1YN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL8 | C45 | sing | 1.74Å | 1.70Å | |
| C45 | C44 | doub | 1.38Å | 1.41Å | Aromatic |
| C45 | C46 | sing | 1.38Å | 1.38Å | Aromatic |
| C44 | C43 | sing | 1.38Å | 1.42Å | Aromatic |
| C46 | C47 | doub | 1.38Å | 1.40Å | Aromatic |
| C43 | CL9 | sing | 1.74Å | 1.70Å | |
| C43 | C42 | doub | 1.38Å | 1.37Å | Aromatic |
| C47 | C42 | sing | 1.38Å | 1.41Å | Aromatic |
| C42 | C34 | sing | 1.51Å | 1.48Å | |
| O33 | C32 | sing | 1.45Å | 1.38Å | |
| O33 | C34 | sing | 1.44Å | 1.40Å | |
| C32 | C31 | sing | 1.55Å | 1.46Å | |
| C34 | O35 | sing | 1.43Å | 1.40Å | |
| C34 | C36 | sing | 1.53Å | 1.54Å | |
| C31 | O35 | sing | 1.44Å | 1.37Å | |
| C31 | C30 | sing | 1.53Å | 1.46Å | |
| C36 | N37 | sing | 1.46Å | 1.45Å | |
| O29 | C30 | sing | 1.43Å | 1.41Å | |
| O29 | C26 | sing | 1.36Å | 1.43Å | |
| N37 | N41 | sing | 1.40Å | 1.35Å | Aromatic |
| N37 | C38 | sing | 1.34Å | 1.33Å | Aromatic |
| N41 | C40 | doub | 1.31Å | 1.33Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.44Å | Aromatic |
| C40 | N39 | sing | 1.33Å | 1.37Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C38 | N39 | doub | 1.31Å | 1.38Å | Aromatic |
| C24 | C23 | doub | 1.39Å | 1.43Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | N20 | sing | 1.40Å | 1.47Å | |
| C02 | C03 | sing | 1.53Å | 1.50Å | |
| N20 | C19 | sing | 1.47Å | 1.45Å | |
| N20 | C21 | sing | 1.47Å | 1.45Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | N17 | sing | 1.47Å | 1.45Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.43Å | Aromatic |
| C22 | C21 | sing | 1.53Å | 1.51Å | |
| C22 | N17 | sing | 1.47Å | 1.43Å | |
| N10 | C09 | doub | 1.29Å | 1.36Å | |
| N10 | N05 | sing | 1.40Å | 1.34Å | |
| C09 | N08 | sing | 1.38Å | 1.37Å | |
| C03 | N05 | sing | 1.46Å | 1.45Å | |
| C03 | C04 | sing | 1.53Å | 1.47Å | |
| N05 | C06 | sing | 1.35Å | 1.33Å | |
| C11 | N08 | sing | 1.40Å | 1.46Å | |
| C11 | C16 | doub | 1.39Å | 1.43Å | Aromatic |
| O07 | C06 | doub | 1.22Å | 1.23Å | |
| C14 | N17 | sing | 1.40Å | 1.50Å | |
| C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| N08 | C06 | sing | 1.35Å | 1.42Å | |
| C16 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | H25 | sing | 1.08Å | 1.08Å | |
| C28 | H26 | sing | 1.08Å | 1.08Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C36 | H32 | sing | 1.09Å | 1.10Å | |
| C36 | H33 | sing | 1.09Å | 1.10Å | |
| C38 | H34 | sing | 1.08Å | 1.08Å | |
| C40 | H35 | sing | 1.08Å | 1.08Å | |
| C44 | H36 | sing | 1.08Å | 1.08Å | |
| C46 | H37 | sing | 1.08Å | 1.08Å | |
| C47 | H38 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL8 | C45 | C44 | 122.1° | 120.0° |
| CL8 | C45 | C46 | 118.3° | 120.0° |
| C44 | C45 | C46 | 119.6° | 120.0° |
| C45 | C44 | C43 | 119.7° | 119.9° |
| C45 | C44 | H36 | 120.1° | 120.0° |
