QLS
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N10 | C9 | doub | 1.31Å | 1.30Å | Aromatic |
N10 | N11 | sing | 1.28Å | 1.36Å | Aromatic |
C9 | N8 | sing | 1.35Å | 1.34Å | Aromatic |
N11 | N12 | doub | 1.29Å | 1.30Å | Aromatic |
N8 | N12 | sing | 1.41Å | 1.35Å | Aromatic |
N8 | C7 | sing | 1.40Å | 1.43Å | |
C2 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
C7 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
N23 | C24 | sing | 1.34Å | 1.38Å | Aromatic |
N23 | C22 | doub | 1.30Å | 1.32Å | Aromatic |
C18 | C19 | sing | 1.53Å | 1.57Å | |
C18 | C17 | sing | 1.53Å | 1.54Å | |
C3 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
C6 | C13 | sing | 1.47Å | 1.47Å | |
C6 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
C24 | C25 | doub | 1.35Å | 1.38Å | Aromatic |
C19 | C20 | sing | 1.53Å | 1.56Å | |
C13 | C14 | doub | 1.35Å | 1.33Å | |
F44 | C41 | sing | 1.40Å | 1.32Å | |
N21 | C17 | sing | 1.46Å | 1.46Å | |
N21 | C15 | sing | 1.35Å | 1.35Å | |
C22 | C17 | sing | 1.51Å | 1.50Å | |
C22 | N26 | sing | 1.36Å | 1.34Å | Aromatic |
C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
C4 | CL1 | sing | 1.74Å | 1.74Å | |
F43 | C41 | sing | 1.40Å | 1.33Å | |
C14 | C15 | sing | 1.46Å | 1.48Å | |
C25 | N26 | sing | 1.38Å | 1.37Å | Aromatic |
C25 | C27 | sing | 1.48Å | 1.46Å | |
C41 | C39 | sing | 1.53Å | 1.52Å | |
C41 | F42 | sing | 1.40Å | 1.33Å | |
C20 | C38 | sing | 1.53Å | 1.54Å | |
C15 | O16 | doub | 1.22Å | 1.24Å | |
C39 | C38 | sing | 1.54Å | 1.54Å | |
C39 | N40 | sing | 1.46Å | 1.46Å | |
C27 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
C27 | C32 | sing | 1.41Å | 1.41Å | Aromatic |
C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
N40 | C32 | sing | 1.39Å | 1.41Å | |
C32 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
C29 | C30 | doub | 1.39Å | 1.39Å | Aromatic |
C31 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
C30 | N33 | sing | 1.40Å | 1.42Å | |
O35 | C34 | doub | 1.22Å | 1.21Å | |
N33 | C34 | sing | 1.35Å | 1.36Å | |
C34 | O36 | sing | 1.35Å | 1.35Å | |
O36 | C37 | sing | 1.45Å | 1.45Å | |
C13 | H49 | sing | 1.08Å | 1.08Å | |
C18 | H53 | sing | 1.09Å | 1.10Å | |
C18 | H52 | sing | 1.09Å | 1.10Å | |
C17 | H51 | sing | 1.09Å | 1.10Å | |
C19 | H54 | sing | 1.09Å | 1.10Å | |
C19 | H55 | sing | 1.09Å | 1.10Å | |
C20 | H57 | sing | 1.09Å | 1.10Å | |
C20 | H56 | sing | 1.09Å | 1.10Å | |
C24 | H59 | sing | 1.08Å | 1.08Å | |
C2 | H45 | sing | 1.08Å | 1.08Å | |
C3 | H46 | sing | 1.08Å | 1.08Å | |
C5 | H47 | sing | 1.08Å | 1.08Å | |
