9ZM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N14 | C13 | doub | 1.31Å | 1.31Å | Aromatic |
N14 | N15 | sing | 1.28Å | 1.36Å | Aromatic |
C13 | N12 | sing | 1.35Å | 1.34Å | Aromatic |
N15 | N16 | doub | 1.29Å | 1.30Å | Aromatic |
C40 | C41 | doub | 1.39Å | 1.38Å | Aromatic |
C40 | C39 | sing | 1.39Å | 1.38Å | Aromatic |
C41 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
N12 | N16 | sing | 1.41Å | 1.35Å | Aromatic |
N12 | C7 | sing | 1.40Å | 1.43Å | |
F47 | C39 | sing | 1.35Å | 1.35Å | |
C39 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
C36 | C19 | sing | 1.51Å | 1.51Å | |
C36 | N37 | doub | 1.32Å | 1.35Å | Aromatic |
C19 | C18 | sing | 1.53Å | 1.54Å | |
C8 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
C7 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
N21 | C22 | sing | 1.37Å | 1.36Å | Aromatic |
N21 | C20 | sing | 1.35Å | 1.35Å | Aromatic |
C22 | C23 | doub | 1.36Å | 1.36Å | Aromatic |
C9 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
C6 | C5 | sing | 1.47Å | 1.47Å | |
C6 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
C38 | N37 | sing | 1.32Å | 1.35Å | Aromatic |
C38 | C42 | sing | 1.51Å | 1.51Å | |
C5 | C4 | doub | 1.35Å | 1.33Å | |
N2 | C18 | sing | 1.46Å | 1.46Å | |
N2 | C3 | sing | 1.35Å | 1.35Å | |
C18 | C20 | sing | 1.51Å | 1.51Å | |
C20 | N24 | doub | 1.31Å | 1.32Å | Aromatic |
C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
C10 | CL1 | sing | 1.74Å | 1.75Å | |
C23 | N24 | sing | 1.35Å | 1.41Å | Aromatic |
C23 | C25 | sing | 1.48Å | 1.47Å | |
O46 | C44 | doub | 1.21Å | 1.23Å | |
C4 | C3 | sing | 1.46Å | 1.48Å | |
C3 | O17 | doub | 1.22Å | 1.24Å | |
C42 | C43 | sing | 1.53Å | 1.53Å | |
C26 | C25 | doub | 1.40Å | 1.40Å | Aromatic |
C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
C25 | C30 | sing | 1.39Å | 1.42Å | Aromatic |
C44 | C43 | sing | 1.51Å | 1.51Å | |
C44 | N45 | sing | 1.35Å | 1.35Å | |
C27 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
C30 | N45 | sing | 1.40Å | 1.41Å | |
C30 | C29 | doub | 1.40Å | 1.39Å | Aromatic |
C28 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
C28 | N31 | sing | 1.40Å | 1.42Å | |
O33 | C32 | doub | 1.22Å | 1.21Å | |
C32 | N31 | sing | 1.35Å | 1.36Å | |
C32 | O34 | sing | 1.35Å | 1.34Å | |
O34 | C35 | sing | 1.45Å | 1.45Å | |
C13 | H54 | sing | 1.08Å | 1.08Å | |
C18 | H55 | sing | 1.09Å | 1.10Å | |
C19 | H57 | sing | 1.09Å | 1.10Å | |
C19 | H56 | sing | 1.09Å | 1.10Å | |
C22 | H59 | sing | 1.08Å | 1.08Å | |
