
C29 | N28 | C27 | H62 | 175.3° | 117.4° |
N28 | C27 | C26 | N4 | 85.0° | 81.0° |
N28 | C27 | C26 | H63 | 120.6° | 120.0° |
N28 | C27 | C26 | H62 | 120.6° | 119.9° |
N28 | C27 | C26 | C34 | 152.4° | 159.2° |
N28 | C27 | C26 | H61 | 35.4° | 39.1° |
N28 | C27 | H63 | H62 | 118.2° | 120.0° |
C27 | N28 | C29 | H64 | 0.0° | 0.0° |
C3 | N4 | C26 | C27 | 178.9° | 178.5° |
N4 | C3 | C2 | H41 | 120.5° | 120.0° |
N4 | C3 | C2 | H40 | 120.4° | 119.9° |
C3 | N4 | C26 | C34 | 54.5° | 58.6° |
N4 | C3 | C2 | C1 | 172.1° | 179.2° |
N4 | C3 | C2 | N35 | 50.6° | 59.2° |
N4 | C3 | C2 | H39 | 67.8° | 60.8° |
N4 | C3 | H41 | H40 | 118.7° | 120.1° |
C3 | N4 | C5 | H43 | 168.4° | 56.2° |
C3 | N4 | C5 | H42 | 50.1° | 176.2° |
C3 | N4 | C26 | H61 | 61.1° | 61.3° |
N4 | C26 | C27 | C34 | 122.6° | 119.8° |
N4 | C26 | C27 | H61 | 120.4° | 120.1° |
C26 | N4 | C3 | C2 | 53.8° | 58.6° |
N4 | C26 | C34 | H61 | 116.0° | 120.0° |
N4 | C26 | C34 | N35 | 55.6° | 59.2° |
C26 | N4 | C3 | H41 | 174.2° | 61.4° |
C26 | N4 | C3 | H40 | 66.6° | 178.5° |
C26 | N4 | C5 | H43 | 53.4° | 179.8° |
C26 | N4 | C5 | H42 | 171.7° | 60.2° |
N4 | C26 | C27 | H63 | 154.4° | 39.0° |
N4 | C26 | C27 | H62 | 35.6° | 159.1° |
N4 | C26 | C34 | H69 | 175.8° | 179.2° |
N4 | C26 | C34 | H70 | 64.6° | 60.8° |
C27 | C26 | C34 | H61 | 116.9° | 120.1° |
C27 | C26 | C34 | N35 | 177.3° | 179.2° |
C26 | C27 | H63 | H62 | 118.2° | 120.0° |
C27 | C26 | C34 | H69 | 57.1° | 60.9° |
C27 | C26 | C34 | H70 | 62.5° | 59.1° |
C3 | C2 | C1 | N35 | 121.0° | 120.0° |
C3 | C2 | C1 | H39 | 120.1° | 120.0° |
C3 | C2 | N35 | H39 | 118.2° | 120.0° |
C3 | C2 | N35 | C34 | 54.9° | 60.7° |
C3 | C2 | C1 | H37 | 180.0° | 180.0° |
C3 | C2 | C1 | H38 | 60.0° | 60.0° |
C3 | C2 | C1 | H36 | 60.0° | 59.9° |
C2 | C3 | H41 | H40 | 118.7° | 120.0° |
C3 | C2 | N35 | H72 | 175.5° | 179.2° |
C3 | C2 | N35 | H71 | 65.6° | 59.3° |
C26 | C34 | N35 | C2 | 59.4° | 60.7° |
C26 | C34 | N35 | H69 | 120.2° | 120.0° |
C26 | C34 | N35 | H70 | 120.2° | 120.0° |
C34 | C26 | C27 | H63 | 31.8° | 80.8° |
C34 | C26 | C27 | H62 | 87.0° | 39.2° |
C26 | C34 | H69 | H70 | 119.3° | 120.0° |
C26 | C34 | N35 | H72 | 179.9° | 179.2° |
C26 | C34 | N35 | H71 | 61.2° | 59.3° |
C1 | C2 | N35 | H39 | 118.7° | 120.0° |
C1 | C2 | N35 | C34 | 178.0° | 179.3° |
C2 | C1 | H37 | H38 | 120.0° | 120.0° |
C2 | C1 | H37 | H36 | 120.0° | 120.1° |
C2 | C1 | H38 | H36 | 120.0° | 120.0° |
C1 | C2 | C3 | H41 | 67.5° | 59.2° |
C1 | C2 | C3 | H40 | 51.7° | 60.8° |
C1 | C2 | N35 | H72 | 61.5° | 59.2° |
C1 | C2 | N35 | H71 | 57.4° | 60.7° |
C2 | N35 | C34 | H72 | 120.5° | 120.1° |
C2 | N35 | C34 | H71 | 120.5° | 120.0° |
N35 | C2 | C1 | H37 | 59.0° | 59.9° |
N35 | C2 | C1 | H38 | 179.0° | 180.0° |
N35 | C2 | C1 | H36 | 61.0° | 60.1° |
N35 | C2 | C3 | H41 | 171.0° | 60.8° |
N35 | C2 | C3 | H40 | 69.8° | 179.2° |
C2 | N35 | C34 | H69 | 179.6° | 179.3° |
C2 | N35 | C34 | H70 | 60.8° | 59.3° |
C2 | N35 | H72 | H71 | 118.4° | 120.0° |
C34 | N35 | C2 | H39 | 63.3° | 59.3° |
N35 | C34 | C26 | H61 | 60.4° | 60.8° |
N35 | C34 | H69 | H70 | 119.3° | 120.0° |
C34 | N35 | H72 | H71 | 118.4° | 120.0° |
H37 | C1 | H38 | H36 | 120.0° | 119.9° |
H37 | C1 | C2 | H39 | 59.9° | 60.0° |
H38 | C1 | C2 | H39 | 60.1° | 60.0° |
H36 | C1 | C2 | H39 | 179.9° | 180.0° |
H39 | C2 | C3 | H41 | 52.6° | 179.2° |
H39 | C2 | C3 | H40 | 171.8° | 59.2° |
H39 | C2 | N35 | H72 | 57.3° | 60.7° |
H39 | C2 | N35 | H71 | 176.2° | 179.3° |
H46 | C11 | H47 | H48 | 120.0° | 119.9° |
H51 | C12 | H49 | H50 | 119.9° | 119.9° |
H55 | C19 | C20 | H56 | 0.0° | 0.0° |
H57 | C21 | C22 | H58 | 0.0° | 0.1° |
H57 | C21 | C20 | H56 | 0.0° | 0.1° |
H58 | C22 | C23 | H59 | 0.0° | 0.2° |
H61 | C26 | C27 | H63 | 85.2° | 159.1° |
H61 | C26 | C27 | H62 | 156.0° | 80.8° |
H61 | C26 | C34 | H69 | 59.9° | 59.2° |
H61 | C26 | C34 | H70 | 179.4° | 179.2° |
H65 | C31 | H66 | H67 | 120.0° | 120.0° |
H69 | C34 | N35 | H72 | 59.8° | 59.2° |
H69 | C34 | N35 | H71 | 59.1° | 60.7° |
H70 | C34 | N35 | H72 | 59.7° | 60.8° |
H70 | C34 | N35 | H71 | 178.6° | 179.3° |