3Y4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N11 | C12 | doub | 1.31Å | 1.31Å | Aromatic |
| N11 | N10 | sing | 1.28Å | 1.35Å | Aromatic |
| C12 | N8 | sing | 1.35Å | 1.35Å | Aromatic |
| N10 | N9 | doub | 1.29Å | 1.30Å | Aromatic |
| N8 | N9 | sing | 1.41Å | 1.36Å | Aromatic |
| N8 | C7 | sing | 1.40Å | 1.43Å | |
| CL2 | C47 | sing | 1.74Å | 1.72Å | |
| C7 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C41 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C41 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| N49 | C47 | sing | 1.34Å | 1.36Å | Aromatic |
| N49 | C43 | doub | 1.31Å | 1.36Å | Aromatic |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C16 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C32 | sing | 1.51Å | 1.51Å | |
| C29 | C27 | sing | 1.53Å | 1.54Å | |
| C39 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C20 | sing | 1.53Å | 1.55Å | |
| C47 | C46 | doub | 1.36Å | 1.40Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| N25 | C27 | sing | 1.46Å | 1.46Å | |
| N25 | C23 | sing | 1.35Å | 1.34Å | |
| C2 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | CL1 | sing | 1.74Å | 1.74Å | |
| C43 | C27 | sing | 1.51Å | 1.50Å | |
| C43 | N44 | sing | 1.35Å | 1.37Å | Aromatic |
| C20 | C23 | sing | 1.51Å | 1.51Å | |
| C37 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | O24 | doub | 1.21Å | 1.23Å | |
| C46 | N44 | sing | 1.38Å | 1.38Å | Aromatic |
| C46 | C50 | sing | 1.48Å | 1.47Å | |
| C33 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C51 | C50 | doub | 1.40Å | 1.40Å | Aromatic |
| C51 | C53 | sing | 1.38Å | 1.39Å | Aromatic |
| C50 | C58 | sing | 1.40Å | 1.39Å | Aromatic |
| C53 | C55 | doub | 1.39Å | 1.40Å | Aromatic |
| C58 | C56 | doub | 1.38Å | 1.38Å | Aromatic |
| C55 | C56 | sing | 1.39Å | 1.39Å | Aromatic |
| C55 | N60 | sing | 1.40Å | 1.42Å | |
| O63 | C62 | doub | 1.21Å | 1.21Å | |
| N60 | C62 | sing | 1.35Å | 1.36Å | |
| C62 | O64 | sing | 1.35Å | 1.34Å | |
| O64 | C65 | sing | 1.45Å | 1.45Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C27 | H6 | sing | 1.09Å | 1.10Å | |
| C33 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C5 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| N25 | H11 | sing | 0.97Å | 1.00Å | |
| C29 | H12 | sing | 1.09Å | 1.10Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C35 | H14 | sing | 1.08Å | 1.08Å | |