C9 | H48 | sing | 1.08Å | 1.08Å | |
C14 | H50 | sing | 1.08Å | 1.08Å | |
N21 | H58 | sing | 0.97Å | 1.00Å | |
N26 | H70 | sing | 0.97Å | 1.00Å | |
C28 | H60 | sing | 1.08Å | 1.08Å | |
C29 | H61 | sing | 1.08Å | 1.08Å | |
C31 | H62 | sing | 1.08Å | 1.08Å | |
N33 | H63 | sing | 0.97Å | 1.00Å | |
C37 | H65 | sing | 1.09Å | 1.10Å | |
C37 | H66 | sing | 1.09Å | 1.10Å | |
C37 | H64 | sing | 1.09Å | 1.10Å | |
C38 | H68 | sing | 1.09Å | 1.10Å | |
C38 | H67 | sing | 1.09Å | 1.10Å | |
C39 | H69 | sing | 1.09Å | 1.10Å | |
N40 | H71 | sing | 0.98Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C9 | N10 | N11 | 105.7° | 110.6° |
N10 | C9 | N8 | 109.7° | 107.3° |
N10 | C9 | H48 | 125.2° | 126.3° |
N10 | N11 | N12 | 110.9° | 110.2° |
C9 | N8 | N12 | 107.5° | 105.2° |
C9 | N8 | C7 | 132.0° | 127.4° |
N8 | C9 | H48 | 125.2° | 126.4° |
N11 | N12 | N8 | 106.3° | 106.7° |
N12 | N8 | C7 | 120.3° | 127.4° |
N8 | C7 | C2 | 119.0° | 120.2° |
N8 | C7 | C6 | 120.9° | 120.1° |
C7 | C2 | C3 | 120.3° | 120.1° |
C2 | C7 | C6 | 120.1° | 119.7° |
C7 | C2 | H45 | 119.9° | 119.9° |
C2 | C3 | C4 | 119.3° | 120.4° |
C3 | C2 | H45 | 119.8° | 120.0° |
C2 | C3 | H46 | 120.3° | 119.8° |
C7 | C6 | C13 | 123.1° | 120.2° |
C7 | C6 | C5 | 118.9° | 119.6° |
C24 | N23 | C22 | 105.0° | 109.4° |
N23 | C24 | C25 | 109.8° | 108.1° |
N23 | C24 | H59 | 125.1° | 125.9° |
N23 | C22 | C17 | 125.5° | 127.0° |
N23 | C22 | N26 | 112.1° | 108.6° |
C19 | C18 | C17 | 113.7° | 111.2° |
C18 | C19 | C20 | 117.2° | 109.3° |
C19 | C18 | H53 | 108.4° | 109.3° |
C19 | C18 | H52 | 108.4° | 109.1° |
C18 | C19 | H54 | 107.5° | 109.4° |
C18 | C19 | H55 | 107.5° | 110.0° |
C18 | C17 | N21 | 114.2° | 109.7° |
C18 | C17 | C22 | 109.7° | 109.9° |
C17 | C18 | H53 | 108.4° | 109.3° |
C17 | C18 | H52 | 108.4° | 109.2° |
C18 | C17 | H51 | 105.4° | 109.3° |
C3 | C4 | C5 | 121.5° | 120.3° |
C3 | C4 | CL1 | 119.3° | 119.8° |
C4 | C3 | H46 | 120.4° | 119.8° |
C13 | C6 | C5 | 117.9° | 120.2° |
C6 | C13 | C14 | 125.2° | 120.0° |
C6 | C13 | H49 | 117.4° | 120.0° |
C6 | C5 | C4 | 119.8° | 119.9° |
C6 | C5 | H47 | 120.1° | 120.0° |
C24 | C25 | N26 | 105.5° | 106.1° |
C24 | C25 | C27 | 133.2° | 130.1° |
C25 | C24 | H59 | 125.1° | 126.0° |
C19 | C20 | C38 | 115.8° | 110.7° |
C20 | C19 | H54 | 107.5° | 109.2° |
C20 | C19 | H55 | 107.5° | 109.5° |
C19 | C20 | H57 | 107.9° | 108.8° |
C19 | C20 | H56 | 107.9° | 108.6° |
C13 | C14 | C15 | 128.5° | 119.9° |
C14 | C13 | H49 | 117.4° | 120.0° |
C13 | C14 | H50 | 115.7° | 120.0° |
