9FD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | C9 | doub | 1.31Å | 1.31Å | 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 | |
| C7 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C32 | sing | 1.53Å | 1.55Å | |
| C20 | C18 | sing | 1.53Å | 1.54Å | |
| C32 | C33 | sing | 1.53Å | 1.55Å | |
| N27 | C28 | sing | 1.37Å | 1.37Å | Aromatic |
| N27 | C19 | sing | 1.35Å | 1.35Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C13 | sing | 1.47Å | 1.47Å | |
| C6 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C28 | C29 | doub | 1.36Å | 1.37Å | Aromatic |
| C13 | C14 | doub | 1.35Å | 1.33Å | |
| N17 | C18 | sing | 1.46Å | 1.45Å | |
| N17 | C15 | sing | 1.35Å | 1.35Å | |
| C18 | C19 | sing | 1.51Å | 1.50Å | |
| C19 | N30 | doub | 1.30Å | 1.32Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | CL1 | sing | 1.74Å | 1.76Å | |
| C43 | C34 | sing | 1.53Å | 1.53Å | |
| C34 | C33 | sing | 1.53Å | 1.55Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| O42 | C36 | doub | 1.21Å | 1.23Å | |
| C14 | C15 | sing | 1.46Å | 1.48Å | |
| C29 | N30 | sing | 1.35Å | 1.39Å | Aromatic |
| C29 | C21 | sing | 1.48Å | 1.47Å | |
| C15 | O16 | doub | 1.22Å | 1.23Å | |
| C36 | C35 | sing | 1.51Å | 1.51Å | |
| C36 | N31 | sing | 1.36Å | 1.35Å | |
| C21 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C26 | sing | 1.40Å | 1.41Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| N31 | C26 | sing | 1.41Å | 1.42Å | |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | N37 | sing | 1.40Å | 1.43Å | |
| O40 | C38 | doub | 1.21Å | 1.21Å | |
| N37 | C38 | sing | 1.35Å | 1.36Å | |
| C38 | O39 | sing | 1.35Å | 1.35Å | |
| O39 | C41 | sing | 1.45Å | 1.45Å | |
| C13 | H48 | sing | 1.08Å | 1.08Å | |
| C18 | H51 | sing | 1.09Å | 1.10Å | |
| C20 | H52 | sing | 1.09Å | 1.10Å | |
| C20 | H53 | sing | 1.09Å | 1.10Å | |
| C22 | H54 | sing | 1.08Å | 1.08Å | |
| C23 | H55 | sing | 1.08Å | 1.08Å | |
| C34 | H64 | sing | 1.09Å | 1.10Å | |
| C33 | H62 | sing | 1.09Å | 1.10Å | |
| C33 | H63 | sing | 1.09Å | 1.10Å | |
| C2 | H44 | sing | 1.08Å | 1.08Å | |
| C3 | H45 | sing | 1.08Å | 1.08Å | |
| C5 | H46 | sing | 1.08Å | 1.08Å | |
| C9 | H47 | sing | 1.08Å | 1.08Å | |
| C14 | H49 | sing | 1.08Å | 1.08Å | |
| N17 | H50 | sing | 0.97Å | 1.00Å | |
| C25 | H56 | sing | 1.08Å | 1.08Å | |