| C37 | H15 | sing | 1.08Å | 1.08Å | |
| C39 | H16 | sing | 1.08Å | 1.08Å | |
| C41 | H17 | sing | 1.08Å | 1.08Å | |
| N44 | H18 | sing | 0.97Å | 1.00Å | |
| C51 | H20 | sing | 1.08Å | 1.08Å | |
| C53 | H21 | sing | 1.08Å | 1.08Å | |
| C56 | H22 | sing | 1.08Å | 1.08Å | |
| C58 | H23 | sing | 1.08Å | 1.08Å | |
| N60 | H24 | sing | 0.97Å | 1.00Å | |
| C65 | H25 | sing | 1.09Å | 1.10Å | |
| C65 | H26 | sing | 1.09Å | 1.10Å | |
| C65 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | N11 | N10 | 105.6° | 110.7° |
| N11 | C12 | N8 | 109.6° | 107.3° |
| N11 | C12 | H5 | 125.2° | 126.4° |
| N11 | N10 | N9 | 111.5° | 110.2° |
| C12 | N8 | N9 | 107.2° | 105.2° |
| C12 | N8 | C7 | 126.5° | 127.4° |
| N8 | C12 | H5 | 125.2° | 126.3° |
| N10 | N9 | N8 | 106.1° | 106.7° |
| N9 | N8 | C7 | 126.4° | 127.4° |
| N8 | C7 | C5 | 119.1° | 120.1° |
| N8 | C7 | C16 | 120.5° | 120.1° |
| CL2 | C47 | N49 | 120.4° | 126.0° |
| CL2 | C47 | C46 | 130.2° | 126.1° |
| C5 | C7 | C16 | 120.3° | 119.8° |
| C7 | C5 | C3 | 120.1° | 120.0° |
| C7 | C5 | H9 | 120.0° | 120.0° |
| C7 | C16 | C17 | 123.0° | 120.0° |
| C7 | C16 | C14 | 118.9° | 120.0° |
| C5 | C3 | C2 | 119.2° | 120.1° |
| C5 | C3 | H8 | 120.4° | 120.0° |
| C3 | C5 | H9 | 120.0° | 120.0° |
| C39 | C41 | C32 | 120.7° | 120.0° |
| C41 | C39 | C37 | 120.2° | 120.0° |
| C41 | C39 | H16 | 119.9° | 120.0° |
| C39 | C41 | H17 | 119.7° | 120.0° |
| C41 | C32 | C29 | 120.7° | 120.0° |
| C41 | C32 | C33 | 118.1° | 120.0° |
| C32 | C41 | H17 | 119.6° | 119.9° |
| C47 | N49 | C43 | 107.0° | 109.5° |
| N49 | C47 | C46 | 109.4° | 107.9° |
| N49 | C43 | C27 | 127.1° | 125.4° |
| N49 | C43 | N44 | 109.6° | 109.1° |
| C17 | C16 | C14 | 118.0° | 120.0° |
| C16 | C17 | C20 | 109.3° | 109.5° |
| C16 | C17 | H1 | 109.5° | 109.5° |
| C16 | C17 | H2 | 109.5° | 109.5° |
| C16 | C14 | C2 | 120.0° | 120.0° |
| C16 | C14 | H10 | 120.0° | 120.0° |
| C3 | C2 | C14 | 121.5° | 120.1° |
| C3 | C2 | CL1 | 119.4° | 120.0° |
| C2 | C3 | H8 | 120.4° | 119.9° |
| C32 | C29 | C27 | 112.1° | 109.5° |
| C29 | C32 | C33 | 120.7° | 120.0° |
| C32 | C29 | H12 | 108.8° | 109.5° |
| C32 | C29 | H13 | 108.8° | 109.5° |
| C29 | C27 | N25 | 113.7° | 109.5° |
| C29 | C27 | C43 | 111.7° | 109.5° |
| C29 | C27 | H6 | 105.2° | 109.4° |
| C27 | C29 | H12 | 108.8° | 109.5° |
| C27 | C29 | H13 | 108.8° | 109.5° |
| C39 | C37 | C35 | 119.6° | 120.0° |