F44 | C41 | F43 | 106.8° | 109.5° |
F44 | C41 | C39 | 111.9° | 109.5° |
F44 | C41 | F42 | 106.3° | 109.5° |
C17 | N21 | C15 | 118.2° | 120.0° |
N21 | C17 | C22 | 114.6° | 109.6° |
N21 | C17 | H51 | 106.2° | 109.0° |
C17 | N21 | H58 | 120.9° | 120.0° |
N21 | C15 | C14 | 116.3° | 120.0° |
N21 | C15 | O16 | 121.8° | 120.0° |
C15 | N21 | H58 | 120.9° | 120.0° |
C17 | C22 | N26 | 121.8° | 124.4° |
C22 | C17 | H51 | 105.8° | 109.3° |
C22 | N26 | C25 | 107.6° | 106.9° |
C22 | N26 | H70 | 126.2° | 126.5° |
C5 | C4 | CL1 | 119.1° | 119.9° |
C4 | C5 | H47 | 120.1° | 120.1° |
F43 | C41 | C39 | 112.0° | 109.5° |
F43 | C41 | F42 | 106.4° | 109.5° |
C14 | C15 | O16 | 121.9° | 120.0° |
C15 | C14 | H50 | 115.7° | 120.0° |
N26 | C25 | C27 | 121.0° | 123.8° |
C25 | N26 | H70 | 126.2° | 126.6° |
C25 | C27 | C28 | 119.7° | 122.1° |
C25 | C27 | C32 | 120.5° | 117.8° |
C39 | C41 | F42 | 112.9° | 109.5° |
C41 | C39 | C38 | 111.5° | 110.2° |
C41 | C39 | N40 | 111.2° | 111.0° |
C41 | C39 | H69 | 107.3° | 109.2° |
C20 | C38 | C39 | 114.5° | 110.8° |
C38 | C20 | H57 | 107.9° | 110.9° |
C38 | C20 | H56 | 107.9° | 109.2° |
C20 | C38 | H68 | 108.2° | 109.3° |
C20 | C38 | H67 | 108.2° | 109.5° |
C38 | C39 | N40 | 111.5° | 107.9° |
C39 | C38 | H68 | 108.2° | 109.1° |
C39 | C38 | H67 | 108.2° | 109.4° |
C38 | C39 | H69 | 107.1° | 109.1° |
C39 | N40 | C32 | 125.9° | 124.5° |
N40 | C39 | H69 | 108.0° | 109.4° |
C39 | N40 | H71 | 105.3° | 117.2° |
C28 | C27 | C32 | 119.7° | 120.1° |
C27 | C28 | C29 | 120.6° | 120.0° |
C27 | C28 | H60 | 119.7° | 120.0° |
C27 | C32 | N40 | 118.8° | 117.6° |
C27 | C32 | C31 | 119.0° | 119.6° |
C28 | C29 | C30 | 120.3° | 120.1° |
C29 | C28 | H60 | 119.7° | 120.1° |
C28 | C29 | H61 | 119.9° | 120.0° |
N40 | C32 | C31 | 122.1° | 122.7° |
C32 | N40 | H71 | 105.2° | 118.2° |
C32 | C31 | C30 | 120.9° | 120.0° |
C32 | C31 | H62 | 119.5° | 120.2° |
C29 | C30 | C31 | 119.5° | 120.3° |
C29 | C30 | N33 | 122.4° | 119.8° |
C30 | C29 | H61 | 119.9° | 119.9° |
C31 | C30 | N33 | 118.1° | 119.9° |
C30 | C31 | H62 | 119.6° | 119.8° |
C30 | N33 | C34 | 126.9° | 120.0° |
C30 | N33 | H63 | 116.6° | 120.0° |
O35 | C34 | N33 | 126.1° | 120.0° |
O35 | C34 | O36 | 124.1° | 120.0° |
N33 | C34 | O36 | 109.7° | 120.0° |
C34 | N33 | H63 | 116.6° | 120.0° |
C34 | O36 | C37 | 115.9° | 117.0° |
O36 | C37 | H65 | 109.5° | 109.5° |
O36 | C37 | H66 | 109.5° | 109.5° |
O36 | C37 | H64 | 109.5° | 109.5° |
H53 | C18 | H52 | 109.5° | 108.8° |
H54 | C19 | H55 | 109.5° | 109.5° |
H57 | C20 | H56 | 109.5° | 108.6° |