| N27 | H57 | sing | 0.97Å | 1.00Å | |
| C28 | H58 | sing | 1.08Å | 1.08Å | |
| N31 | H59 | sing | 0.97Å | 1.00Å | |
| C32 | H61 | sing | 1.09Å | 1.10Å | |
| C32 | H60 | sing | 1.09Å | 1.10Å | |
| C35 | H65 | sing | 1.09Å | 1.10Å | |
| C35 | H66 | sing | 1.09Å | 1.10Å | |
| N37 | H67 | sing | 0.97Å | 1.00Å | |
| C41 | H69 | sing | 1.09Å | 1.10Å | |
| C41 | H68 | sing | 1.09Å | 1.10Å | |
| C41 | H70 | sing | 1.09Å | 1.10Å | |
| C43 | H73 | sing | 1.09Å | 1.10Å | |
| C43 | H72 | sing | 1.09Å | 1.10Å | |
| C43 | H71 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | N10 | N11 | 105.6° | 110.7° |
| N10 | C9 | N8 | 109.7° | 107.3° |
| N10 | C9 | H47 | 125.1° | 126.4° |
| N10 | N11 | N12 | 110.8° | 110.2° |
| C9 | N8 | N12 | 107.6° | 105.2° |
| C9 | N8 | C7 | 132.0° | 127.4° |
| N8 | C9 | H47 | 125.2° | 126.3° |
| N11 | N12 | N8 | 106.3° | 106.6° |
| N12 | N8 | C7 | 120.4° | 127.4° |
| N8 | C7 | C2 | 119.0° | 120.1° |
| N8 | C7 | C6 | 120.6° | 120.2° |
| C2 | C7 | C6 | 120.2° | 119.7° |
| C7 | C2 | C3 | 120.2° | 120.1° |
| C7 | C2 | H44 | 119.9° | 120.0° |
| C7 | C6 | C13 | 122.6° | 120.2° |
| C7 | C6 | C5 | 118.9° | 119.6° |
| C2 | C3 | C4 | 119.3° | 120.4° |
| C3 | C2 | H44 | 119.9° | 119.9° |
| C2 | C3 | H45 | 120.3° | 119.8° |
| C32 | C20 | C18 | 116.9° | 109.6° |
| C20 | C32 | C33 | 118.4° | 109.3° |
| C32 | C20 | H52 | 107.6° | 109.4° |
| C32 | C20 | H53 | 107.6° | 109.5° |
| C20 | C32 | H61 | 107.2° | 109.5° |
| C20 | C32 | H60 | 107.2° | 109.5° |
| C20 | C18 | N17 | 111.7° | 109.6° |
| C20 | C18 | C19 | 110.8° | 109.2° |
| C20 | C18 | H51 | 106.8° | 109.5° |
| C18 | C20 | H52 | 107.6° | 109.5° |
| C18 | C20 | H53 | 107.6° | 109.4° |
| C32 | C33 | C34 | 113.5° | 109.2° |
| C32 | C33 | H62 | 108.5° | 109.6° |
| C32 | C33 | H63 | 108.5° | 109.5° |
| C33 | C32 | H61 | 107.2° | 109.5° |
| C33 | C32 | H60 | 107.2° | 109.6° |
| C28 | N27 | C19 | 107.5° | 107.4° |
| N27 | C28 | C29 | 106.3° | 106.7° |
| C28 | N27 | H57 | 126.2° | 126.3° |
| N27 | C28 | H58 | 126.9° | 126.7° |
| N27 | C19 | C18 | 123.9° | 125.4° |
| N27 | C19 | N30 | 111.5° | 109.0° |
| C19 | N27 | H57 | 126.2° | 126.3° |
| C3 | C4 | C5 | 121.4° | 120.3° |
| C3 | C4 | CL1 | 119.3° | 119.9° |
| C4 | C3 | H45 | 120.4° | 119.8° |
| C13 | C6 | C5 | 118.4° | 120.2° |
| C6 | C13 | C14 | 126.3° | 120.0° |