| C39 | C37 | H15 | 120.2° | 120.0° |
| C37 | C39 | H16 | 119.9° | 120.0° |
| C17 | C20 | C23 | 119.4° | 109.5° |
| C20 | C17 | H1 | 109.5° | 109.5° |
| C20 | C17 | H2 | 109.5° | 109.4° |
| C17 | C20 | H3 | 106.9° | 109.5° |
| C17 | C20 | H4 | 106.9° | 109.5° |
| C47 | C46 | N44 | 106.0° | 106.5° |
| C47 | C46 | C50 | 133.9° | 126.8° |
| C32 | C33 | C35 | 121.0° | 120.0° |
| C32 | C33 | H7 | 119.5° | 120.0° |
| C27 | N25 | C23 | 119.3° | 120.0° |
| N25 | C27 | C43 | 113.4° | 109.5° |
| N25 | C27 | H6 | 106.1° | 109.5° |
| C27 | N25 | H11 | 120.3° | 120.1° |
| N25 | C23 | C20 | 116.6° | 120.0° |
| N25 | C23 | O24 | 122.8° | 120.0° |
| C23 | N25 | H11 | 120.4° | 119.9° |
| C14 | C2 | CL1 | 119.1° | 119.9° |
| C2 | C14 | H10 | 120.0° | 120.0° |
| C27 | C43 | N44 | 123.2° | 125.5° |
| C43 | C27 | H6 | 105.7° | 109.5° |
| C43 | N44 | C46 | 108.0° | 107.1° |
| C43 | N44 | H18 | 126.0° | 126.4° |
| C20 | C23 | O24 | 120.7° | 120.0° |
| C23 | C20 | H3 | 106.9° | 109.4° |
| C23 | C20 | H4 | 106.9° | 109.5° |
| C37 | C35 | C33 | 120.3° | 120.0° |
| C37 | C35 | H14 | 119.9° | 120.0° |
| C35 | C37 | H15 | 120.2° | 120.0° |
| N44 | C46 | C50 | 120.1° | 126.8° |
| C46 | N44 | H18 | 126.0° | 126.5° |
| C46 | C50 | C51 | 120.9° | 120.1° |
| C46 | C50 | C58 | 120.3° | 120.1° |
| C35 | C33 | H7 | 119.5° | 120.0° |
| C33 | C35 | H14 | 119.9° | 120.0° |
| C50 | C51 | C53 | 120.5° | 119.9° |
| C51 | C50 | C58 | 118.7° | 119.8° |
| C50 | C51 | H20 | 119.7° | 120.0° |
| C51 | C53 | C55 | 120.3° | 120.1° |
| C53 | C51 | H20 | 119.8° | 120.1° |
| C51 | C53 | H21 | 119.9° | 119.9° |
| C50 | C58 | C56 | 120.9° | 119.9° |
| C50 | C58 | H23 | 119.5° | 120.1° |
| C53 | C55 | C56 | 119.2° | 120.2° |
| C53 | C55 | N60 | 124.4° | 119.9° |
| C55 | C53 | H21 | 119.9° | 120.0° |
| C58 | C56 | C55 | 120.3° | 120.0° |
| C58 | C56 | H22 | 119.8° | 120.0° |
| C56 | C58 | H23 | 119.6° | 120.0° |
| C56 | C55 | N60 | 116.4° | 119.9° |
| C55 | C56 | H22 | 119.8° | 120.0° |
| C55 | N60 | C62 | 127.4° | 120.0° |
| C55 | N60 | H24 | 116.3° | 120.0° |
| O63 | C62 | N60 | 126.7° | 120.0° |
| O63 | C62 | O64 | 124.4° | 120.0° |
| N60 | C62 | O64 | 108.9° | 120.0° |
| C62 | N60 | H24 | 116.3° | 120.0° |
| C62 | O64 | C65 | 116.1° | 117.0° |
| O64 | C65 | H25 | 109.5° | 109.5° |
| O64 | C65 | H26 | 109.5° | 109.5° |
| O64 | C65 | H27 | 109.5° | 109.5° |