C11 | H53 | sing | 1.08Å | 1.08Å | |
C27 | H61 | sing | 1.08Å | 1.08Å | |
N2 | H48 | sing | 0.97Å | 1.00Å | |
C4 | H49 | sing | 1.08Å | 1.08Å | |
C5 | H50 | sing | 1.08Å | 1.08Å | |
C8 | H51 | sing | 1.08Å | 1.08Å | |
C9 | H52 | sing | 1.08Å | 1.08Å | |
N21 | H58 | sing | 0.97Å | 1.00Å | |
C26 | H60 | sing | 1.08Å | 1.08Å | |
C29 | H62 | sing | 1.08Å | 1.08Å | |
N31 | H63 | sing | 0.97Å | 1.00Å | |
C35 | H64 | sing | 1.09Å | 1.10Å | |
C35 | H65 | sing | 1.09Å | 1.10Å | |
C35 | H66 | sing | 1.09Å | 1.10Å | |
C40 | H67 | sing | 1.08Å | 1.08Å | |
C41 | H68 | sing | 1.08Å | 1.08Å | |
C42 | H70 | sing | 1.09Å | 1.10Å | |
C42 | H69 | sing | 1.09Å | 1.10Å | |
C43 | H71 | sing | 1.09Å | 1.10Å | |
C43 | H72 | sing | 1.09Å | 1.10Å | |
N45 | H73 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C13 | N14 | N15 | 105.5° | 110.6° |
N14 | C13 | N12 | 109.8° | 107.3° |
N14 | C13 | H54 | 125.1° | 126.4° |
N14 | N15 | N16 | 111.0° | 110.2° |
C13 | N12 | N16 | 107.5° | 105.2° |
C13 | N12 | C7 | 131.9° | 127.4° |
N12 | C13 | H54 | 125.1° | 126.4° |
N15 | N16 | N12 | 106.2° | 106.7° |
C41 | C40 | C39 | 119.1° | 118.5° |
C40 | C41 | C36 | 118.8° | 119.1° |
C41 | C40 | H67 | 120.5° | 120.7° |
C40 | C41 | H68 | 120.6° | 120.5° |
C40 | C39 | F47 | 119.3° | 120.5° |
C40 | C39 | C38 | 119.6° | 119.0° |
C39 | C40 | H67 | 120.4° | 120.8° |
C41 | C36 | C19 | 119.6° | 120.1° |
C41 | C36 | N37 | 122.3° | 120.9° |
C36 | C41 | H68 | 120.6° | 120.4° |
N16 | N12 | C7 | 120.6° | 127.4° |
N12 | C7 | C8 | 118.9° | 120.2° |
N12 | C7 | C6 | 121.0° | 120.1° |
F47 | C39 | C38 | 121.0° | 120.5° |
C39 | C38 | N37 | 121.4° | 120.8° |
C39 | C38 | C42 | 121.0° | 120.1° |
C19 | C36 | N37 | 118.0° | 119.0° |
C36 | C19 | C18 | 117.1° | 109.0° |
C36 | C19 | H57 | 107.5° | 109.5° |
C36 | C19 | H56 | 107.5° | 109.6° |
C36 | N37 | C38 | 118.7° | 121.7° |
C19 | C18 | N2 | 112.2° | 109.3° |
C19 | C18 | C20 | 111.4° | 110.2° |
C19 | C18 | H55 | 107.3° | 109.3° |
C18 | C19 | H57 | 107.5° | 109.6° |
C18 | C19 | H56 | 107.6° | 109.6° |
C7 | C8 | C9 | 120.4° | 120.1° |
C8 | C7 | C6 | 119.9° | 119.7° |
C7 | C8 | H51 | 119.8° | 119.9° |
C8 | C9 | C10 | 119.3° | 120.4° |
C9 | C8 | H51 | 119.8° | 120.0° |
C8 | C9 | H52 | 120.3° | 119.8° |
C7 | C6 | C5 | 122.1° | 120.2° |
C7 | C6 | C11 | 119.0° | 119.6° |
C22 | N21 | C20 | 107.5° | 107.4° |
N21 | C22 | C23 | 107.2° | 106.6° |
N21 | C22 | H59 | 126.4° | 126.7° |
C22 | N21 | H58 | 126.3° | 126.3° |
N21 | C20 | C18 | 123.7° | 125.1° |
N21 | C20 | N24 | 111.6° | 109.0° |