| C6 | C13 | H48 | 116.9° | 120.0° |
| C6 | C5 | C4 | 119.8° | 119.8° |
| C6 | C5 | H46 | 120.1° | 120.1° |
| C28 | C29 | N30 | 109.2° | 107.7° |
| C28 | C29 | C21 | 132.2° | 126.3° |
| C29 | C28 | H58 | 126.9° | 126.6° |
| C13 | C14 | C15 | 128.9° | 120.0° |
| C14 | C13 | H48 | 116.8° | 120.0° |
| C13 | C14 | H49 | 115.5° | 120.0° |
| C18 | N17 | C15 | 119.7° | 120.0° |
| N17 | C18 | C19 | 112.3° | 109.6° |
| N17 | C18 | H51 | 107.8° | 109.5° |
| C18 | N17 | H50 | 120.1° | 120.0° |
| N17 | C15 | C14 | 116.3° | 120.0° |
| N17 | C15 | O16 | 121.1° | 120.0° |
| C15 | N17 | H50 | 120.1° | 120.0° |
| C18 | C19 | N30 | 124.5° | 125.5° |
| C19 | C18 | H51 | 107.2° | 109.5° |
| C19 | N30 | C29 | 105.5° | 109.2° |
| C5 | C4 | CL1 | 119.2° | 119.8° |
| C4 | C5 | H46 | 120.1° | 120.1° |
| C43 | C34 | C33 | 112.4° | 109.5° |
| C43 | C34 | C35 | 109.6° | 109.5° |
| C43 | C34 | H64 | 107.2° | 109.5° |
| C34 | C43 | H73 | 109.5° | 109.4° |
| C34 | C43 | H72 | 109.5° | 109.5° |
| C34 | C43 | H71 | 109.5° | 109.5° |
| C33 | C34 | C35 | 113.3° | 109.5° |
| C33 | C34 | H64 | 106.9° | 109.5° |
| C34 | C33 | H62 | 108.5° | 109.5° |
| C34 | C33 | H63 | 108.4° | 109.6° |
| C34 | C35 | C36 | 112.9° | 109.5° |
| C35 | C34 | H64 | 107.1° | 109.5° |
| C34 | C35 | H65 | 108.6° | 109.5° |
| C34 | C35 | H66 | 108.6° | 109.4° |
| O42 | C36 | C35 | 121.4° | 120.4° |
| O42 | C36 | N31 | 123.5° | 120.4° |
| C14 | C15 | O16 | 122.5° | 120.0° |
| C15 | C14 | H49 | 115.5° | 120.0° |
| N30 | C29 | C21 | 118.5° | 125.9° |
| C29 | C21 | C22 | 119.2° | 120.2° |
| C29 | C21 | C26 | 122.1° | 120.0° |
| C35 | C36 | N31 | 115.1° | 119.2° |
| C36 | C35 | H65 | 108.6° | 109.5° |
| C36 | C35 | H66 | 108.6° | 109.5° |
| C36 | N31 | C26 | 124.2° | 116.3° |
| C36 | N31 | H59 | 117.9° | 121.8° |
| C22 | C21 | C26 | 118.7° | 119.8° |
| C21 | C22 | C23 | 121.0° | 119.8° |
| C21 | C22 | H54 | 119.5° | 120.0° |
| C21 | C26 | N31 | 119.8° | 118.9° |
| C21 | C26 | C25 | 119.8° | 120.1° |
| C22 | C23 | C24 | 120.4° | 120.3° |
| C23 | C22 | H54 | 119.5° | 120.2° |
| C22 | C23 | H55 | 119.8° | 119.8° |
| N31 | C26 | C25 | 120.1° | 120.9° |
| C26 | N31 | H59 | 117.9° | 121.9° |
| C26 | C25 | C24 | 121.1° | 119.8° |
| C26 | C25 | H56 | 119.4° | 120.2° |
| C23 | C24 | C25 | 119.1° | 120.1° |