| H1 | C17 | H2 | 109.5° | 109.5° |
| H3 | C20 | H4 | 109.5° | 109.5° |
| H12 | C29 | H13 | 109.5° | 109.4° |
| H25 | C65 | H26 | 109.5° | 109.4° |
| H25 | C65 | H27 | 109.5° | 109.5° |
| H26 | C65 | H27 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N11 | C12 | N8 | H5 | 180.0° | 179.7° |
| C12 | N11 | N10 | N9 | 0.6° | 0.5° |
| N11 | C12 | N8 | N9 | 0.2° | 0.2° |
| N11 | C12 | N8 | C7 | 178.2° | 179.7° |
| N10 | N11 | C12 | N8 | 0.2° | 0.4° |
| N11 | N10 | N9 | N8 | 0.7° | 0.3° |
| N10 | N11 | C12 | H5 | 179.8° | 179.8° |
| C12 | N8 | N9 | N10 | 0.6° | 0.0° |
| C12 | N8 | N9 | C7 | 178.4° | 179.9° |
| C12 | N8 | C7 | C5 | 68.5° | 3.9° |
| C12 | N8 | C7 | C16 | 110.7° | 176.0° |
| N10 | N9 | N8 | C7 | 177.9° | 180.0° |
| N9 | N8 | C7 | C5 | 113.3° | 176.0° |
| N9 | N8 | C7 | C16 | 67.5° | 4.1° |
| N9 | N8 | C12 | H5 | 179.8° | 180.0° |
| N8 | C7 | C5 | C16 | 179.2° | 180.0° |
| N8 | C7 | C5 | C3 | 178.9° | 179.9° |
| N8 | C7 | C16 | C17 | 4.7° | 0.1° |
| N8 | C7 | C16 | C14 | 179.1° | 179.8° |
| C7 | N8 | C12 | H5 | 1.8° | 0.0° |
| N8 | C7 | C5 | H9 | 1.1° | 0.2° |
| CL2 | C47 | N49 | C46 | 179.5° | 179.8° |
| CL2 | C47 | N49 | C43 | 179.7° | 179.8° |
| CL2 | C47 | C46 | N44 | 179.4° | 180.0° |
| CL2 | C47 | C46 | C50 | 2.2° | 0.0° |
| C7 | C5 | C3 | H9 | 180.0° | 179.7° |
| C5 | C7 | C16 | C17 | 176.1° | 180.0° |
| C5 | C7 | C16 | C14 | 0.1° | 0.3° |
| C7 | C5 | C3 | C2 | 0.3° | 0.3° |
| C7 | C5 | C3 | H8 | 179.7° | 180.0° |
| C16 | C7 | C5 | C3 | 0.3° | 0.0° |
| C7 | C16 | C17 | C14 | 176.2° | 179.7° |
| C7 | C16 | C17 | C20 | 83.6° | 80.0° |
| C7 | C16 | C14 | C2 | 0.2° | 0.3° |
| C7 | C16 | C17 | H1 | 156.4° | 160.0° |
| C7 | C16 | C17 | H2 | 36.4° | 40.0° |
| C16 | C7 | C5 | H9 | 179.7° | 179.7° |
| C7 | C16 | C14 | H10 | 179.9° | 179.7° |
| C5 | C3 | C2 | H8 | 180.0° | 179.7° |
| C5 | C3 | C2 | C14 | 0.0° | 0.3° |
| C5 | C3 | C2 | CL1 | 179.2° | 179.7° |
| C39 | C41 | C32 | H17 | 180.0° | 179.1° |
| C39 | C41 | C32 | C29 | 168.8° | 179.4° |
| C41 | C39 | C37 | H16 | 180.0° | 179.4° |
| C39 | C41 | C32 | C33 | 3.1° | 0.6° |
| C41 | C39 | C37 | C35 | 1.4° | 0.7° |
| C41 | C39 | C37 | H15 | 178.7° | 179.4° |
| C41 | C32 | C29 | C33 | 171.7° | 180.0° |
| C41 | C32 | C29 | C27 | 106.7° | 83.9° |
| C32 | C41 | C39 | C37 | 0.7° | 0.9° |
| C41 | C32 | C33 | C35 | 3.5° | 0.0° |
| C41 | C32 | C33 | H7 | 176.5° | 179.7° |