| C45 | C46 | C47 | 120.1° | 120.0° |
| C45 | C46 | H37 | 120.0° | 120.0° |
| C44 | C43 | CL9 | 119.2° | 119.9° |
| C44 | C43 | C42 | 119.3° | 120.0° |
| C43 | C44 | H36 | 120.1° | 120.0° |
| C46 | C47 | C42 | 120.0° | 120.1° |
| C47 | C46 | H37 | 120.0° | 120.0° |
| C46 | C47 | H38 | 120.0° | 119.9° |
| CL9 | C43 | C42 | 121.3° | 120.0° |
| C43 | C42 | C47 | 118.7° | 120.0° |
| C43 | C42 | C34 | 119.8° | 120.0° |
| C47 | C42 | C34 | 118.6° | 120.0° |
| C42 | C47 | H38 | 120.0° | 120.0° |
| C42 | C34 | O33 | 104.6° | 109.6° |
| C42 | C34 | O35 | 111.0° | 109.6° |
| C42 | C34 | C36 | 110.0° | 109.5° |
| C32 | O33 | C34 | 107.4° | 104.8° |
| O33 | C32 | C31 | 105.3° | 101.7° |
| O33 | C32 | H30 | 110.5° | 111.0° |
| O33 | C32 | H31 | 110.5° | 111.0° |
| O33 | C34 | O35 | 107.6° | 108.8° |
| O33 | C34 | C36 | 115.5° | 109.7° |
| C32 | C31 | O35 | 104.9° | 103.1° |
| C32 | C31 | C30 | 106.9° | 110.7° |
| C32 | C31 | H29 | 110.9° | 110.8° |
| C31 | C32 | H30 | 110.5° | 111.0° |
| C31 | C32 | H31 | 110.5° | 110.9° |
| O35 | C34 | C36 | 108.0° | 109.7° |
| C34 | O35 | C31 | 108.3° | 107.3° |
| C34 | C36 | N37 | 110.2° | 109.5° |
| C34 | C36 | H32 | 109.3° | 109.5° |
| C34 | C36 | H33 | 109.3° | 109.4° |
| O35 | C31 | C30 | 110.6° | 110.7° |
| O35 | C31 | H29 | 112.3° | 110.7° |
| C31 | C30 | O29 | 114.6° | 109.5° |
| C31 | C30 | H27 | 108.2° | 109.5° |
| C31 | C30 | H28 | 108.2° | 109.5° |
| C30 | C31 | H29 | 110.9° | 110.6° |
| C36 | N37 | N41 | 125.3° | 126.8° |
| C36 | N37 | C38 | 125.5° | 126.8° |
| N37 | C36 | H32 | 109.3° | 109.5° |
| N37 | C36 | H33 | 109.3° | 109.5° |
| C30 | O29 | C26 | 123.3° | 117.0° |
| O29 | C30 | H27 | 108.2° | 109.5° |
| O29 | C30 | H28 | 108.2° | 109.4° |
| O29 | C26 | C25 | 118.2° | 120.0° |
| O29 | C26 | C27 | 122.5° | 120.0° |
| N41 | N37 | C38 | 108.3° | 106.3° |
| N37 | N41 | C40 | 109.1° | 106.8° |
| N37 | C38 | N39 | 107.8° | 108.1° |
| N37 | C38 | H34 | 126.1° | 126.0° |
| N41 | C40 | N39 | 107.2° | 108.9° |
| N41 | C40 | H35 | 126.4° | 125.5° |
| C26 | C25 | C24 | 119.7° | 120.0° |
| C25 | C26 | C27 | 119.2° | 120.1° |
| C26 | C25 | H24 | 120.1° | 120.0° |
| C25 | C24 | C23 | 120.1° | 120.0° |
| C25 | C24 | H23 | 120.0° | 120.1° |
| C24 | C25 | H24 | 120.1° | 120.0° |
| C26 | C27 | C28 | 120.0° | 120.0° |
| C26 | C27 | H25 | 120.0° | 120.0° |
| C40 | N39 | C38 | 106.6° | 109.8° |
| N39 | C40 | H35 | 126.4° | 125.5° |
| C01 | C02 | C03 | 117.6° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C01 | C02 | H5 | 107.4° | 109.5° |
| C01 | C02 | H6 | 107.4° | 109.5° |
| N39 | C38 | H34 | 126.1° | 125.9° |
| C24 | C23 | C28 | 118.2° | 120.0° |
| C24 | C23 | N20 | 118.2° | 120.0° |
| C23 | C24 | H23 | 120.0° | 120.0° |
| C27 | C28 | C23 | 120.4° | 120.0° |
| C28 | C27 | H25 | 120.0° | 120.0° |
| C27 | C28 | H26 | 119.8° | 120.0° |