C20 | N21 | H58 | 126.2° | 126.3° |
C22 | C23 | N24 | 108.3° | 107.7° |
C22 | C23 | C25 | 131.1° | 124.3° |
C23 | C22 | H59 | 126.4° | 126.7° |
C9 | C10 | C11 | 121.5° | 120.4° |
C9 | C10 | CL1 | 119.3° | 119.8° |
C10 | C9 | H52 | 120.3° | 119.8° |
C5 | C6 | C11 | 118.8° | 120.2° |
C6 | C5 | C4 | 126.2° | 120.0° |
C6 | C5 | H50 | 116.9° | 120.0° |
C6 | C11 | C10 | 119.8° | 119.8° |
C6 | C11 | H53 | 120.1° | 120.0° |
N37 | C38 | C42 | 117.6° | 119.1° |
C38 | C42 | C43 | 113.1° | 108.8° |
C38 | C42 | H70 | 108.6° | 109.6° |
C38 | C42 | H69 | 108.6° | 109.6° |
C5 | C4 | C3 | 125.8° | 120.0° |
C5 | C4 | H49 | 117.1° | 120.0° |
C4 | C5 | H50 | 116.9° | 120.0° |
C18 | N2 | C3 | 120.5° | 120.0° |
N2 | C18 | C20 | 109.9° | 109.4° |
N2 | C18 | H55 | 108.2° | 109.4° |
C18 | N2 | H48 | 119.8° | 120.0° |
N2 | C3 | C4 | 116.0° | 120.0° |
N2 | C3 | O17 | 121.8° | 120.0° |
C3 | N2 | H48 | 119.8° | 120.0° |
C18 | C20 | N24 | 124.5° | 126.0° |
C20 | C18 | H55 | 107.6° | 109.3° |
C20 | N24 | C23 | 105.4° | 109.2° |
C11 | C10 | CL1 | 119.2° | 119.8° |
C10 | C11 | H53 | 120.1° | 120.1° |
N24 | C23 | C25 | 120.6° | 127.9° |
C23 | C25 | C26 | 118.7° | 117.4° |
C23 | C25 | C30 | 122.7° | 122.9° |
O46 | C44 | C43 | 122.0° | 120.6° |
O46 | C44 | N45 | 123.3° | 120.6° |
C4 | C3 | O17 | 122.1° | 120.0° |
C3 | C4 | H49 | 117.1° | 120.0° |
C42 | C43 | C44 | 111.1° | 110.1° |
C43 | C42 | H70 | 108.6° | 109.6° |
C43 | C42 | H69 | 108.5° | 109.6° |
C42 | C43 | H71 | 109.1° | 109.4° |
C42 | C43 | H72 | 109.1° | 109.4° |
C25 | C26 | C27 | 121.0° | 120.4° |
C26 | C25 | C30 | 118.6° | 119.7° |
C25 | C26 | H60 | 119.5° | 119.8° |
C26 | C27 | C28 | 120.3° | 120.1° |
C26 | C27 | H61 | 119.8° | 119.9° |
C27 | C26 | H60 | 119.5° | 119.8° |
C25 | C30 | N45 | 120.5° | 124.8° |
C25 | C30 | C29 | 120.0° | 119.3° |
C43 | C44 | N45 | 114.7° | 118.8° |
C44 | C43 | H71 | 109.1° | 109.3° |
C44 | C43 | H72 | 109.0° | 109.3° |
C44 | N45 | C30 | 125.6° | 118.8° |
C44 | N45 | H73 | 117.2° | 120.6° |
C27 | C28 | C29 | 119.4° | 120.1° |
C27 | C28 | N31 | 124.9° | 120.0° |
C28 | C27 | H61 | 119.8° | 120.0° |
N45 | C30 | C29 | 119.6° | 115.9° |
C30 | N45 | H73 | 117.2° | 120.6° |
C30 | C29 | C28 | 120.7° | 120.4° |
C30 | C29 | H62 | 119.7° | 119.8° |
C29 | C28 | N31 | 115.7° | 120.0° |
C28 | C29 | H62 | 119.7° | 119.8° |
C28 | N31 | C32 | 127.3° | 120.0° |
C28 | N31 | H63 | 116.4° | 120.0° |
O33 | C32 | N31 | 125.9° | 120.0° |
O33 | C32 | O34 | 124.6° | 120.0° |
N31 | C32 | O34 | 109.4° | 120.1° |