| C41 | C32 | C29 | H12 | 13.7° | 156.1° |
| C41 | C32 | C29 | H13 | 132.9° | 36.1° |
| C32 | C41 | C39 | H16 | 179.3° | 179.7° |
| C47 | N49 | C43 | C27 | 176.3° | 179.9° |
| C47 | N49 | C43 | N44 | 0.3° | 0.4° |
| N49 | C47 | C46 | N44 | 0.0° | 0.3° |
| N49 | C47 | C46 | C50 | 178.4° | 179.8° |
| N49 | C43 | C27 | C29 | 64.7° | 55.3° |
| C43 | N49 | C47 | C46 | 0.2° | 0.4° |
| N49 | C43 | C27 | N25 | 65.5° | 175.3° |
| N49 | C43 | C27 | N44 | 176.2° | 179.7° |
| N49 | C43 | N44 | C46 | 0.3° | 0.3° |
| N49 | C43 | C27 | H6 | 178.7° | 64.7° |
| N49 | C43 | N44 | H18 | 179.7° | 179.7° |
| C16 | C17 | C20 | H1 | 120.0° | 120.0° |
| C16 | C17 | C20 | H2 | 120.0° | 120.0° |
| C17 | C16 | C14 | C2 | 176.5° | 180.0° |
| C16 | C17 | C20 | C23 | 175.5° | 175.9° |
| C16 | C17 | H1 | H2 | 120.1° | 120.0° |
| C16 | C17 | C20 | H3 | 63.1° | 64.1° |
| C16 | C17 | C20 | H4 | 54.1° | 55.9° |
| C17 | C16 | C14 | H10 | 3.5° | 0.0° |
| C16 | C14 | C2 | C3 | 0.2° | 0.0° |
| C14 | C16 | C17 | C20 | 92.6° | 100.3° |
| C16 | C14 | C2 | H10 | 180.0° | 180.0° |
| C16 | C14 | C2 | CL1 | 179.4° | 180.0° |
| C14 | C16 | C17 | H1 | 27.3° | 19.7° |
| C14 | C16 | C17 | H2 | 147.4° | 139.7° |
| C3 | C2 | C14 | CL1 | 179.2° | 180.0° |
| C2 | C3 | C5 | H9 | 179.7° | 180.0° |
| C3 | C2 | C14 | H10 | 179.8° | 180.0° |
| C32 | C29 | C27 | H12 | 120.4° | 120.0° |
| C32 | C29 | C27 | H13 | 120.4° | 120.1° |
| C32 | C29 | C27 | N25 | 177.3° | 65.8° |
| C32 | C29 | C27 | C43 | 52.7° | 174.2° |
| C29 | C32 | C33 | C35 | 168.4° | 180.0° |
| C32 | C29 | C27 | H6 | 61.6° | 54.2° |
| C29 | C32 | C33 | H7 | 11.6° | 0.3° |
| C32 | C29 | H12 | H13 | 118.8° | 120.0° |
| C29 | C32 | C41 | H17 | 11.2° | 0.3° |
| C27 | C29 | C32 | C33 | 65.0° | 96.1° |
| C29 | C27 | N25 | C43 | 129.2° | 120.0° |
| C29 | C27 | N25 | H6 | 115.2° | 120.0° |
| C29 | C27 | N25 | C23 | 152.0° | 96.4° |
| C29 | C27 | C43 | H6 | 114.0° | 120.0° |
| C29 | C27 | C43 | N44 | 111.4° | 125.0° |
| C29 | C27 | N25 | H11 | 28.0° | 83.6° |
| C27 | C29 | H12 | H13 | 118.8° | 120.0° |
| C39 | C37 | C35 | H15 | 180.0° | 179.9° |
| C39 | C37 | C35 | C33 | 1.0° | 0.1° |
| C39 | C37 | C35 | H14 | 179.0° | 180.0° |
| C37 | C39 | C41 | H17 | 179.3° | 180.0° |
| C17 | C20 | C23 | N25 | 27.1° | 174.4° |
| C17 | C20 | C23 | H3 | 121.4° | 120.0° |
| C17 | C20 | C23 | H4 | 121.4° | 120.0° |