| C28 | C23 | N20 | 120.7° | 120.0° |
| C23 | C28 | H26 | 119.8° | 120.0° |
| C23 | N20 | C19 | 118.2° | 111.0° |
| C23 | N20 | C21 | 126.9° | 111.0° |
| C02 | C03 | N05 | 109.8° | 109.5° |
| C02 | C03 | C04 | 110.8° | 109.4° |
| C03 | C02 | H5 | 107.4° | 109.5° |
| C03 | C02 | H6 | 107.4° | 109.4° |
| C02 | C03 | H7 | 107.7° | 109.4° |
| C19 | N20 | C21 | 114.9° | 110.9° |
| N20 | C19 | C18 | 113.8° | 109.4° |
| N20 | C19 | H17 | 108.3° | 109.5° |
| N20 | C19 | H18 | 108.4° | 109.5° |
| N20 | C21 | C22 | 112.7° | 109.4° |
| N20 | C21 | H19 | 108.7° | 109.4° |
| N20 | C21 | H20 | 108.7° | 109.5° |
| C19 | C18 | N17 | 110.4° | 109.3° |
| C19 | C18 | H15 | 109.2° | 109.5° |
| C19 | C18 | H16 | 109.2° | 109.5° |
| C18 | C19 | H17 | 108.4° | 109.5° |
| C18 | C19 | H18 | 108.3° | 109.5° |
| C18 | N17 | C22 | 112.1° | 110.8° |
| C18 | N17 | C14 | 102.3° | 110.9° |
| N17 | C18 | H15 | 109.2° | 109.5° |
| N17 | C18 | H16 | 109.2° | 109.5° |
| C13 | C12 | C11 | 121.0° | 120.0° |
| C12 | C13 | C14 | 119.5° | 120.0° |
| C13 | C12 | H1 | 119.5° | 120.0° |
| C12 | C13 | H12 | 120.3° | 120.0° |
| C12 | C11 | N08 | 120.5° | 120.0° |
| C12 | C11 | C16 | 118.7° | 120.0° |
| C11 | C12 | H1 | 119.5° | 120.0° |
| C13 | C14 | N17 | 120.7° | 120.0° |
| C13 | C14 | C15 | 117.4° | 120.0° |
| C14 | C13 | H12 | 120.2° | 120.0° |
| C21 | C22 | N17 | 111.0° | 109.4° |
| C22 | C21 | H19 | 108.6° | 109.5° |
| C22 | C21 | H20 | 108.7° | 109.5° |
| C21 | C22 | H21 | 109.1° | 109.5° |
| C21 | C22 | H22 | 109.1° | 109.5° |
| C22 | N17 | C14 | 122.3° | 111.0° |
| N17 | C22 | H21 | 109.1° | 109.5° |
| N17 | C22 | H22 | 109.1° | 109.4° |
| C09 | N10 | N05 | 108.9° | 108.2° |
| N10 | C09 | N08 | 108.2° | 108.8° |
| N10 | C09 | H11 | 125.9° | 125.7° |
| N10 | N05 | C03 | 125.9° | 126.3° |
| N10 | N05 | C06 | 109.0° | 107.3° |
| C09 | N08 | C11 | 125.7° | 125.8° |
| C09 | N08 | C06 | 105.4° | 108.4° |
| N08 | C09 | H11 | 125.9° | 125.6° |
| N05 | C03 | C04 | 112.0° | 109.5° |
| C03 | N05 | C06 | 124.9° | 126.4° |
| N05 | C03 | H7 | 108.3° | 109.5° |
| C04 | C03 | H7 | 108.1° | 109.5° |
| C03 | C04 | H8 | 109.5° | 109.4° |
| C03 | C04 | H9 | 109.5° | 109.5° |
| C03 | C04 | H10 | 109.5° | 109.5° |
| N05 | C06 | O07 | 123.6° | 126.3° |
| N05 | C06 | N08 | 108.3° | 107.4° |
| N08 | C11 | C16 | 119.5° | 120.0° |
| C11 | N08 | C06 | 127.4° | 125.8° |
| C11 | C16 | C15 | 119.2° | 120.0° |
| C11 | C16 | H14 | 120.4° | 120.0° |
| O07 | C06 | N08 | 126.0° | 126.4° |
| N17 | C14 | C15 | 119.6° | 120.0° |
| C14 | C15 | C16 | 118.6° | 120.0° |
| C14 | C15 | H13 | 120.7° | 120.0° |
| C16 | C15 | H13 | 120.7° | 120.0° |
| C15 | C16 | H14 | 120.4° | 120.0° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H5 | C02 | H6 | 109.5° | 109.5° |
| H8 | C04 | H9 | 109.5° | 109.5° |
| H8 | C04 | H10 | 109.4° | 109.4° |
