37Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C37 | sing | 1.51Å | 1.60Å | |
| C31 | O32 | doub | 1.21Å | 1.44Å | |
| C31 | C29 | sing | 1.51Å | 1.55Å | |
| C37 | C38 | sing | 1.53Å | 1.55Å | |
| C37 | C39 | sing | 1.53Å | 1.55Å | |
| O40 | C39 | sing | 1.43Å | 1.43Å | |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| C30 | C41 | sing | 1.53Å | 1.55Å | |
| C42 | C41 | sing | 1.53Å | 1.49Å | |
| C42 | C43 | sing | 1.53Å | 1.52Å | |
| C29 | N28 | sing | 1.47Å | 1.47Å | |
| C41 | C46 | sing | 1.53Å | 1.53Å | |
| C43 | C44 | sing | 1.53Å | 1.51Å | |
| C46 | C45 | sing | 1.53Å | 1.55Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| N28 | C26 | sing | 1.35Å | 1.34Å | |
| C26 | O27 | doub | 1.21Å | 1.23Å | |
| C26 | C16 | sing | 1.51Å | 1.54Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.51Å | 1.42Å | |
| C16 | N15 | sing | 1.46Å | 1.47Å | |
| C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| N15 | C13 | sing | 1.35Å | 1.34Å | |
| C7 | C6 | sing | 1.53Å | 1.49Å | |
| C7 | O8 | sing | 1.43Å | 1.47Å | |
| C6 | N5 | sing | 1.47Å | 1.47Å | |
| C20 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| O8 | C9 | sing | 1.43Å | 1.46Å | |
| O14 | C13 | doub | 1.21Å | 1.23Å | |
| C13 | C11 | sing | 1.51Å | 1.53Å | |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| O3 | C2 | doub | 1.21Å | 1.23Å | |
| N5 | C10 | sing | 1.47Å | 1.48Å | |
| N5 | C4 | sing | 1.47Å | 1.45Å | |
| C2 | C4 | sing | 1.51Å | 1.53Å | |
| C2 | N1 | sing | 1.35Å | 1.34Å | |
| C21 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | O22 | sing | 1.36Å | 1.37Å | |
| C9 | C10 | sing | 1.53Å | 1.49Å | |
| C11 | N1 | sing | 1.47Å | 1.46Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| O22 | C23 | sing | 1.43Å | 1.44Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| N15 | H17 | sing | 0.97Å | 1.00Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.08Å | 1.08Å | |
| C25 | H27 | sing | 1.08Å | 1.08Å | |
| N28 | H28 | sing | 0.97Å | 1.00Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C41 | H32 | sing | 1.09Å | 1.10Å | |
| C42 | H33 | sing | 1.09Å | 1.10Å | |
| C42 | H34 | sing | 1.09Å | 1.10Å | |
| C43 | H35 | sing | 1.09Å | 1.10Å | |
| C43 | H36 | sing | 1.09Å | 1.10Å | |
| C44 | H37 | sing | 1.09Å | 1.10Å | |
| C44 | H38 | sing | 1.09Å | 1.10Å | |
| C45 | H39 | sing | 1.09Å | 1.10Å | |
| C45 | H40 | sing | 1.09Å | 1.10Å | |
| C46 | H41 | sing | 1.09Å | 1.10Å | |
| C46 | H42 | sing | 1.09Å | 1.10Å | |