| C23 | C24 | N37 | 124.8° | 119.9° |
| C24 | C23 | H55 | 119.8° | 119.8° |
| C25 | C24 | N37 | 116.0° | 120.0° |
| C24 | C25 | H56 | 119.5° | 120.1° |
| C24 | N37 | C38 | 127.5° | 120.0° |
| C24 | N37 | H67 | 116.3° | 120.0° |
| O40 | C38 | N37 | 126.1° | 120.0° |
| O40 | C38 | O39 | 124.2° | 120.0° |
| N37 | C38 | O39 | 109.7° | 120.0° |
| C38 | N37 | H67 | 116.3° | 120.0° |
| C38 | O39 | C41 | 116.5° | 117.0° |
| O39 | C41 | H69 | 109.5° | 109.5° |
| O39 | C41 | H68 | 109.5° | 109.5° |
| O39 | C41 | H70 | 109.5° | 109.5° |
| H52 | C20 | H53 | 109.5° | 109.4° |
| H62 | C33 | H63 | 109.5° | 109.5° |
| H61 | C32 | H60 | 109.5° | 109.5° |
| H65 | C35 | H66 | 109.4° | 109.5° |
| H69 | C41 | H68 | 109.5° | 109.4° |
| H69 | C41 | H70 | 109.5° | 109.4° |
| H68 | C41 | H70 | 109.5° | 109.4° |
| H73 | C43 | H72 | 109.4° | 109.5° |
| H73 | C43 | H71 | 109.5° | 109.5° |
| H72 | C43 | H71 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N10 | C9 | N8 | H47 | 180.0° | 180.0° |
| C9 | N10 | N11 | N12 | 0.1° | 0.0° |
| N10 | C9 | N8 | N12 | 0.3° | 0.0° |
| N10 | C9 | N8 | C7 | 178.7° | 179.7° |
| N11 | N10 | C9 | N8 | 0.1° | 0.0° |
| N10 | N11 | N12 | N8 | 0.3° | 0.0° |
| N11 | N10 | C9 | H47 | 179.9° | 180.0° |
| C9 | N8 | N12 | N11 | 0.4° | 0.0° |
| C9 | N8 | N12 | C7 | 178.6° | 179.7° |
| C9 | N8 | C7 | C2 | 60.0° | 47.8° |
| C9 | N8 | C7 | C6 | 115.1° | 131.8° |
| N11 | N12 | N8 | C7 | 179.0° | 179.7° |
| N12 | N8 | C7 | C2 | 121.8° | 132.5° |
| N12 | N8 | C7 | C6 | 63.1° | 47.9° |
| N12 | N8 | C9 | H47 | 179.7° | 180.0° |
| N8 | C7 | C2 | C6 | 175.2° | 179.6° |
| N8 | C7 | C2 | C3 | 171.0° | 180.0° |
| N8 | C7 | C6 | C13 | 13.1° | 0.2° |
| N8 | C7 | C6 | C5 | 170.6° | 180.0° |
| N8 | C7 | C2 | H44 | 9.0° | 0.2° |
| C7 | N8 | C9 | H47 | 1.3° | 0.2° |
| C7 | C2 | C3 | H44 | 180.0° | 179.8° |
| C7 | C2 | C3 | C4 | 1.4° | 0.2° |
| C2 | C7 | C6 | C13 | 171.8° | 179.8° |
| C2 | C7 | C6 | C5 | 4.5° | 0.5° |
| C7 | C2 | C3 | H45 | 178.6° | 179.7° |
| C6 | C7 | C2 | C3 | 4.2° | 0.4° |
| C7 | C6 | C13 | C5 | 176.3° | 179.7° |
| C7 | C6 | C13 | C14 | 109.5° | 174.9° |
| C7 | C6 | C5 | C4 | 2.1° | 0.3° |
| C7 | C6 | C13 | H48 | 70.5° | 5.3° |
| C6 | C7 | C2 | H44 | 175.8° | 179.8° |
| C7 | C6 | C5 | H46 | 177.9° | 179.8° |
| C2 | C3 | C4 | H45 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 1.0° | 0.0° |