| H9 | C04 | H10 | 109.5° | 109.5° |
| H15 | C18 | H16 | 109.5° | 109.5° |
| H17 | C19 | H18 | 109.5° | 109.5° |
| H19 | C21 | H20 | 109.4° | 109.5° |
| H21 | C22 | H22 | 109.5° | 109.5° |
| H27 | C30 | H28 | 109.5° | 109.5° |
| H30 | C32 | H31 | 109.5° | 110.9° |
| H32 | C36 | H33 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL8 | C45 | C44 | C46 | 177.9° | 180.0° |
| CL8 | C45 | C44 | C43 | 176.1° | 180.0° |
| CL8 | C45 | C46 | C47 | 178.8° | 179.7° |
| CL8 | C45 | C44 | H36 | 4.0° | 0.0° |
| CL8 | C45 | C46 | H37 | 1.2° | 0.0° |
| C45 | C44 | C43 | H36 | 180.0° | 180.0° |
| C44 | C45 | C46 | C47 | 3.2° | 0.3° |
| C45 | C44 | C43 | CL9 | 171.6° | 180.0° |
| C45 | C44 | C43 | C42 | 14.2° | 0.0° |
| C44 | C45 | C46 | H37 | 176.8° | 179.9° |
| C46 | C45 | C44 | C43 | 6.0° | 0.0° |
| C45 | C46 | C47 | H37 | 180.0° | 179.8° |
| C45 | C46 | C47 | C42 | 8.4° | 0.6° |
| C46 | C45 | C44 | H36 | 173.9° | 180.0° |
| C45 | C46 | C47 | H38 | 171.6° | 180.0° |
| C44 | C43 | CL9 | C42 | 174.1° | 179.9° |
| C44 | C43 | C42 | C47 | 19.2° | 0.3° |
| C44 | C43 | C42 | C34 | 179.9° | 180.0° |
| C46 | C47 | C42 | C43 | 16.5° | 0.6° |
| C46 | C47 | C42 | H38 | 180.0° | 179.4° |
| C46 | C47 | C42 | C34 | 177.4° | 179.7° |
| CL9 | C43 | C42 | C47 | 166.7° | 179.8° |
| CL9 | C43 | C42 | C34 | 6.0° | 0.0° |
| CL9 | C43 | C44 | H36 | 8.5° | 0.1° |
| C43 | C42 | C47 | C34 | 160.9° | 179.7° |
| C43 | C42 | C34 | O33 | 57.9° | 65.4° |
| C43 | C42 | C34 | O35 | 173.7° | 53.9° |
| C43 | C42 | C34 | C36 | 66.8° | 174.3° |
| C42 | C43 | C44 | H36 | 165.7° | 180.0° |
| C43 | C42 | C47 | H38 | 163.5° | 180.0° |
| C47 | C42 | C34 | O33 | 102.8° | 114.4° |
| C47 | C42 | C34 | O35 | 13.0° | 126.3° |
| C47 | C42 | C34 | C36 | 132.5° | 6.0° |
| C42 | C47 | C46 | H37 | 171.6° | 179.7° |
| C42 | C34 | O33 | C32 | 106.2° | 144.2° |
| C42 | C34 | O33 | O35 | 118.1° | 119.8° |
| C42 | C34 | O33 | C36 | 121.2° | 120.2° |
| C42 | C34 | O35 | C36 | 120.7° | 120.2° |
| C42 | C34 | O35 | C31 | 118.9° | 120.6° |
| C42 | C34 | C36 | N37 | 49.0° | 62.6° |
| C42 | C34 | C36 | H32 | 71.2° | 57.5° |
| C42 | C34 | C36 | H33 | 169.1° | 177.4° |
| C34 | C42 | C47 | H38 | 2.6° | 0.3° |
| O33 | C32 | C31 | H30 | 119.4° | 118.1° |
| O33 | C32 | C31 | H31 | 119.3° | 118.2° |
| C32 | O33 | C34 | O35 | 11.9° | 24.4° |
| C32 | O33 | C34 | C36 | 132.6° | 95.6° |
| O33 | C32 | C31 | O35 | 25.8° | 35.5° |
| O33 | C32 | C31 | C30 | 91.7° | 154.0° |
| O33 | C32 | C31 | H29 | 147.3° | 82.9° |
| O33 | C32 | H30 | H31 | 121.9° | 123.9° |
| C34 | O33 | C32 | C31 | 23.0° | 36.1° |
| O33 | C34 | O35 | C36 | 125.4° | 119.9° |
| O33 | C34 | O35 | C31 | 4.9° | 0.7° |
| O33 | C34 | C36 | N37 | 167.2° | 177.1° |
| C34 | O33 | C32 | H30 | 142.3° | 154.3° |
| C34 | O33 | C32 | H31 | 96.3° | 82.0° |
| O33 | C34 | C36 | H32 | 47.0° | 62.8° |