| C17 | C20 | C23 | O24 | 153.4° | 5.6° |
| C20 | C17 | H1 | H2 | 120.0° | 120.0° |
| C17 | C20 | H3 | H4 | 115.5° | 120.0° |
| C47 | C46 | N44 | C43 | 0.2° | 0.0° |
| C47 | C46 | N44 | C50 | 178.6° | 180.0° |
| C47 | C46 | C50 | C51 | 27.7° | 135.3° |
| C47 | C46 | C50 | C58 | 150.5° | 45.0° |
| C47 | C46 | N44 | H18 | 179.8° | 180.0° |
| C32 | C33 | C35 | C37 | 1.5° | 0.2° |
| C32 | C33 | C35 | H7 | 180.0° | 179.7° |
| C33 | C32 | C29 | H12 | 174.6° | 23.9° |
| C33 | C32 | C29 | H13 | 55.3° | 143.9° |
| C32 | C33 | C35 | H14 | 178.5° | 179.7° |
| C33 | C32 | C41 | H17 | 176.8° | 179.7° |
| C27 | N25 | C23 | H11 | 180.0° | 180.0° |
| N25 | C27 | C43 | H6 | 115.8° | 120.0° |
| N25 | C27 | C43 | N44 | 118.4° | 5.0° |
| C27 | N25 | C23 | C20 | 177.1° | 174.6° |
| C27 | N25 | C23 | O24 | 3.4° | 5.3° |
| N25 | C27 | C29 | H12 | 62.3° | 54.2° |
| N25 | C27 | C29 | H13 | 56.9° | 174.1° |
| C23 | N25 | C27 | C43 | 78.8° | 143.6° |
| N25 | C23 | C20 | O24 | 179.5° | 180.0° |
| N25 | C23 | C20 | H3 | 94.3° | 65.6° |
| N25 | C23 | C20 | H4 | 148.5° | 54.3° |
| C23 | N25 | C27 | H6 | 36.8° | 23.6° |
| C14 | C2 | C3 | H8 | 180.0° | 180.0° |
| CL1 | C2 | C3 | H8 | 0.8° | 0.0° |
| CL1 | C2 | C14 | H10 | 0.6° | 0.0° |
| C27 | C43 | N44 | C46 | 176.5° | 180.0° |
| C43 | C27 | N25 | H11 | 101.2° | 36.4° |
| C43 | C27 | C29 | H12 | 67.7° | 65.8° |
| C43 | C27 | C29 | H13 | 173.1° | 54.1° |
| C27 | C43 | N44 | H18 | 3.6° | 0.0° |
| C43 | N44 | C46 | H18 | 180.0° | 180.0° |
| C43 | N44 | C46 | C50 | 178.5° | 180.0° |
| N44 | C43 | C27 | H6 | 2.5° | 115.0° |
| C23 | C20 | C17 | H1 | 55.5° | 55.9° |
| C23 | C20 | C17 | H2 | 64.5° | 64.1° |
| C23 | C20 | H3 | H4 | 115.5° | 120.0° |
| C20 | C23 | N25 | H11 | 2.9° | 5.3° |
| C37 | C35 | C33 | H14 | 180.0° | 179.9° |
| C37 | C35 | C33 | H7 | 178.5° | 179.9° |
| C35 | C37 | C39 | H16 | 178.6° | 180.0° |
| O24 | C23 | C20 | H3 | 85.2° | 114.4° |
| O24 | C23 | C20 | H4 | 32.0° | 125.6° |
| O24 | C23 | N25 | H11 | 176.6° | 174.7° |
| N44 | C46 | C50 | C51 | 154.1° | 44.7° |
| N44 | C46 | C50 | C58 | 27.6° | 135.0° |
| C46 | C50 | C51 | C58 | 178.3° | 179.7° |
| C46 | C50 | C51 | C53 | 176.2° | 180.0° |
| C46 | C50 | C58 | C56 | 177.5° | 179.7° |
| C50 | C46 | N44 | H18 | 1.6° | 0.0° |
| C46 | C50 | C51 | H20 | 3.8° | 0.1° |
| C46 | C50 | C58 | H23 | 2.6° | 0.1° |
| C33 | C35 | C37 | H15 | 179.1° | 180.0° |