| C37 | H45 | sing | 1.09Å | 1.10Å | |
| C38 | H46 | sing | 1.09Å | 1.10Å | |
| C38 | H47 | sing | 1.09Å | 1.10Å | |
| C38 | H48 | sing | 1.09Å | 1.10Å | |
| C39 | H49 | sing | 1.09Å | 1.10Å | |
| C39 | H50 | sing | 1.09Å | 1.10Å | |
| O40 | H51 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C37 | C31 | O32 | 109.7° | 120.0° |
| C37 | C31 | C29 | 117.2° | 120.0° |
| C31 | C37 | C38 | 110.2° | 109.5° |
| C31 | C37 | C39 | 106.1° | 109.5° |
| C31 | C37 | H45 | 111.6° | 109.4° |
| O32 | C31 | C29 | 108.4° | 120.0° |
| C31 | C29 | C30 | 105.5° | 109.5° |
| C31 | C29 | N28 | 111.2° | 109.5° |
| C31 | C29 | H29 | 109.2° | 109.5° |
| C38 | C37 | C39 | 103.9° | 109.5° |
| C38 | C37 | H45 | 112.3° | 109.5° |
| C37 | C38 | H46 | 109.5° | 109.5° |
| C37 | C38 | H47 | 109.5° | 109.5° |
| C37 | C38 | H48 | 109.5° | 109.5° |
| C37 | C39 | O40 | 106.3° | 109.4° |
| C39 | C37 | H45 | 112.3° | 109.5° |
| C37 | C39 | H49 | 110.3° | 109.5° |
| C37 | C39 | H50 | 110.3° | 109.5° |
| O40 | C39 | H49 | 110.3° | 109.5° |
| O40 | C39 | H50 | 110.2° | 109.5° |
| C39 | O40 | H51 | 109.5° | 113.9° |
| C29 | C30 | C41 | 114.3° | 109.4° |
| C30 | C29 | N28 | 110.7° | 109.5° |
| C30 | C29 | H29 | 109.7° | 109.5° |
| C29 | C30 | H30 | 108.3° | 109.5° |
| C29 | C30 | H31 | 108.2° | 109.4° |
| C30 | C41 | C42 | 104.4° | 109.4° |
| C30 | C41 | C46 | 114.2° | 109.5° |
| C41 | C30 | H30 | 108.2° | 109.5° |
| C41 | C30 | H31 | 108.2° | 109.5° |
| C30 | C41 | H32 | 109.9° | 109.5° |
| C41 | C42 | C43 | 108.0° | 109.5° |
| C42 | C41 | C46 | 107.4° | 109.5° |
| C42 | C41 | H32 | 110.7° | 109.5° |
| C41 | C42 | H33 | 109.9° | 109.5° |
| C41 | C42 | H34 | 109.8° | 109.5° |
| C42 | C43 | C44 | 110.3° | 109.4° |
| C43 | C42 | H33 | 109.8° | 109.4° |
| C43 | C42 | H34 | 109.8° | 109.5° |
| C42 | C43 | H35 | 109.3° | 109.5° |
| C42 | C43 | H36 | 109.3° | 109.5° |
| C29 | N28 | C26 | 122.3° | 120.0° |
| C29 | N28 | H28 | 118.9° | 120.0° |
| N28 | C29 | H29 | 110.4° | 109.4° |
| C41 | C46 | C45 | 110.5° | 109.5° |
| C46 | C41 | H32 | 110.1° | 109.5° |
| C41 | C46 | H41 | 109.2° | 109.5° |
| C41 | C46 | H42 | 109.2° | 109.5° |
| C43 | C44 | C45 | 110.6° | 109.5° |
| C44 | C43 | H35 | 109.3° | 109.4° |
| C44 | C43 | H36 | 109.3° | 109.5° |
| C43 | C44 | H37 | 109.2° | 109.5° |
| C43 | C44 | H38 | 109.2° | 109.5° |
| C46 | C45 | C44 | 112.3° | 109.5° |
| C46 | C45 | H39 | 108.8° | 109.5° |
| C46 | C45 | H40 | 108.8° | 109.5° |
| C45 | C46 | H41 | 109.2° | 109.4° |