| O33 | C34 | C36 | H33 | 72.7° | 57.1° |
| C32 | C31 | O35 | C34 | 18.6° | 21.4° |
| C32 | C31 | O35 | C30 | 114.9° | 118.4° |
| C32 | C31 | O35 | H29 | 120.6° | 118.5° |
| C32 | C31 | C30 | H29 | 121.0° | 123.3° |
| C32 | C31 | C30 | O29 | 34.7° | 179.9° |
| C32 | C31 | C30 | H27 | 86.1° | 59.9° |
| C32 | C31 | C30 | H28 | 155.4° | 60.2° |
| C31 | C32 | H30 | H31 | 121.9° | 123.8° |
| C34 | O35 | C31 | C30 | 96.3° | 139.8° |
| O35 | C34 | C36 | N37 | 72.3° | 57.7° |
| C34 | O35 | C31 | H29 | 139.2° | 97.2° |
| O35 | C34 | C36 | H32 | 167.5° | 177.8° |
| O35 | C34 | C36 | H33 | 47.8° | 62.3° |
| C36 | C34 | O35 | C31 | 120.4° | 119.2° |
| C34 | C36 | N37 | H32 | 120.1° | 120.0° |
| C34 | C36 | N37 | H33 | 120.1° | 120.0° |
| C34 | C36 | N37 | N41 | 128.7° | 54.2° |
| C34 | C36 | N37 | C38 | 63.3° | 126.0° |
| C34 | C36 | H32 | H33 | 119.7° | 119.9° |
| O35 | C31 | C30 | H29 | 125.3° | 123.0° |
| O35 | C31 | C30 | O29 | 79.0° | 66.4° |
| O35 | C31 | C30 | H27 | 160.3° | 173.6° |
| O35 | C31 | C30 | H28 | 41.8° | 53.5° |
| O35 | C31 | C32 | H30 | 145.1° | 153.7° |
| O35 | C31 | C32 | H31 | 93.6° | 82.6° |
| C31 | C30 | O29 | H27 | 120.8° | 120.0° |
| C31 | C30 | O29 | H28 | 120.7° | 120.0° |
| C31 | C30 | O29 | C26 | 160.6° | 180.0° |
| C31 | C30 | H27 | H28 | 117.6° | 120.0° |
| C30 | C31 | C32 | H30 | 27.7° | 87.9° |
| C30 | C31 | C32 | H31 | 149.0° | 35.8° |
| C36 | N37 | N41 | C38 | 169.7° | 179.8° |
| C36 | N37 | N41 | C40 | 179.5° | 179.8° |
| C36 | N37 | C38 | N39 | 175.7° | 180.0° |
| N37 | C36 | H32 | H33 | 119.7° | 120.0° |
| C36 | N37 | C38 | H34 | 4.3° | 0.0° |
| C30 | O29 | C26 | C25 | 179.5° | 180.0° |
| C30 | O29 | C26 | C27 | 3.1° | 0.0° |
| O29 | C30 | H27 | H28 | 117.7° | 120.0° |
| O29 | C30 | C31 | H29 | 155.7° | 56.6° |
| O29 | C26 | C25 | C27 | 177.4° | 180.0° |
| O29 | C26 | C25 | C24 | 168.0° | 180.0° |
| O29 | C26 | C27 | C28 | 175.9° | 180.0° |
| O29 | C26 | C25 | H24 | 12.1° | 0.0° |
| O29 | C26 | C27 | H25 | 4.0° | 0.0° |
| C26 | O29 | C30 | H27 | 39.8° | 60.0° |
| C26 | O29 | C30 | H28 | 78.7° | 60.0° |
| N37 | N41 | C40 | N39 | 9.6° | 0.3° |
| N41 | N37 | C38 | N39 | 6.0° | 0.2° |
| N41 | N37 | C36 | H32 | 8.6° | 174.3° |
| N41 | N37 | C36 | H33 | 111.1° | 65.8° |
| N41 | N37 | C38 | H34 | 174.1° | 179.8° |
| N37 | N41 | C40 | H35 | 170.4° | 179.9° |
| C38 | N37 | N41 | C40 | 9.8° | 0.3° |
| N37 | C38 | N39 | C40 | 0.1° | 0.0° |
| N37 | C38 | N39 | H34 | 180.0° | 180.0° |
| C38 | N37 | C36 | H32 | 176.6° | 6.0° |
| C38 | N37 | C36 | H33 | 56.9° | 114.0° |
| N41 | C40 | N39 | H35 | 180.0° | 179.7° |
| N41 | C40 | N39 | C38 | 5.8° | 0.2° |
| C26 | C25 | C24 | H24 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 17.7° | 0.0° |
| C25 | C26 | C27 | C28 | 1.4° | 0.0° |
| C26 | C25 | C24 | H23 | 162.2° | 179.9° |
| C25 | C26 | C27 | H25 | 178.7° | 179.9° |