C32 | N31 | H63 | 116.3° | 120.0° |
C32 | O34 | C35 | 116.3° | 117.1° |
O34 | C35 | H64 | 109.5° | 109.4° |
O34 | C35 | H65 | 109.4° | 109.5° |
O34 | C35 | H66 | 109.5° | 109.5° |
H57 | C19 | H56 | 109.4° | 109.5° |
H64 | C35 | H65 | 109.5° | 109.5° |
H64 | C35 | H66 | 109.5° | 109.5° |
H65 | C35 | H66 | 109.5° | 109.5° |
H70 | C42 | H69 | 109.5° | 109.7° |
H71 | C43 | H72 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N14 | C13 | N12 | H54 | 180.0° | 180.0° |
C13 | N14 | N15 | N16 | 0.4° | 0.0° |
N14 | C13 | N12 | N16 | 0.4° | 0.0° |
N14 | C13 | N12 | C7 | 179.4° | 179.9° |
N15 | N14 | C13 | N12 | 0.5° | 0.0° |
N14 | N15 | N16 | N12 | 0.1° | 0.0° |
N15 | N14 | C13 | H54 | 179.5° | 179.9° |
C13 | N12 | N16 | N15 | 0.2° | 0.0° |
C13 | N12 | N16 | C7 | 179.9° | 179.9° |
C13 | N12 | C7 | C8 | 56.3° | 48.3° |
C13 | N12 | C7 | C6 | 117.7° | 131.6° |
N15 | N16 | N12 | C7 | 179.7° | 179.9° |
C41 | C40 | C39 | H67 | 180.0° | 180.0° |
C40 | C41 | C36 | H68 | 180.0° | 180.0° |
C41 | C40 | C39 | F47 | 175.5° | 179.9° |
C41 | C40 | C39 | C38 | 1.6° | 0.1° |
C40 | C41 | C36 | C19 | 179.0° | 179.7° |
C40 | C41 | C36 | N37 | 0.3° | 0.0° |
C39 | C40 | C41 | C36 | 1.1° | 0.2° |
C40 | C39 | F47 | C38 | 177.1° | 180.0° |
C40 | C39 | C38 | N37 | 0.8° | 0.5° |
C40 | C39 | C38 | C42 | 179.6° | 178.8° |
C39 | C40 | C41 | H68 | 179.0° | 179.8° |
C41 | C36 | C19 | N37 | 179.3° | 179.7° |
C41 | C36 | C19 | C18 | 152.6° | 96.4° |
C41 | C36 | N37 | C38 | 1.1° | 0.4° |
C41 | C36 | C19 | H57 | 31.5° | 143.7° |
C41 | C36 | C19 | H56 | 86.2° | 23.5° |
C36 | C41 | C40 | H67 | 179.0° | 179.8° |
N16 | N12 | C7 | C8 | 123.9° | 131.7° |
N16 | N12 | C7 | C6 | 62.2° | 48.4° |
N16 | N12 | C13 | H54 | 179.6° | 180.0° |
N12 | C7 | C8 | C6 | 174.0° | 179.9° |
N12 | C7 | C8 | C9 | 172.6° | 179.9° |
N12 | C7 | C6 | C5 | 7.7° | 0.1° |
N12 | C7 | C6 | C11 | 172.5° | 179.9° |
C7 | N12 | C13 | H54 | 0.5° | 0.1° |
N12 | C7 | C8 | H51 | 7.4° | 0.1° |
F47 | C39 | C38 | N37 | 176.2° | 179.5° |
F47 | C39 | C38 | C42 | 3.4° | 1.2° |
F47 | C39 | C40 | H67 | 4.5° | 0.1° |
C39 | C38 | N37 | C36 | 0.5° | 0.7° |
C39 | C38 | N37 | C42 | 179.6° | 179.3° |
C39 | C38 | C42 | C43 | 152.4° | 93.5° |
C38 | C39 | C40 | H67 | 178.4° | 179.9° |
C39 | C38 | C42 | H70 | 87.1° | 146.7° |
C39 | C38 | C42 | H69 | 31.8° | 26.3° |
C36 | C19 | C18 | H57 | 121.1° | 119.9° |
C36 | C19 | C18 | H56 | 121.1° | 120.0° |
C19 | C36 | N37 | C38 | 178.2° | 179.2° |
C36 | C19 | C18 | N2 | 180.0° | 31.8° |
C36 | C19 | C18 | C20 | 56.3° | 88.4° |