H65 | C37 | H66 | 109.5° | 109.5° |
H65 | C37 | H64 | 109.4° | 109.5° |
H66 | C37 | H64 | 109.5° | 109.4° |
H68 | C38 | H67 | 109.5° | 108.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N10 | C9 | N8 | H48 | 180.0° | 180.0° |
C9 | N10 | N11 | N12 | 0.9° | 0.1° |
N10 | C9 | N8 | N12 | 0.7° | 0.0° |
N10 | C9 | N8 | C7 | 175.5° | 179.8° |
N11 | N10 | C9 | N8 | 1.0° | 0.0° |
N10 | N11 | N12 | N8 | 0.5° | 0.1° |
N11 | N10 | C9 | H48 | 179.0° | 180.0° |
C9 | N8 | N12 | N11 | 0.1° | 0.1° |
C9 | N8 | N12 | C7 | 176.7° | 179.8° |
C9 | N8 | C7 | C2 | 59.8° | 50.2° |
C9 | N8 | C7 | C6 | 118.5° | 129.7° |
N11 | N12 | N8 | C7 | 176.6° | 179.7° |
N12 | N8 | C7 | C2 | 124.4° | 129.6° |
N12 | N8 | C7 | C6 | 57.3° | 50.5° |
N12 | N8 | C9 | H48 | 179.3° | 180.0° |
N8 | C7 | C2 | C6 | 178.3° | 179.9° |
N8 | C7 | C2 | C3 | 176.9° | 180.0° |
N8 | C7 | C6 | C13 | 6.8° | 0.1° |
N8 | C7 | C6 | C5 | 177.1° | 180.0° |
N8 | C7 | C2 | H45 | 3.1° | 0.2° |
C7 | N8 | C9 | H48 | 4.5° | 0.2° |
C7 | C2 | C3 | H45 | 180.0° | 179.8° |
C7 | C2 | C3 | C4 | 1.0° | 0.1° |
C2 | C7 | C6 | C13 | 174.9° | 180.0° |
C2 | C7 | C6 | C5 | 1.2° | 0.1° |
C7 | C2 | C3 | H46 | 179.0° | 180.0° |
C3 | C2 | C7 | C6 | 1.5° | 0.1° |
C2 | C3 | C4 | H46 | 180.0° | 180.0° |
C2 | C3 | C4 | C5 | 0.4° | 0.0° |
C2 | C3 | C4 | CL1 | 179.8° | 180.0° |
C7 | C6 | C13 | C5 | 176.1° | 179.9° |
C7 | C6 | C13 | C14 | 117.4° | 172.8° |
C7 | C6 | C5 | C4 | 0.5° | 0.0° |
C7 | C6 | C13 | H49 | 62.6° | 7.5° |
C6 | C7 | C2 | H45 | 178.5° | 179.7° |
C7 | C6 | C5 | H47 | 179.4° | 179.9° |
N23 | C24 | C25 | H59 | 180.0° | 177.8° |
C24 | N23 | C22 | C17 | 169.6° | 177.4° |
C24 | N23 | C22 | N26 | 1.9° | 3.6° |
N23 | C24 | C25 | N26 | 0.4° | 7.3° |
N23 | C24 | C25 | C27 | 172.8° | 173.0° |
N23 | C22 | C17 | C18 | 58.0° | 179.3° |
C22 | N23 | C24 | C25 | 0.8° | 2.4° |
N23 | C22 | C17 | N21 | 72.0° | 60.1° |
N23 | C22 | C17 | N26 | 170.7° | 178.8° |
N23 | C22 | N26 | C25 | 2.2° | 8.1° |
N23 | C22 | C17 | H51 | 171.3° | 59.3° |
C22 | N23 | C24 | H59 | 179.2° | 179.9° |
N23 | C22 | N26 | H70 | 177.8° | 169.7° |
C19 | C18 | C17 | H53 | 120.7° | 120.7° |
C19 | C18 | C17 | H52 | 120.6° | 120.5° |
C18 | C19 | C20 | H54 | 121.1° | 119.6° |
C18 | C19 | C20 | H55 | 121.1° | 120.5° |
C19 | C18 | C17 | N21 | 179.7° | 57.2° |
C19 | C18 | C17 | C22 | 50.1° | 63.5° |
C18 | C19 | C20 | C38 | 158.2° | 165.0° |
C19 | C18 | H53 | H52 | 118.1° | 119.0° |
C19 | C18 | C17 | H51 | 63.4° | 176.6° |
C18 | C19 | H54 | H55 | 116.5° | 120.6° |