| C24 | C25 | C26 | C27 | 9.4° | 0.0° |
| C25 | C24 | C23 | H23 | 180.0° | 179.9° |
| C25 | C24 | C23 | C28 | 17.7° | 0.0° |
| C25 | C24 | C23 | N20 | 178.7° | 179.8° |
| C26 | C27 | C28 | H25 | 180.0° | 180.0° |
| C26 | C27 | C28 | C23 | 1.7° | 0.0° |
| C27 | C26 | C25 | H24 | 170.5° | 179.9° |
| C26 | C27 | C28 | H26 | 178.3° | 179.7° |
| C40 | N39 | C38 | H34 | 179.9° | 180.0° |
| C01 | C02 | C03 | H5 | 121.2° | 120.0° |
| C01 | C02 | C03 | H6 | 121.1° | 120.0° |
| C01 | C02 | C03 | N05 | 76.7° | 65.0° |
| C01 | C02 | C03 | C04 | 159.0° | 175.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H4 | 120.0° | 120.0° |
| C02 | C01 | H3 | H4 | 120.0° | 120.0° |
| C01 | C02 | H5 | H6 | 116.4° | 120.0° |
| C01 | C02 | C03 | H7 | 41.0° | 55.0° |
| C38 | N39 | C40 | H35 | 174.2° | 179.9° |
| C24 | C23 | C28 | C27 | 9.6° | 0.0° |
| C24 | C23 | C28 | N20 | 160.4° | 179.7° |
| C24 | C23 | N20 | C19 | 154.3° | 0.3° |
| C24 | C23 | N20 | C21 | 26.3° | 124.1° |
| C23 | C24 | C25 | H24 | 162.2° | 180.0° |
| C24 | C23 | C28 | H26 | 170.4° | 179.7° |
| C27 | C28 | C23 | H26 | 180.0° | 179.7° |
| C27 | C28 | C23 | N20 | 170.0° | 179.8° |
| C28 | C23 | N20 | C19 | 45.3° | 180.0° |
| C28 | C23 | N20 | C21 | 134.2° | 56.2° |
| C28 | C23 | C24 | H23 | 162.2° | 179.9° |
| C23 | C28 | C27 | H25 | 178.4° | 180.0° |
| C23 | N20 | C19 | C21 | 179.5° | 123.9° |
| C23 | N20 | C19 | C18 | 136.3° | 176.8° |
| C23 | N20 | C21 | C22 | 135.0° | 176.8° |
| C23 | N20 | C19 | H17 | 15.7° | 63.2° |
| C23 | N20 | C19 | H18 | 103.1° | 56.8° |
| C23 | N20 | C21 | H19 | 104.5° | 63.2° |
| C23 | N20 | C21 | H20 | 14.5° | 56.8° |
| N20 | C23 | C24 | H23 | 1.3° | 0.3° |
| N20 | C23 | C28 | H26 | 10.0° | 0.0° |
| C02 | C03 | N05 | N10 | 64.6° | 60.4° |
| C02 | C03 | N05 | C04 | 123.5° | 120.0° |
| C02 | C03 | N05 | H7 | 117.3° | 120.0° |
| C02 | C03 | C04 | H7 | 117.8° | 120.0° |
| C02 | C03 | N05 | C06 | 121.1° | 120.0° |
| C03 | C02 | C01 | H2 | 180.0° | 60.0° |
| C03 | C02 | C01 | H3 | 60.0° | 60.0° |
| C03 | C02 | C01 | H4 | 60.0° | 180.0° |
| C03 | C02 | H5 | H6 | 116.3° | 120.0° |
| C02 | C03 | C04 | H8 | 180.0° | 180.0° |
| C02 | C03 | C04 | H9 | 60.0° | 60.0° |
| C02 | C03 | C04 | H10 | 60.0° | 60.0° |
| N20 | C19 | C18 | H17 | 120.6° | 120.0° |
| N20 | C19 | C18 | H18 | 120.6° | 120.0° |
| N20 | C19 | C18 | N17 | 48.7° | 58.4° |
| C19 | N20 | C21 | C22 | 45.6° | 59.3° |
| N20 | C19 | C18 | H15 | 71.4° | 178.4° |
| N20 | C19 | C18 | H16 | 168.9° | 61.6° |
| N20 | C19 | H17 | H18 | 118.0° | 120.1° |
| C19 | N20 | C21 | H19 | 74.9° | 60.7° |
| C19 | N20 | C21 | H20 | 166.1° | 179.3° |
| C21 | N20 | C19 | C18 | 44.2° | 59.3° |
| N20 | C21 | C22 | H19 | 120.5° | 119.9° |
| N20 | C21 | C22 | H20 | 120.5° | 120.0° |
| N20 | C21 | C22 | N17 | 52.5° | 58.4° |
| C21 | N20 | C19 | H17 | 164.8° | 60.7° |