| C45 | C46 | H42 | 109.2° | 109.5° |
| C45 | C44 | H37 | 109.2° | 109.5° |
| C45 | C44 | H38 | 109.2° | 109.4° |
| C44 | C45 | H39 | 108.8° | 109.4° |
| C44 | C45 | H40 | 108.7° | 109.5° |
| N28 | C26 | O27 | 124.5° | 120.0° |
| N28 | C26 | C16 | 114.9° | 120.0° |
| C26 | N28 | H28 | 118.8° | 120.0° |
| O27 | C26 | C16 | 120.6° | 120.0° |
| C26 | C16 | C17 | 110.2° | 109.5° |
| C26 | C16 | N15 | 108.7° | 109.5° |
| C26 | C16 | H18 | 109.0° | 109.5° |
| C16 | C17 | C18 | 107.8° | 109.5° |
| C17 | C16 | N15 | 109.7° | 109.5° |
| C17 | C16 | H18 | 109.2° | 109.4° |
| C16 | C17 | H19 | 109.9° | 109.4° |
| C16 | C17 | H20 | 109.9° | 109.5° |
| C17 | C18 | C19 | 121.1° | 120.0° |
| C17 | C18 | C25 | 120.5° | 120.0° |
| C18 | C17 | H19 | 109.9° | 109.5° |
| C18 | C17 | H20 | 109.9° | 109.5° |
| C16 | N15 | C13 | 121.5° | 120.0° |
| C16 | N15 | H17 | 119.2° | 120.0° |
| N15 | C16 | H18 | 109.9° | 109.5° |
| C18 | C19 | C20 | 120.7° | 120.1° |
| C19 | C18 | C25 | 118.4° | 120.1° |
| C18 | C19 | H21 | 119.6° | 120.0° |
| C19 | C20 | C21 | 120.6° | 119.9° |
| C20 | C19 | H21 | 119.7° | 120.0° |
| C19 | C20 | H22 | 119.7° | 120.0° |
| C18 | C25 | C24 | 121.0° | 120.1° |
| C18 | C25 | H27 | 119.5° | 120.0° |
| N15 | C13 | O14 | 124.3° | 120.0° |
| N15 | C13 | C11 | 115.6° | 120.0° |
| C13 | N15 | H17 | 119.3° | 120.0° |
| C6 | C7 | O8 | 106.2° | 109.3° |
| C7 | C6 | N5 | 107.6° | 109.3° |
| C7 | C6 | H4 | 110.0° | 109.6° |
| C7 | C6 | H5 | 110.0° | 109.5° |
| C6 | C7 | H8 | 110.3° | 109.5° |
| C6 | C7 | H9 | 110.3° | 109.5° |
| C7 | O8 | C9 | 114.9° | 113.7° |
| O8 | C7 | H8 | 110.3° | 109.5° |
| O8 | C7 | H9 | 110.3° | 109.5° |
| C6 | N5 | C10 | 112.0° | 110.8° |
| C6 | N5 | C4 | 114.8° | 111.0° |
| N5 | C6 | H4 | 109.9° | 109.5° |
| N5 | C6 | H5 | 109.9° | 109.5° |
| C20 | C21 | C24 | 118.8° | 119.9° |
| C20 | C21 | O22 | 118.7° | 120.0° |
| C21 | C20 | H22 | 119.7° | 120.0° |
| O8 | C9 | C10 | 108.7° | 109.3° |
| O8 | C9 | H10 | 109.7° | 109.5° |
| O8 | C9 | H11 | 109.7° | 109.5° |
| O14 | C13 | C11 | 120.0° | 120.0° |
| C13 | C11 | N1 | 109.4° | 109.5° |
| C13 | C11 | C12 | 108.4° | 109.5° |
| C13 | C11 | H13 | 110.1° | 109.5° |
| C25 | C24 | C21 | 120.4° | 119.9° |
| C25 | C24 | H26 | 119.8° | 120.0° |
| C24 | C25 | H27 | 119.5° | 120.0° |
| O3 | C2 | C4 | 123.9° | 120.0° |
| O3 | C2 | N1 | 125.3° | 120.0° |
| C10 | N5 | C4 | 117.6° | 111.0° |
| N5 | C10 | C9 | 102.7° | 109.3° |
| N5 | C10 | H6 | 111.1° | 109.5° |