| C2 | C3 | C4 | CL1 | 178.5° | 180.0° |
| C32 | C20 | C18 | H52 | 121.1° | 120.1° |
| C32 | C20 | C18 | H53 | 121.1° | 120.1° |
| C20 | C32 | C33 | H61 | 121.3° | 119.9° |
| C20 | C32 | C33 | H60 | 121.3° | 120.0° |
| C32 | C20 | C18 | N17 | 176.1° | 160.6° |
| C32 | C20 | C18 | C19 | 50.2° | 79.4° |
| C20 | C32 | C33 | C34 | 164.8° | 152.5° |
| C32 | C20 | C18 | H51 | 66.3° | 40.5° |
| C32 | C20 | H52 | H53 | 116.6° | 119.9° |
| C20 | C32 | C33 | H62 | 44.2° | 32.5° |
| C20 | C32 | C33 | H63 | 74.6° | 87.6° |
| C20 | C32 | H61 | H60 | 116.0° | 120.0° |
| C18 | C20 | C32 | C33 | 45.5° | 144.0° |
| C20 | C18 | C19 | N27 | 54.1° | 145.7° |
| C20 | C18 | N17 | C19 | 125.2° | 119.8° |
| C20 | C18 | N17 | H51 | 117.0° | 120.1° |
| C20 | C18 | N17 | C15 | 161.2° | 155.2° |
| C20 | C18 | C19 | H51 | 116.2° | 119.8° |
| C20 | C18 | C19 | N30 | 121.5° | 33.8° |
| C18 | C20 | H52 | H53 | 116.6° | 119.9° |
| C20 | C18 | N17 | H50 | 18.8° | 24.8° |
| C18 | C20 | C32 | H61 | 166.7° | 24.1° |
| C18 | C20 | C32 | H60 | 75.8° | 96.0° |
| C32 | C33 | C34 | C43 | 101.9° | 24.9° |
| C32 | C33 | C34 | H62 | 120.6° | 120.0° |
| C32 | C33 | C34 | H63 | 120.6° | 119.9° |
| C32 | C33 | C34 | C35 | 133.2° | 144.9° |
| C33 | C32 | C20 | H52 | 166.6° | 95.9° |
| C33 | C32 | C20 | H53 | 75.6° | 24.0° |
| C32 | C33 | C34 | H64 | 15.5° | 95.1° |
| C32 | C33 | H62 | H63 | 118.2° | 120.1° |
| C33 | C32 | H61 | H60 | 115.9° | 120.1° |
| C28 | N27 | C19 | H57 | 180.0° | 179.9° |
| N27 | C28 | C29 | H58 | 180.0° | 179.9° |
| C28 | N27 | C19 | C18 | 176.1° | 179.8° |
| C28 | N27 | C19 | N30 | 0.0° | 0.5° |
| N27 | C28 | C29 | N30 | 0.2° | 0.7° |
| N27 | C28 | C29 | C21 | 176.3° | 177.7° |
| C19 | N27 | C28 | C29 | 0.2° | 0.1° |
| N27 | C19 | C18 | N17 | 71.6° | 25.7° |
| N27 | C19 | C18 | N30 | 175.5° | 179.6° |
| N27 | C19 | N30 | C29 | 0.1° | 1.0° |
| N27 | C19 | C18 | H51 | 170.2° | 94.4° |
| C19 | N27 | C28 | H58 | 179.9° | 179.8° |
| C3 | C4 | C5 | C6 | 0.7° | 0.1° |
| C3 | C4 | C5 | CL1 | 179.5° | 180.0° |
| C4 | C3 | C2 | H44 | 178.6° | 180.0° |
| C3 | C4 | C5 | H46 | 179.3° | 179.9° |
| C6 | C13 | C14 | H48 | 180.0° | 179.8° |
| C13 | C6 | C5 | C4 | 174.3° | 180.0° |
| C6 | C13 | C14 | C15 | 177.2° | 179.8° |
| C13 | C6 | C5 | H46 | 5.7° | 0.1° |