| C21 | N20 | C19 | H18 | 76.4° | 179.3° |
| N20 | C21 | H19 | H20 | 118.5° | 120.0° |
| N20 | C21 | C22 | H21 | 172.7° | 61.6° |
| N20 | C21 | C22 | H22 | 67.8° | 178.3° |
| C19 | C18 | N17 | H15 | 120.1° | 119.9° |
| C19 | C18 | N17 | H16 | 120.1° | 120.0° |
| C19 | C18 | N17 | C22 | 56.9° | 59.4° |
| C19 | C18 | N17 | C14 | 170.3° | 176.8° |
| C19 | C18 | H15 | H16 | 119.6° | 120.0° |
| C18 | C19 | H17 | H18 | 118.0° | 120.0° |
| C18 | N17 | C14 | C13 | 129.7° | 180.0° |
| C18 | N17 | C22 | C21 | 59.2° | 59.4° |
| C18 | N17 | C22 | C14 | 121.9° | 123.8° |
| C18 | N17 | C14 | C15 | 67.9° | 0.0° |
| N17 | C18 | H15 | H16 | 119.6° | 120.1° |
| N17 | C18 | C19 | H17 | 169.4° | 61.6° |
| N17 | C18 | C19 | H18 | 71.9° | 178.4° |
| C18 | N17 | C22 | H21 | 179.4° | 60.6° |
| C18 | N17 | C22 | H22 | 61.0° | 179.3° |
| C13 | C12 | C11 | H1 | 180.0° | 179.7° |
| C12 | C13 | C14 | H12 | 180.0° | 180.0° |
| C13 | C12 | C11 | N08 | 169.9° | 180.0° |
| C13 | C12 | C11 | C16 | 3.0° | 0.0° |
| C12 | C13 | C14 | N17 | 177.4° | 180.0° |
| C12 | C13 | C14 | C15 | 19.8° | 0.0° |
| C11 | C12 | C13 | C14 | 3.9° | 0.0° |
| C12 | C11 | N08 | C09 | 149.2° | 0.0° |
| C12 | C11 | N08 | C16 | 166.8° | 180.0° |
| C12 | C11 | N08 | C06 | 14.5° | 179.9° |
| C12 | C11 | C16 | C15 | 6.1° | 0.1° |
| C11 | C12 | C13 | H12 | 176.1° | 180.0° |
| C12 | C11 | C16 | H14 | 174.0° | 180.0° |
| C13 | C14 | N17 | C22 | 3.3° | 56.2° |
| C13 | C14 | N17 | C15 | 162.4° | 180.0° |
| C13 | C14 | C15 | C16 | 28.9° | 0.0° |
| C14 | C13 | C12 | H1 | 176.1° | 179.7° |
| C13 | C14 | C15 | H13 | 151.1° | 180.0° |
| C21 | C22 | N17 | H21 | 120.2° | 120.0° |
| C21 | C22 | N17 | H22 | 120.2° | 119.9° |
| C21 | C22 | N17 | C14 | 178.9° | 176.8° |
| C22 | C21 | H19 | H20 | 118.5° | 120.1° |
| C21 | C22 | H21 | H22 | 119.3° | 120.0° |
| C22 | N17 | C14 | C15 | 165.7° | 123.7° |
| C22 | N17 | C18 | H15 | 63.2° | 179.3° |
| C22 | N17 | C18 | H16 | 177.1° | 60.6° |
| N17 | C22 | C21 | H19 | 68.0° | 61.5° |
| N17 | C22 | C21 | H20 | 173.0° | 178.4° |
| N17 | C22 | H21 | H22 | 119.3° | 120.0° |
| N10 | C09 | N08 | H11 | 180.0° | 179.8° |
| C09 | N10 | N05 | C03 | 179.1° | 179.9° |
| C09 | N10 | N05 | C06 | 4.0° | 0.4° |
| N10 | C09 | N08 | C11 | 168.4° | 179.8° |
| N10 | C09 | N08 | C06 | 1.8° | 0.2° |
| N05 | N10 | C09 | N08 | 3.6° | 0.4° |
| N10 | N05 | C03 | C06 | 174.3° | 179.6° |
| N10 | N05 | C03 | C04 | 58.9° | 59.6° |
| N10 | N05 | C06 | O07 | 167.5° | 179.8° |
| N10 | N05 | C06 | N08 | 2.9° | 0.3° |
| N10 | N05 | C03 | H7 | 178.1° | 179.7° |
| N05 | N10 | C09 | H11 | 176.4° | 179.8° |
| C09 | N08 | C06 | N05 | 0.6° | 0.1° |
| C09 | N08 | C11 | C06 | 163.7° | 180.0° |
| C09 | N08 | C11 | C16 | 44.1° | 180.0° |
| C09 | N08 | C06 | O07 | 164.8° | 180.0° |
| N05 | C03 | C04 | H7 | 119.3° | 120.0° |