| C50 | C51 | C53 | H20 | 180.0° | 179.9° |
| C50 | C51 | C53 | C55 | 1.7° | 0.0° |
| C51 | C50 | C58 | C56 | 0.8° | 0.6° |
| C50 | C51 | C53 | H21 | 178.3° | 180.0° |
| C51 | C50 | C58 | H23 | 179.1° | 179.7° |
| C53 | C51 | C50 | C58 | 2.1° | 0.3° |
| C51 | C53 | C55 | H21 | 180.0° | 180.0° |
| C51 | C53 | C55 | C56 | 0.0° | 0.0° |
| C51 | C53 | C55 | N60 | 178.7° | 180.0° |
| C50 | C58 | C56 | H23 | 180.0° | 179.7° |
| C50 | C58 | C56 | C55 | 0.9° | 0.5° |
| C58 | C50 | C51 | H20 | 177.9° | 179.8° |
| C50 | C58 | C56 | H22 | 179.1° | 179.7° |
| C53 | C55 | C56 | C58 | 1.3° | 0.2° |
| C53 | C55 | C56 | N60 | 178.8° | 180.0° |
| C53 | C55 | N60 | C62 | 4.7° | 33.6° |
| C55 | C53 | C51 | H20 | 178.3° | 179.9° |
| C53 | C55 | C56 | H22 | 178.7° | 180.0° |
| C53 | C55 | N60 | H24 | 175.3° | 146.4° |
| C58 | C56 | C55 | H22 | 180.0° | 179.7° |
| C58 | C56 | C55 | N60 | 177.5° | 179.7° |
| C56 | C55 | N60 | C62 | 176.6° | 146.3° |
| C56 | C55 | C53 | H21 | 180.0° | 180.0° |
| C55 | C56 | C58 | H23 | 179.2° | 179.8° |
| C56 | C55 | N60 | H24 | 3.4° | 33.6° |
| C55 | N60 | C62 | O63 | 6.5° | 5.1° |
| C55 | N60 | C62 | H24 | 180.0° | 180.0° |
| C55 | N60 | C62 | O64 | 173.4° | 174.8° |
| N60 | C55 | C53 | H21 | 1.3° | 0.0° |
| N60 | C55 | C56 | H22 | 2.5° | 0.0° |
| O63 | C62 | N60 | O64 | 179.9° | 179.9° |
| O63 | C62 | O64 | C65 | 8.8° | 0.1° |
| O63 | C62 | N60 | H24 | 173.5° | 174.9° |
| N60 | C62 | O64 | C65 | 171.3° | 180.0° |
| O64 | C62 | N60 | H24 | 6.6° | 5.2° |
| C62 | O64 | C65 | H25 | 180.0° | 60.0° |
| C62 | O64 | C65 | H26 | 60.0° | 179.9° |
| C62 | O64 | C65 | H27 | 60.0° | 60.0° |
| O64 | C65 | H25 | H26 | 120.0° | 120.0° |
| O64 | C65 | H25 | H27 | 120.0° | 120.0° |
| O64 | C65 | H26 | H27 | 120.0° | 120.0° |
| H1 | C17 | C20 | H3 | 176.9° | 175.9° |
| H1 | C17 | C20 | H4 | 65.9° | 64.1° |
| H2 | C17 | C20 | H3 | 56.9° | 55.9° |
| H2 | C17 | C20 | H4 | 174.1° | 175.9° |
| H6 | C27 | N25 | H11 | 143.2° | 156.4° |
| H6 | C27 | C29 | H12 | 178.1° | 174.2° |
| H6 | C27 | C29 | H13 | 58.9° | 65.8° |
| H7 | C33 | C35 | H14 | 1.5° | 0.0° |
| H8 | C3 | C5 | H9 | 0.3° | 0.3° |
| H14 | C35 | C37 | H15 | 0.9° | 0.0° |
| H15 | C37 | C39 | H16 | 1.4° | 0.0° |
| H16 | C39 | C41 | H17 | 0.7° | 0.6° |
| H20 | C51 | C53 | H21 | 1.7° | 0.1° |
| H22 | C56 | C58 | H23 | 0.8° | 0.0° |
| H25 | C65 | H26 | H27 | 120.0° | 120.0° |