| C6 | C13 | C14 | H49 | 2.8° | 0.3° |
| C5 | C6 | C13 | C14 | 66.8° | 5.4° |
| C6 | C5 | C4 | H46 | 180.0° | 179.9° |
| C6 | C5 | C4 | CL1 | 178.9° | 180.0° |
| C5 | C6 | C13 | H48 | 113.2° | 174.4° |
| C28 | C29 | N30 | C19 | 0.2° | 1.1° |
| C28 | C29 | N30 | C21 | 177.1° | 178.4° |
| C28 | C29 | C21 | C22 | 46.7° | 12.9° |
| C28 | C29 | C21 | C26 | 131.1° | 168.6° |
| C29 | C28 | N27 | H57 | 179.9° | 179.8° |
| C13 | C14 | C15 | N17 | 2.6° | 180.0° |
| C13 | C14 | C15 | H49 | 180.0° | 180.0° |
| C13 | C14 | C15 | O16 | 179.6° | 0.0° |
| C18 | N17 | C15 | H50 | 180.0° | 179.9° |
| N17 | C18 | C19 | H51 | 118.1° | 120.2° |
| N17 | C18 | C19 | N30 | 112.8° | 153.8° |
| C18 | N17 | C15 | C14 | 171.9° | 180.0° |
| C18 | N17 | C15 | O16 | 5.8° | 0.0° |
| N17 | C18 | C20 | H52 | 55.1° | 40.5° |
| N17 | C18 | C20 | H53 | 62.8° | 79.4° |
| C15 | N17 | C18 | C19 | 73.6° | 85.0° |
| N17 | C15 | C14 | O16 | 177.7° | 180.0° |
| C15 | N17 | C18 | H51 | 44.2° | 35.2° |
| N17 | C15 | C14 | H49 | 177.4° | 0.0° |
| C18 | C19 | N30 | C29 | 175.9° | 179.4° |
| C19 | C18 | C20 | H52 | 70.9° | 160.5° |
| C19 | C18 | C20 | H53 | 171.2° | 40.6° |
| C19 | C18 | N17 | H50 | 106.4° | 94.9° |
| C18 | C19 | N27 | H57 | 3.9° | 0.1° |
| C19 | N30 | C29 | C21 | 176.9° | 177.4° |
| N30 | C19 | C18 | H51 | 5.3° | 86.0° |
| N30 | C19 | N27 | H57 | 180.0° | 179.5° |
| C5 | C4 | C3 | H45 | 179.0° | 179.9° |
| CL1 | C4 | C3 | H45 | 1.5° | 0.0° |
| CL1 | C4 | C5 | H46 | 1.1° | 0.1° |
| C43 | C34 | C33 | C35 | 124.9° | 120.0° |
| C43 | C34 | C33 | H64 | 117.3° | 120.0° |
| C43 | C34 | C35 | H64 | 116.0° | 120.0° |
| C43 | C34 | C35 | C36 | 158.6° | 18.1° |
| C43 | C34 | C33 | H62 | 137.5° | 95.1° |
| C43 | C34 | C33 | H63 | 18.7° | 144.7° |
| C43 | C34 | C35 | H65 | 80.9° | 101.9° |
| C43 | C34 | C35 | H66 | 38.1° | 138.1° |
| C34 | C43 | H73 | H72 | 120.0° | 120.0° |
| C34 | C43 | H73 | H71 | 120.0° | 120.0° |
| C34 | C43 | H72 | H71 | 120.0° | 120.0° |
| C33 | C34 | C35 | H64 | 117.7° | 120.0° |
| C33 | C34 | C35 | C36 | 75.0° | 101.9° |
| C34 | C33 | H62 | H63 | 118.1° | 120.2° |
| C34 | C33 | C32 | H61 | 73.9° | 32.6° |
| C34 | C33 | C32 | H60 | 43.5° | 87.5° |
| C33 | C34 | C35 | H65 | 45.5° | 138.1° |
| C33 | C34 | C35 | H66 | 164.5° | 18.1° |
| C33 | C34 | C43 | H73 | 180.0° | 68.7° |