| N5 | C10 | H7 | 111.1° | 109.6° |
| N5 | C4 | C2 | 115.1° | 109.5° |
| N5 | C4 | H1 | 108.0° | 109.5° |
| N5 | C4 | H2 | 108.0° | 109.5° |
| C4 | C2 | N1 | 110.8° | 120.0° |
| C2 | C4 | H1 | 108.0° | 109.5° |
| C2 | C4 | H2 | 108.1° | 109.5° |
| C2 | N1 | C11 | 124.1° | 120.0° |
| C2 | N1 | H12 | 117.9° | 120.0° |
| C24 | C21 | O22 | 122.6° | 120.1° |
| C21 | C24 | H26 | 119.8° | 120.1° |
| C21 | O22 | C23 | 119.4° | 116.9° |
| C9 | C10 | H6 | 111.1° | 109.5° |
| C9 | C10 | H7 | 111.1° | 109.6° |
| C10 | C9 | H10 | 109.6° | 109.5° |
| C10 | C9 | H11 | 109.6° | 109.5° |
| N1 | C11 | C12 | 107.9° | 109.5° |
| C11 | N1 | H12 | 118.0° | 120.0° |
| N1 | C11 | H13 | 111.0° | 109.4° |
| C12 | C11 | H13 | 110.0° | 109.4° |
| C11 | C12 | H14 | 109.5° | 109.4° |
| C11 | C12 | H15 | 109.5° | 109.5° |
| C11 | C12 | H16 | 109.4° | 109.4° |
| O22 | C23 | H23 | 109.5° | 109.4° |
| O22 | C23 | H24 | 109.5° | 109.5° |
| O22 | C23 | H25 | 109.5° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.4° | 109.5° |
| H6 | C10 | H7 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H10 | C9 | H11 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.5° |
| H14 | C12 | H16 | 109.5° | 109.4° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H19 | C17 | H20 | 109.5° | 109.5° |
| H23 | C23 | H24 | 109.4° | 109.5° |
| H23 | C23 | H25 | 109.4° | 109.4° |
| H24 | C23 | H25 | 109.5° | 109.5° |
| H30 | C30 | H31 | 109.5° | 109.5° |
| H33 | C42 | H34 | 109.5° | 109.5° |
| H35 | C43 | H36 | 109.4° | 109.5° |
| H37 | C44 | H38 | 109.5° | 109.4° |
| H39 | C45 | H40 | 109.5° | 109.4° |
| H41 | C46 | H42 | 109.5° | 109.5° |
| H46 | C38 | H47 | 109.5° | 109.5° |
| H46 | C38 | H48 | 109.4° | 109.4° |
| H47 | C38 | H48 | 109.5° | 109.5° |
| H49 | C39 | H50 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | C31 | O32 | C29 | 129.1° | 180.0° |
| C31 | C37 | C38 | C39 | 113.3° | 120.0° |
| C31 | C37 | C38 | H45 | 125.0° | 120.0° |
| C31 | C37 | C39 | H45 | 122.1° | 119.9° |
| C31 | C37 | C39 | O40 | 113.6° | 175.0° |
| C37 | C31 | C29 | C30 | 162.8° | 75.0° |
| C37 | C31 | C29 | N28 | 77.1° | 165.0° |
| C37 | C31 | C29 | H29 | 45.0° | 45.0° |
| C31 | C37 | C38 | H46 | 180.0° | 59.9° |
| C31 | C37 | C38 | H47 | 60.0° | 180.0° |
| C31 | C37 | C38 | H48 | 60.0° | 60.0° |
| C31 | C37 | C39 | H49 | 5.9° | 55.0° |
| C31 | C37 | C39 | H50 | 126.9° | 65.0° |
| O32 | C31 | C37 | C38 | 159.0° | 95.0° |
| O32 | C31 | C37 | C39 | 47.0° | 25.0° |