| C03 | N05 | C06 | O07 | 17.4° | 0.1° |
| C03 | N05 | C06 | N08 | 177.9° | 180.0° |
| N05 | C03 | C02 | H5 | 162.1° | 175.0° |
| N05 | C03 | C02 | H6 | 44.4° | 55.0° |
| N05 | C03 | C04 | H8 | 57.0° | 60.0° |
| N05 | C03 | C04 | H9 | 177.0° | 180.0° |
| N05 | C03 | C04 | H10 | 63.0° | 60.0° |
| C04 | C03 | N05 | C06 | 115.4° | 120.0° |
| C04 | C03 | C02 | H5 | 37.9° | 55.0° |
| C04 | C03 | C02 | H6 | 79.8° | 65.0° |
| C03 | C04 | H8 | H9 | 120.0° | 120.0° |
| C03 | C04 | H8 | H10 | 120.0° | 120.0° |
| C03 | C04 | H9 | H10 | 120.0° | 120.1° |
| N05 | C06 | N08 | C11 | 165.7° | 180.0° |
| N05 | C06 | O07 | N08 | 161.8° | 179.9° |
| C06 | N05 | C03 | H7 | 3.8° | 0.1° |
| C11 | N08 | C06 | O07 | 1.5° | 0.0° |
| N08 | C11 | C16 | C15 | 160.9° | 180.0° |
| N08 | C11 | C12 | H1 | 10.1° | 0.3° |
| C11 | N08 | C09 | H11 | 11.6° | 0.0° |
| N08 | C11 | C16 | H14 | 19.1° | 0.0° |
| C11 | C16 | C15 | C14 | 22.3° | 0.1° |
| C16 | C11 | N08 | C06 | 152.2° | 0.0° |
| C11 | C16 | C15 | H14 | 180.0° | 180.0° |
| C16 | C11 | C12 | H1 | 177.0° | 179.7° |
| C11 | C16 | C15 | H13 | 157.7° | 180.0° |
| N17 | C14 | C15 | C16 | 168.1° | 179.9° |
| N17 | C14 | C13 | H12 | 2.6° | 0.1° |
| N17 | C14 | C15 | H13 | 11.9° | 0.0° |
| C14 | N17 | C18 | H15 | 69.6° | 56.9° |
| C14 | N17 | C18 | H16 | 50.2° | 63.3° |
| C14 | N17 | C22 | H21 | 58.7° | 63.2° |
| C14 | N17 | C22 | H22 | 60.9° | 56.9° |
| C14 | C15 | C16 | H13 | 180.0° | 179.9° |
| C15 | C14 | C13 | H12 | 160.2° | 180.0° |
| C14 | C15 | C16 | H14 | 157.8° | 180.0° |
| C06 | N08 | C09 | H11 | 178.2° | 180.0° |
| H1 | C12 | C13 | H12 | 3.9° | 0.3° |
| H2 | C01 | H3 | H4 | 120.0° | 120.0° |
| H2 | C01 | C02 | H5 | 58.9° | 60.0° |
| H2 | C01 | C02 | H6 | 58.8° | 179.9° |
| H3 | C01 | C02 | H5 | 61.2° | NaN° |
| H3 | C01 | C02 | H6 | 178.9° | 60.0° |
| H4 | C01 | C02 | H5 | 178.9° | 60.0° |
| H4 | C01 | C02 | H6 | 61.1° | 60.0° |
| H5 | C02 | C03 | H7 | 80.2° | 65.0° |
| H6 | C02 | C03 | H7 | 162.1° | 175.0° |
| H7 | C03 | C04 | H8 | 62.3° | 60.0° |
| H7 | C03 | C04 | H9 | 57.8° | 60.0° |
| H7 | C03 | C04 | H10 | 177.7° | 180.0° |
| H8 | C04 | H9 | H10 | 119.9° | 119.9° |
| H13 | C15 | C16 | H14 | 22.3° | 0.1° |
| H15 | C18 | C19 | H17 | 49.2° | 58.4° |
| H15 | C18 | C19 | H18 | 168.0° | 61.6° |
| H16 | C18 | C19 | H17 | 70.5° | 178.4° |
| H16 | C18 | C19 | H18 | 48.3° | 58.4° |
| H19 | C21 | C22 | H21 | 52.2° | 178.5° |
| H19 | C21 | C22 | H22 | 171.7° | 58.4° |
| H20 | C21 | C22 | H21 | 66.8° | 58.4° |
| H20 | C21 | C22 | H22 | 52.7° | 61.7° |
| H23 | C24 | C25 | H24 | 17.8° | 0.0° |
| H25 | C27 | C28 | H26 | 1.7° | 0.3° |
| H27 | C30 | C31 | H29 | 34.9° | 63.4° |
| H28 | C30 | C31 | H29 | 83.6° | 176.6° |
| H29 | C31 | C32 | H30 | 93.3° | 35.2° |
| H29 | C31 | C32 | H31 | 27.9° | 159.0° |
| H37 | C46 | C47 | H38 | 8.4° | 0.2° |