| C33 | C34 | C43 | H72 | 60.0° | 171.3° |
| C33 | C34 | C43 | H71 | 60.0° | 51.3° |
| C34 | C35 | C36 | O42 | 55.7° | 125.2° |
| C34 | C35 | C36 | H65 | 120.5° | 120.0° |
| C34 | C35 | C36 | H66 | 120.5° | 120.0° |
| C34 | C35 | C36 | N31 | 125.0° | 54.9° |
| C35 | C34 | C33 | H62 | 12.6° | 24.9° |
| C35 | C34 | C33 | H63 | 106.2° | 95.3° |
| C34 | C35 | H65 | H66 | 118.5° | 120.0° |
| C35 | C34 | C43 | H73 | 53.0° | 171.3° |
| C35 | C34 | C43 | H72 | 66.9° | 51.3° |
| C35 | C34 | C43 | H71 | 173.1° | 68.7° |
| O42 | C36 | C35 | N31 | 179.3° | 180.0° |
| O42 | C36 | N31 | C26 | 6.9° | 1.9° |
| O42 | C36 | N31 | H59 | 173.1° | 178.2° |
| O42 | C36 | C35 | H65 | 176.2° | 5.1° |
| O42 | C36 | C35 | H66 | 64.9° | 114.9° |
| C15 | C14 | C13 | H48 | 2.8° | 0.0° |
| C14 | C15 | N17 | H50 | 8.1° | 0.0° |
| N30 | C29 | C21 | C22 | 137.0° | 165.3° |
| N30 | C29 | C21 | C26 | 45.2° | 13.2° |
| N30 | C29 | C28 | H58 | 179.8° | 179.2° |
| C29 | C21 | C22 | C26 | 177.9° | 178.5° |
| C29 | C21 | C22 | C23 | 177.5° | 176.7° |
| C29 | C21 | C26 | N31 | 4.7° | 4.7° |
| C29 | C21 | C26 | C25 | 178.3° | 176.3° |
| C29 | C21 | C22 | H54 | 2.6° | 3.3° |
| C21 | C29 | C28 | H58 | 3.6° | 2.4° |
| O16 | C15 | C14 | H49 | 0.3° | 180.0° |
| O16 | C15 | N17 | H50 | 174.2° | 180.0° |
| C35 | C36 | N31 | C26 | 172.4° | 178.2° |
| C36 | C35 | C34 | H64 | 42.7° | 138.1° |
| C35 | C36 | N31 | H59 | 7.6° | 1.8° |
| C36 | C35 | H65 | H66 | 118.4° | 120.0° |
| C36 | N31 | C26 | C21 | 71.5° | 166.1° |
| C36 | N31 | C26 | H59 | 180.0° | 180.0° |
| C36 | N31 | C26 | C25 | 102.0° | 14.9° |
| N31 | C36 | C35 | H65 | 4.5° | 174.9° |
| N31 | C36 | C35 | H66 | 114.5° | 65.1° |
| C21 | C22 | C23 | H54 | 180.0° | 180.0° |
| C22 | C21 | C26 | N31 | 173.2° | 176.7° |
| C22 | C21 | C26 | C25 | 0.4° | 2.3° |
| C21 | C22 | C23 | C24 | 0.8° | 0.4° |
| C21 | C22 | C23 | H55 | 179.2° | 179.7° |
| C26 | C21 | C22 | C23 | 0.5° | 1.9° |
| C21 | C26 | N31 | C25 | 173.6° | 179.0° |
| C21 | C26 | C25 | C24 | 1.0° | 1.2° |
| C26 | C21 | C22 | H54 | 179.5° | 178.1° |
| C21 | C26 | C25 | H56 | 179.0° | 178.8° |
| C21 | C26 | N31 | H59 | 108.5° | 13.9° |
| C22 | C23 | C24 | H55 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.2° | 0.7° |
| C22 | C23 | C24 | N37 | 176.5° | 179.3° |