C36 | C19 | C18 | H55 | 61.3° | 151.4° |
C36 | C19 | H57 | H56 | 116.5° | 120.2° |
C19 | C36 | C41 | H68 | 1.0° | 0.3° |
N37 | C36 | C19 | C18 | 26.7° | 83.3° |
C36 | N37 | C38 | C42 | 179.1° | 178.6° |
N37 | C36 | C19 | H57 | 147.8° | 36.6° |
N37 | C36 | C19 | H56 | 94.4° | 156.8° |
N37 | C36 | C41 | H68 | 179.7° | 180.0° |
C19 | C18 | C20 | N21 | 45.3° | 83.9° |
C19 | C18 | N2 | C20 | 124.6° | 120.6° |
C19 | C18 | N2 | H55 | 118.2° | 119.6° |
C19 | C18 | N2 | C3 | 166.2° | 154.4° |
C19 | C18 | C20 | H55 | 117.3° | 120.2° |
C19 | C18 | C20 | N24 | 129.4° | 95.6° |
C18 | C19 | H57 | H56 | 116.6° | 120.2° |
C19 | C18 | N2 | H48 | 13.7° | 25.6° |
C7 | C8 | C9 | H51 | 180.0° | 180.0° |
C7 | C8 | C9 | C10 | 1.1° | 0.3° |
C8 | C7 | C6 | C5 | 178.4° | 180.0° |
C8 | C7 | C6 | C11 | 1.4° | 0.0° |
C7 | C8 | C9 | H52 | 178.9° | 179.9° |
C9 | C8 | C7 | C6 | 1.4° | 0.0° |
C8 | C9 | C10 | H52 | 180.0° | 179.7° |
C8 | C9 | C10 | C11 | 0.9° | 0.6° |
C8 | C9 | C10 | CL1 | 177.6° | 180.0° |
C7 | C6 | C5 | C11 | 179.8° | 180.0° |
C7 | C6 | C5 | C4 | 119.9° | 173.6° |
C7 | C6 | C11 | C10 | 1.2° | 0.3° |
C7 | C6 | C11 | H53 | 178.8° | 180.0° |
C7 | C6 | C5 | H50 | 60.1° | 6.4° |
C6 | C7 | C8 | H51 | 178.6° | 180.0° |
C22 | N21 | C20 | H58 | 180.0° | 180.0° |
N21 | C22 | C23 | H59 | 180.0° | 180.0° |
C22 | N21 | C20 | C18 | 175.1° | 177.8° |
C22 | N21 | C20 | N24 | 0.2° | 2.6° |
N21 | C22 | C23 | N24 | 0.5° | 1.4° |
N21 | C22 | C23 | C25 | 178.9° | 175.3° |
C20 | N21 | C22 | C23 | 0.2° | 0.7° |
N21 | C20 | C18 | N2 | 79.7° | 156.0° |
N21 | C20 | C18 | N24 | 174.7° | 179.5° |
N21 | C20 | N24 | C23 | 0.5° | 3.5° |
N21 | C20 | C18 | H55 | 162.6° | 36.2° |
C20 | N21 | C22 | H59 | 179.8° | 179.3° |
C22 | C23 | N24 | C20 | 0.7° | 3.0° |
C22 | C23 | N24 | C25 | 179.5° | 176.5° |
C22 | C23 | C25 | C26 | 41.1° | 15.5° |
C22 | C23 | C25 | C30 | 137.7° | 165.0° |
C23 | C22 | N21 | H58 | 179.8° | 179.3° |
C9 | C10 | C11 | C6 | 0.9° | 0.6° |
C9 | C10 | C11 | CL1 | 178.5° | 179.4° |
C9 | C10 | C11 | H53 | 179.1° | 179.7° |
C10 | C9 | C8 | H51 | 178.9° | 179.7° |
C6 | C5 | C4 | H50 | 180.0° | 180.0° |
C5 | C6 | C11 | C10 | 178.6° | 179.7° |
C6 | C5 | C4 | C3 | 179.3° | 180.0° |
C5 | C6 | C11 | H53 | 1.4° | 0.0° |
C6 | C5 | C4 | H49 | 0.7° | 0.0° |
C11 | C6 | C5 | C4 | 59.9° | 6.4° |
C6 | C11 | C10 | H53 | 180.0° | 179.7° |
C6 | C11 | C10 | CL1 | 177.5° | 180.0° |
C11 | C6 | C5 | H50 | 120.1° | 173.6° |
N37 | C38 | C42 | C43 | 27.3° | 85.8° |
N37 | C38 | C42 | H70 | 93.3° | 34.0° |