| O32 | C31 | C29 | C30 | 72.4° | 105.0° |
| O32 | C31 | C29 | N28 | 47.7° | 15.0° |
| O32 | C31 | C29 | H29 | 169.8° | 135.0° |
| O32 | C31 | C37 | H45 | 75.6° | 145.0° |
| C29 | C31 | C37 | C38 | 34.8° | 85.0° |
| C29 | C31 | C37 | C39 | 77.1° | 155.0° |
| C31 | C29 | C30 | N28 | 120.4° | 120.0° |
| C31 | C29 | C30 | H29 | 117.5° | 120.0° |
| C31 | C29 | C30 | C41 | 176.5° | 175.7° |
| C31 | C29 | N28 | H29 | 121.4° | 120.0° |
| C31 | C29 | N28 | C26 | 120.3° | 85.0° |
| C31 | C29 | N28 | H28 | 59.7° | 95.0° |
| C31 | C29 | C30 | H30 | 62.8° | 64.3° |
| C31 | C29 | C30 | H31 | 55.8° | 55.7° |
| C29 | C31 | C37 | H45 | 160.3° | 35.0° |
| C38 | C37 | C39 | H45 | 121.6° | 120.1° |
| C38 | C37 | C39 | O40 | 130.1° | 65.0° |
| C37 | C38 | H46 | H47 | 120.0° | 120.0° |
| C37 | C38 | H46 | H48 | 120.0° | 120.0° |
| C37 | C38 | H47 | H48 | 120.0° | 120.0° |
| C38 | C37 | C39 | H49 | 110.4° | 175.0° |
| C38 | C37 | C39 | H50 | 10.6° | 55.0° |
| C37 | C39 | O40 | H49 | 119.5° | 120.0° |
| C37 | C39 | O40 | H50 | 119.5° | 120.0° |
| C39 | C37 | C38 | H46 | 66.7° | 179.9° |
| C39 | C37 | C38 | H47 | 53.3° | 60.0° |
| C39 | C37 | C38 | H48 | 173.3° | 60.0° |
| C37 | C39 | H49 | H50 | 121.5° | 120.0° |
| C37 | C39 | O40 | H51 | 180.0° | 180.0° |
| O40 | C39 | C37 | H45 | 8.5° | 55.0° |
| O40 | C39 | H49 | H50 | 121.4° | 120.0° |
| C29 | C30 | C41 | H30 | 120.7° | 120.0° |
| C29 | C30 | C41 | H31 | 120.7° | 119.9° |
| C29 | C30 | C41 | C42 | 170.3° | 174.4° |
| C30 | C29 | N28 | H29 | 121.7° | 120.0° |
| C29 | C30 | C41 | C46 | 53.3° | 65.6° |
| C30 | C29 | N28 | C26 | 122.8° | 155.0° |
| C30 | C29 | N28 | H28 | 57.2° | 25.0° |
| C29 | C30 | H30 | H31 | 117.8° | 120.0° |
| C29 | C30 | C41 | H32 | 70.9° | 54.4° |
| C30 | C41 | C42 | C46 | 121.6° | 120.0° |
| C30 | C41 | C42 | H32 | 118.2° | 120.0° |
| C30 | C41 | C42 | C43 | 171.2° | 180.0° |
| C41 | C30 | C29 | N28 | 63.1° | 64.3° |
| C30 | C41 | C46 | H32 | 124.1° | 120.0° |
| C30 | C41 | C46 | C45 | 175.6° | 180.0° |
| C41 | C30 | C29 | H29 | 59.0° | 55.6° |
| C41 | C30 | H30 | H31 | 117.8° | 120.1° |
| C30 | C41 | C42 | H33 | 51.4° | 60.0° |
| C30 | C41 | C42 | H34 | 69.1° | 60.0° |
| C30 | C41 | C46 | H41 | 55.4° | 60.0° |
| C30 | C41 | C46 | H42 | 64.3° | 60.0° |
| C41 | C42 | C43 | H33 | 119.8° | 120.0° |
| C41 | C42 | C43 | H34 | 119.7° | 120.1° |
| C42 | C41 | C46 | H32 | 120.6° | 120.0° |
| C41 | C42 | C43 | C44 | 66.3° | 60.0° |
| C42 | C41 | C46 | C45 | 60.3° | 60.0° |