| N31 | C26 | C25 | C24 | 172.6° | 177.8° |
| N31 | C26 | C25 | H56 | 7.4° | 2.2° |
| C26 | C25 | C24 | C23 | 0.7° | 0.3° |
| C26 | C25 | C24 | H56 | 180.0° | 180.0° |
| C26 | C25 | C24 | N37 | 175.9° | 179.7° |
| C25 | C26 | N31 | H59 | 78.0° | 165.1° |
| C23 | C24 | C25 | N37 | 176.5° | 180.0° |
| C23 | C24 | N37 | C38 | 8.0° | 33.1° |
| C24 | C23 | C22 | H54 | 179.1° | 179.6° |
| C23 | C24 | C25 | H56 | 179.3° | 179.7° |
| C23 | C24 | N37 | H67 | 172.1° | 146.9° |
| C25 | C24 | N37 | C38 | 168.4° | 146.9° |
| C25 | C24 | C23 | H55 | 179.8° | 179.2° |
| C25 | C24 | N37 | H67 | 11.6° | 33.1° |
| C24 | N37 | C38 | O40 | 10.9° | 5.1° |
| C24 | N37 | C38 | H67 | 180.0° | 179.9° |
| C24 | N37 | C38 | O39 | 168.9° | 174.9° |
| N37 | C24 | C23 | H55 | 3.6° | 0.8° |
| N37 | C24 | C25 | H56 | 4.1° | 0.3° |
| O40 | C38 | N37 | O39 | 179.8° | 180.0° |
| O40 | C38 | O39 | C41 | 2.2° | 0.0° |
| O40 | C38 | N37 | H67 | 169.1° | 174.8° |
| N37 | C38 | O39 | C41 | 178.0° | 179.9° |
| O39 | C38 | N37 | H67 | 11.1° | 5.2° |
| C38 | O39 | C41 | H69 | 180.0° | 60.0° |
| C38 | O39 | C41 | H68 | 60.0° | 180.0° |
| C38 | O39 | C41 | H70 | 60.0° | 60.0° |
| O39 | C41 | H69 | H68 | 120.0° | 120.0° |
| O39 | C41 | H69 | H70 | 120.0° | 120.1° |
| O39 | C41 | H68 | H70 | 120.0° | 120.1° |
| H48 | C13 | C14 | H49 | 177.2° | 180.0° |
| H51 | C18 | C20 | H52 | 172.7° | 79.6° |
| H51 | C18 | C20 | H53 | 54.8° | 160.5° |
| H51 | C18 | N17 | H50 | 135.8° | 144.9° |
| H52 | C20 | C32 | H61 | 72.2° | 144.2° |
| H52 | C20 | C32 | H60 | 45.3° | 24.2° |
| H53 | C20 | C32 | H61 | 45.6° | 95.9° |
| H53 | C20 | C32 | H60 | 163.1° | 144.0° |
| H54 | C22 | C23 | H55 | 0.8° | 0.3° |
| H64 | C34 | C33 | H62 | 105.1° | 144.9° |
| H64 | C34 | C33 | H63 | 136.1° | 24.8° |
| H64 | C34 | C35 | H65 | 163.2° | 18.1° |
| H64 | C34 | C35 | H66 | 77.9° | 101.9° |
| H64 | C34 | C43 | H73 | 62.8° | 51.3° |
| H64 | C34 | C43 | H72 | 177.2° | 68.7° |
| H64 | C34 | C43 | H71 | 57.2° | 171.3° |
| H62 | C33 | C32 | H61 | 165.5° | 87.4° |
| H62 | C33 | C32 | H60 | 77.1° | 152.5° |
| H63 | C33 | C32 | H61 | 46.7° | 152.5° |
| H63 | C33 | C32 | H60 | 164.1° | 32.4° |
| H44 | C2 | C3 | H45 | 1.4° | 0.1° |
| H57 | N27 | C28 | H58 | 0.1° | 0.3° |
| H69 | C41 | H68 | H70 | 120.0° | 119.9° |
| H73 | C43 | H72 | H71 | 120.0° | 120.0° |