C18 | C19 | C20 | H57 | 37.3° | 43.0° |
C18 | C19 | C20 | H56 | 80.9° | 75.1° |
C17 | C18 | C19 | C20 | 49.4° | 138.8° |
C18 | C17 | N21 | C22 | 127.8° | 120.8° |
C18 | C17 | N21 | H51 | 115.8° | 119.6° |
C18 | C17 | N21 | C15 | 161.1° | 155.0° |
C18 | C17 | C22 | H51 | 113.3° | 120.0° |
C18 | C17 | C22 | N26 | 112.6° | 0.4° |
C17 | C18 | H53 | H52 | 118.0° | 119.1° |
C17 | C18 | C19 | H54 | 170.5° | 101.8° |
C17 | C18 | C19 | H55 | 71.7° | 18.5° |
C18 | C17 | N21 | H58 | 18.9° | 25.0° |
C3 | C4 | C5 | C6 | 0.1° | 0.0° |
C3 | C4 | C5 | CL1 | 179.4° | 180.0° |
C4 | C3 | C2 | H45 | 178.9° | 179.7° |
C3 | C4 | C5 | H47 | 179.8° | 179.9° |
C6 | C13 | C14 | H49 | 180.0° | 179.7° |
C13 | C6 | C5 | C4 | 175.8° | 180.0° |
C6 | C13 | C14 | C15 | 179.5° | 179.7° |
C13 | C6 | C5 | H47 | 4.3° | 0.1° |
C6 | C13 | C14 | H50 | 0.5° | 0.3° |
C5 | C6 | C13 | C14 | 58.8° | 7.1° |
C6 | C5 | C4 | H47 | 180.0° | 179.9° |
C6 | C5 | C4 | CL1 | 179.6° | 180.0° |
C5 | C6 | C13 | H49 | 121.2° | 172.6° |
C24 | C25 | N26 | C22 | 1.5° | 9.3° |
C24 | C25 | N26 | C27 | 174.3° | 179.8° |
C24 | C25 | C27 | C28 | 53.9° | 25.4° |
C24 | C25 | C27 | C32 | 129.9° | 153.6° |
C24 | C25 | N26 | H70 | 178.5° | 168.4° |
C19 | C20 | C38 | H57 | 120.9° | 120.8° |
C19 | C20 | C38 | H56 | 120.9° | 119.6° |
C19 | C20 | C38 | C39 | 68.4° | 110.3° |
C20 | C19 | C18 | H53 | 170.0° | 18.1° |
C20 | C19 | C18 | H52 | 71.2° | 100.7° |
C20 | C19 | H54 | H55 | 116.5° | 119.9° |
C19 | C20 | H57 | H56 | 117.1° | 118.1° |
C19 | C20 | C38 | H68 | 170.9° | 129.4° |
C19 | C20 | C38 | H67 | 52.3° | 10.4° |
C13 | C14 | C15 | N21 | 8.7° | 180.0° |
C13 | C14 | C15 | H50 | 180.0° | 180.0° |
C13 | C14 | C15 | O16 | 167.9° | 0.0° |
F44 | C41 | F43 | C39 | 122.9° | 120.0° |
F44 | C41 | F43 | F42 | 113.2° | 120.0° |
F44 | C41 | C39 | F42 | 119.9° | 120.0° |
F44 | C41 | C39 | C38 | 57.7° | 66.1° |
F44 | C41 | C39 | N40 | 177.3° | 53.4° |
F44 | C41 | C39 | H69 | 59.3° | 174.1° |
C17 | N21 | C15 | H58 | 180.0° | 179.9° |
N21 | C17 | C22 | H51 | 116.7° | 119.4° |
N21 | C17 | C22 | N26 | 117.3° | 121.1° |
C17 | N21 | C15 | C14 | 178.1° | 180.0° |
C17 | N21 | C15 | O16 | 1.5° | 0.1° |
N21 | C17 | C18 | H53 | 59.6° | 177.8° |
N21 | C17 | C18 | H52 | 59.1° | 63.3° |
C15 | N21 | C17 | C22 | 71.2° | 84.2° |
N21 | C15 | C14 | O16 | 176.6° | 180.0° |
C15 | N21 | C17 | H51 | 45.3° | 35.4° |
N21 | C15 | C14 | H50 | 171.3° | 0.0° |
C17 | C22 | N26 | C25 | 169.6° | 172.9° |
C22 | C17 | C18 | H53 | 70.6° | 57.2° |
C22 | C17 | C18 | H52 | 170.7° | 176.1° |