N37 | C38 | C42 | H69 | 147.8° | 154.4° |
C38 | C42 | C43 | H70 | 120.5° | 119.8° |
C38 | C42 | C43 | H69 | 120.6° | 119.8° |
C38 | C42 | C43 | C44 | 69.7° | 86.3° |
C38 | C42 | H70 | H69 | 118.4° | 120.4° |
C38 | C42 | C43 | H71 | 50.6° | 153.5° |
C38 | C42 | C43 | H72 | 170.1° | 33.8° |
C5 | C4 | C3 | N2 | 8.3° | 180.0° |
C5 | C4 | C3 | H49 | 180.0° | 180.0° |
C5 | C4 | C3 | O17 | 168.7° | 0.1° |
C18 | N2 | C3 | H48 | 180.0° | 179.9° |
N2 | C18 | C20 | H55 | 117.6° | 119.7° |
N2 | C18 | C20 | N24 | 105.6° | 24.5° |
C18 | N2 | C3 | C4 | 173.6° | 180.0° |
C18 | N2 | C3 | O17 | 9.3° | 0.1° |
N2 | C18 | C19 | H57 | 58.9° | 151.6° |
N2 | C18 | C19 | H56 | 58.9° | 88.2° |
C3 | N2 | C18 | C20 | 69.2° | 85.0° |
N2 | C3 | C4 | O17 | 177.0° | 179.9° |
C3 | N2 | C18 | H55 | 48.1° | 34.7° |
N2 | C3 | C4 | H49 | 171.7° | 0.0° |
C18 | C20 | N24 | C23 | 174.7° | 176.9° |
C20 | C18 | C19 | H57 | 64.8° | 31.4° |
C20 | C18 | C19 | H56 | 177.4° | 151.6° |
C20 | C18 | N2 | H48 | 110.8° | 95.1° |
C18 | C20 | N21 | H58 | 4.9° | 2.2° |
C20 | N24 | C23 | C25 | 178.8° | 173.5° |
N24 | C20 | C18 | H55 | 12.1° | 144.3° |
N24 | C20 | N21 | H58 | 179.8° | 177.4° |
C11 | C10 | C9 | H52 | 179.1° | 179.7° |
CL1 | C10 | C11 | H53 | 2.5° | 0.4° |
CL1 | C10 | C9 | H52 | 2.4° | 0.4° |
N24 | C23 | C25 | C26 | 139.5° | 160.5° |
N24 | C23 | C25 | C30 | 41.7° | 19.0° |
N24 | C23 | C22 | H59 | 179.5° | 178.6° |
C23 | C25 | C26 | C30 | 178.8° | 179.5° |
C23 | C25 | C26 | C27 | 179.2° | 178.3° |
C23 | C25 | C30 | N45 | 3.5° | 3.9° |
C23 | C25 | C30 | C29 | 177.7° | 177.2° |
C25 | C23 | C22 | H59 | 1.1° | 4.7° |
C23 | C25 | C26 | H60 | 0.8° | 1.9° |
O46 | C44 | C43 | C42 | 2.4° | 21.4° |
O46 | C44 | C43 | N45 | 178.7° | 180.0° |
O46 | C44 | N45 | C30 | 2.4° | 16.9° |
O46 | C44 | C43 | H71 | 117.9° | 98.7° |
O46 | C44 | C43 | H72 | 122.6° | 141.6° |
O46 | C44 | N45 | H73 | 177.6° | 163.0° |
C4 | C3 | N2 | H48 | 6.4° | 0.1° |
C3 | C4 | C5 | H50 | 0.7° | 0.0° |
O17 | C3 | N2 | H48 | 170.7° | 180.0° |
O17 | C3 | C4 | H49 | 11.3° | 180.0° |
C42 | C43 | C44 | H71 | 120.3° | 120.2° |
C42 | C43 | C44 | H72 | 120.2° | 120.2° |
C42 | C43 | C44 | N45 | 178.9° | 158.5° |
C43 | C42 | H70 | H69 | 118.3° | 120.4° |
C42 | C43 | H71 | H72 | 119.2° | 119.8° |
C25 | C26 | C27 | H60 | 180.0° | 179.9° |
C25 | C26 | C27 | C28 | 0.7° | 0.5° |
C26 | C25 | C30 | N45 | 177.7° | 176.6° |
C26 | C25 | C30 | C29 | 1.1° | 2.3° |
C25 | C26 | C27 | H61 | 179.4° | 179.5° |
C27 | C26 | C25 | C30 | 0.3° | 1.3° |