C22 | C17 | N21 | H58 | 108.8° | 95.8° |
C17 | C22 | N26 | H70 | 10.4° | 9.4° |
C22 | N26 | C25 | H70 | 180.0° | 177.8° |
C22 | N26 | C25 | C27 | 172.7° | 170.9° |
N26 | C22 | C17 | H51 | 0.6° | 119.5° |
C5 | C4 | C3 | H46 | 179.6° | 180.0° |
CL1 | C4 | C3 | H46 | 0.2° | 0.0° |
CL1 | C4 | C5 | H47 | 0.4° | 0.1° |
F43 | C41 | C39 | F42 | 120.1° | 120.0° |
F43 | C41 | C39 | C38 | 177.7° | 173.9° |
F43 | C41 | C39 | N40 | 57.3° | 66.6° |
F43 | C41 | C39 | H69 | 60.7° | 54.1° |
C15 | C14 | C13 | H49 | 0.5° | 0.0° |
C14 | C15 | N21 | H58 | 1.9° | 0.0° |
N26 | C25 | C27 | C28 | 133.6° | 154.3° |
N26 | C25 | C27 | C32 | 42.5° | 26.7° |
N26 | C25 | C24 | H59 | 179.6° | 175.0° |
C25 | C27 | C28 | C32 | 176.2° | 178.9° |
C25 | C27 | C28 | C29 | 174.0° | 179.7° |
C25 | C27 | C32 | N40 | 7.9° | 2.7° |
C25 | C27 | C32 | C31 | 174.2° | 180.0° |
C27 | C25 | C24 | H59 | 7.2° | 4.8° |
C27 | C25 | N26 | H70 | 7.3° | 11.3° |
C25 | C27 | C28 | H60 | 5.9° | 0.4° |
C41 | C39 | C38 | C20 | 158.6° | 63.3° |
C41 | C39 | C38 | N40 | 124.9° | 121.4° |
C41 | C39 | C38 | H69 | 117.1° | 119.9° |
C41 | C39 | N40 | H69 | 117.5° | 120.6° |
C41 | C39 | N40 | C32 | 60.9° | 57.7° |
C41 | C39 | C38 | H68 | 80.7° | 57.1° |
C41 | C39 | C38 | H67 | 37.9° | 175.9° |
C41 | C39 | N40 | H71 | 177.0° | 126.1° |
F42 | C41 | C39 | C38 | 62.2° | 53.9° |
F42 | C41 | C39 | N40 | 62.8° | 173.4° |
F42 | C41 | C39 | H69 | 179.2° | 65.9° |
C20 | C38 | C39 | H68 | 120.7° | 120.4° |
C20 | C38 | C39 | H67 | 120.7° | 120.9° |
C20 | C38 | C39 | N40 | 76.5° | 58.1° |
C38 | C20 | C19 | H54 | 80.7° | 75.3° |
C38 | C20 | C19 | H55 | 37.1° | 44.5° |
C38 | C20 | H57 | H56 | 117.1° | 119.9° |
C20 | C38 | H68 | H67 | 117.7° | 119.5° |
C20 | C38 | C39 | H69 | 41.5° | 176.9° |
O16 | C15 | C14 | H50 | 12.1° | 180.0° |
O16 | C15 | N21 | H58 | 178.5° | 180.0° |
C38 | C39 | N40 | H69 | 117.4° | 118.6° |
C38 | C39 | N40 | C32 | 174.1° | 178.5° |
C39 | C38 | C20 | H57 | 52.5° | 10.5° |
C39 | C38 | C20 | H56 | 170.7° | 130.1° |
C39 | C38 | H68 | H67 | 117.7° | 119.2° |
C38 | C39 | N40 | H71 | 51.9° | 5.2° |
C39 | N40 | C32 | C27 | 66.5° | 163.1° |
C39 | N40 | C32 | H71 | 122.2° | 176.2° |
C39 | N40 | C32 | C31 | 111.3° | 19.7° |
N40 | C39 | C38 | H68 | 44.2° | 178.5° |
N40 | C39 | C38 | H67 | 162.8° | 62.8° |
C27 | C28 | C29 | H60 | 180.0° | 180.0° |
C28 | C27 | C32 | N40 | 175.9° | 176.3° |
C28 | C27 | C32 | C31 | 1.9° | 1.0° |
C27 | C28 | C29 | C30 | 0.4° | 0.0° |
C27 | C28 | C29 | H61 | 179.6° | 179.9° |
C32 | C27 | C28 | C29 | 2.2° | 0.7° |
C27 | C32 | N40 | C31 | 177.8° | 177.2° |
C27 | C32 | C31 | C30 | 0.0° | 0.6° |
C32 | C27 | C28 | H60 | 177.9° | 179.3° |
C27 | C32 | C31 | H62 | 180.0° | 179.8° |
C27 | C32 | N40 | H71 | 55.7° | 20.7° |
C28 | C29 | C30 | H61 | 180.0° | 179.9° |
C28 | C29 | C30 | C31 | 1.5° | 0.5° |
C28 | C29 | C30 | N33 | 175.7° | 179.7° |
N40 | C32 | C31 | C30 | 177.8° | 176.6° |
N40 | C32 | C31 | H62 | 2.2° | 3.1° |
C32 | N40 | C39 | H69 | 56.7° | 62.9° |
C32 | C31 | C30 | C29 | 1.8° | 0.2° |
C32 | C31 | C30 | H62 | 180.0° | 179.6° |
C32 | C31 | C30 | N33 | 175.6° | 180.0° |
C31 | C32 | N40 | H71 | 126.5° | 156.5° |
C29 | C30 | C31 | N33 | 177.4° | 179.9° |
C29 | C30 | N33 | C34 | 27.6° | 142.1° |
C30 | C29 | C28 | H60 | 179.6° | 180.0° |
C29 | C30 | C31 | H62 | 178.2° | 179.5° |
C29 | C30 | N33 | H63 | 152.4° | 37.8° |
C31 | C30 | N33 | C34 | 155.1° | 37.7° |
C31 | C30 | C29 | H61 | 178.5° | 179.5° |
C31 | C30 | N33 | H63 | 24.9° | 142.3° |
C30 | N33 | C34 | O35 | 0.9° | 5.0° |
C30 | N33 | C34 | H63 | 180.0° | 180.0° |
C30 | N33 | C34 | O36 | 179.5° | 175.0° |
N33 | C30 | C29 | H61 | 4.3° | 0.4° |
N33 | C30 | C31 | H62 | 4.4° | 0.4° |
O35 | C34 | N33 | O36 | 178.7° | 180.0° |
O35 | C34 | O36 | C37 | 0.6° | 0.0° |
O35 | C34 | N33 | H63 | 179.2° | 174.9° |
N33 | C34 | O36 | C37 | 178.1° | 180.0° |
O36 | C34 | N33 | H63 | 0.5° | 5.1° |
C34 | O36 | C37 | H65 | 180.0° | 60.0° |
C34 | O36 | C37 | H66 | 60.0° | 60.0° |
C34 | O36 | C37 | H64 | 60.0° | 180.0° |
O36 | C37 | H65 | H66 | 120.0° | 120.0° |
O36 | C37 | H65 | H64 | 120.0° | 120.0° |
O36 | C37 | H66 | H64 | 120.0° | 120.0° |
H49 | C13 | C14 | H50 | 179.5° | 180.0° |
H53 | C18 | C17 | H51 | 175.9° | 62.7° |
H53 | C18 | C19 | H54 | 68.9° | 137.5° |
H53 | C18 | C19 | H55 | 48.9° | 102.2° |
H52 | C18 | C17 | H51 | 57.2° | 56.1° |
H52 | C18 | C19 | H54 | 49.9° | 18.7° |
H52 | C18 | C19 | H55 | 167.7° | 139.0° |
H51 | C17 | N21 | H58 | 134.7° | 144.7° |
H54 | C19 | C20 | H57 | 158.4° | 162.6° |
H54 | C19 | C20 | H56 | 40.2° | 44.5° |
H55 | C19 | C20 | H57 | 83.8° | 77.5° |
H55 | C19 | C20 | H56 | 158.0° | 164.4° |
H57 | C20 | C38 | H68 | 68.2° | 109.8° |
H57 | C20 | C38 | H67 | 173.2° | 131.2° |
H56 | C20 | C38 | H68 | 50.0° | 9.8° |
H56 | C20 | C38 | H67 | 68.6° | 109.1° |
H45 | C2 | C3 | H46 | 1.1° | 0.2° |
H60 | C28 | C29 | H61 | 0.4° | 0.1° |
H65 | C37 | H66 | H64 | 120.0° | 120.0° |
H68 | C38 | C39 | H69 | 162.2° | 62.7° |
H67 | C38 | C39 | H69 | 79.3° | 56.0° |
H69 | C39 | N40 | H71 | 65.5° | 113.4° |