C26 | C27 | C28 | H61 | 180.0° | 180.0° |
C26 | C27 | C28 | C29 | 0.4° | 1.3° |
C26 | C27 | C28 | N31 | 178.4° | 178.6° |
C25 | C30 | N45 | C44 | 68.6° | 66.2° |
C25 | C30 | N45 | C29 | 178.8° | 179.0° |
C25 | C30 | C29 | C28 | 2.1° | 1.6° |
C30 | C25 | C26 | H60 | 179.7° | 178.6° |
C25 | C30 | C29 | H62 | 177.9° | 178.5° |
C25 | C30 | N45 | H73 | 111.5° | 113.7° |
C43 | C44 | N45 | C30 | 176.3° | 163.1° |
C44 | C43 | C42 | H70 | 169.8° | 33.5° |
C44 | C43 | C42 | H69 | 50.9° | 153.9° |
C44 | C43 | H71 | H72 | 119.2° | 119.6° |
C43 | C44 | N45 | H73 | 3.7° | 17.0° |
C44 | N45 | C30 | H73 | 180.0° | 179.9° |
C44 | N45 | C30 | C29 | 112.7° | 112.8° |
N45 | C44 | C43 | H71 | 60.8° | 81.3° |
N45 | C44 | C43 | H72 | 58.6° | 38.4° |
C27 | C28 | C29 | C30 | 1.8° | 0.2° |
C27 | C28 | C29 | N31 | 178.9° | 179.9° |
C27 | C28 | N31 | C32 | 23.5° | 33.1° |
C28 | C27 | C26 | H60 | 179.3° | 179.6° |
C27 | C28 | C29 | H62 | 178.2° | 179.7° |
C27 | C28 | N31 | H63 | 156.5° | 146.9° |
N45 | C30 | C29 | C28 | 176.7° | 177.5° |
N45 | C30 | C29 | H62 | 3.4° | 2.5° |
C30 | C29 | C28 | H62 | 180.0° | 180.0° |
C30 | C29 | C28 | N31 | 177.1° | 179.7° |
C29 | C30 | N45 | H73 | 67.3° | 67.3° |
C29 | C28 | N31 | C32 | 157.7° | 146.8° |
C29 | C28 | C27 | H61 | 179.6° | 178.7° |
C29 | C28 | N31 | H63 | 22.3° | 33.2° |
C28 | N31 | C32 | O33 | 5.4° | 5.3° |
C28 | N31 | C32 | H63 | 180.0° | 180.0° |
C28 | N31 | C32 | O34 | 178.4° | 174.8° |
N31 | C28 | C27 | H61 | 1.7° | 1.3° |
N31 | C28 | C29 | H62 | 2.9° | 0.3° |
O33 | C32 | N31 | O34 | 176.2° | 179.9° |
O33 | C32 | O34 | C35 | 4.8° | 0.0° |
O33 | C32 | N31 | H63 | 174.6° | 174.8° |
N31 | C32 | O34 | C35 | 178.9° | 180.0° |
O34 | C32 | N31 | H63 | 1.6° | 5.2° |
C32 | O34 | C35 | H64 | 180.0° | 60.0° |
C32 | O34 | C35 | H65 | 60.0° | 180.0° |
C32 | O34 | C35 | H66 | 60.0° | 60.0° |
O34 | C35 | H64 | H65 | 120.0° | 120.0° |
O34 | C35 | H64 | H66 | 120.0° | 119.9° |
O34 | C35 | H65 | H66 | 120.0° | 120.0° |
H55 | C18 | C19 | H57 | 177.6° | 88.7° |
H55 | C18 | C19 | H56 | 59.8° | 31.4° |
H55 | C18 | N2 | H48 | 131.9° | 145.2° |
H59 | C22 | N21 | H58 | 0.2° | 0.7° |
H61 | C27 | C26 | H60 | 0.7° | 0.4° |
H49 | C4 | C5 | H50 | 179.3° | 180.0° |
H51 | C8 | C9 | H52 | 1.1° | 0.0° |
H64 | C35 | H65 | H66 | 120.0° | 120.0° |
H67 | C40 | C41 | H68 | 1.0° | 0.2° |
H70 | C42 | C43 | H71 | 69.9° | 86.7° |
H70 | C42 | C43 | H72 | 49.5° | 153.6° |
H69 | C42 | C43 | H71 | 171.2° | 33.7° |
H69 | C42 | C43 | H72 | 69.4° | 86.0° |