| C42 | C41 | C30 | H30 | 69.0° | 54.4° |
| C42 | C41 | C30 | H31 | 49.6° | 65.7° |
| C41 | C42 | H33 | H34 | 120.7° | 120.1° |
| C41 | C42 | C43 | H35 | 53.8° | 59.9° |
| C41 | C42 | C43 | H36 | 173.6° | 180.0° |
| C42 | C41 | C46 | H41 | 59.8° | 59.9° |
| C42 | C41 | C46 | H42 | 179.5° | 179.9° |
| C43 | C42 | C41 | C46 | 67.3° | 60.0° |
| C42 | C43 | C44 | H35 | 120.1° | 119.9° |
| C42 | C43 | C44 | H36 | 120.1° | 120.0° |
| C42 | C43 | C44 | C45 | 55.9° | 59.9° |
| C43 | C42 | C41 | H32 | 52.9° | 60.0° |
| C43 | C42 | H33 | H34 | 120.7° | 120.0° |
| C42 | C43 | H35 | H36 | 119.6° | 120.0° |
| C42 | C43 | C44 | H37 | 176.0° | 180.0° |
| C42 | C43 | C44 | H38 | 64.3° | 60.0° |
| C29 | N28 | C26 | H28 | 180.0° | 180.0° |
| C29 | N28 | C26 | O27 | 0.4° | 0.0° |
| C29 | N28 | C26 | C16 | 179.4° | 180.0° |
| N28 | C29 | C30 | H30 | 57.6° | 55.6° |
| N28 | C29 | C30 | H31 | 176.2° | 175.7° |
| C41 | C46 | C45 | H41 | 120.1° | 120.0° |
| C41 | C46 | C45 | H42 | 120.1° | 120.0° |
| C41 | C46 | C45 | C44 | 51.5° | 60.0° |
| C46 | C41 | C30 | H30 | 174.0° | 174.3° |
| C46 | C41 | C30 | H31 | 67.4° | 54.3° |
| C46 | C41 | C42 | H33 | 173.0° | 180.0° |
| C46 | C41 | C42 | H34 | 52.5° | 60.0° |
| C41 | C46 | C45 | H39 | 172.0° | 60.0° |
| C41 | C46 | C45 | H40 | 68.9° | 180.0° |
| C41 | C46 | H41 | H42 | 119.5° | 120.0° |
| C43 | C44 | C45 | C46 | 49.0° | 59.9° |
| C43 | C44 | C45 | H37 | 120.2° | 120.1° |
| C43 | C44 | C45 | H38 | 120.2° | 120.0° |
| C44 | C43 | C42 | H33 | 174.0° | 180.0° |
| C44 | C43 | C42 | H34 | 53.5° | 60.1° |
| C44 | C43 | H35 | H36 | 119.6° | 120.0° |
| C43 | C44 | H37 | H38 | 119.5° | 120.0° |
| C43 | C44 | C45 | H39 | 169.4° | 60.1° |
| C43 | C44 | C45 | H40 | 71.5° | 180.0° |
| C46 | C45 | C44 | H39 | 120.5° | 120.0° |
| C46 | C45 | C44 | H40 | 120.4° | 120.1° |
| C45 | C46 | C41 | H32 | 60.3° | 60.0° |
| C46 | C45 | C44 | H37 | 169.1° | 180.0° |
| C46 | C45 | C44 | H38 | 71.2° | 60.0° |
| C46 | C45 | H39 | H40 | 118.7° | 120.0° |
| C45 | C46 | H41 | H42 | 119.6° | 120.0° |
| C45 | C44 | C43 | H35 | 64.3° | 60.0° |
| C45 | C44 | C43 | H36 | 176.0° | 180.0° |
| C45 | C44 | H37 | H38 | 119.5° | 120.0° |
| C44 | C45 | H39 | H40 | 118.7° | 119.9° |
| C44 | C45 | C46 | H41 | 68.6° | 60.0° |
| C44 | C45 | C46 | H42 | 171.7° | 180.0° |
| N28 | C26 | O27 | C16 | 178.9° | 179.9° |
| N28 | C26 | C16 | C17 | 75.8° | 60.0° |
| N28 | C26 | C16 | N15 | 163.9° | 180.0° |
| N28 | C26 | C16 | H18 | 44.1° | 60.0° |
| C26 | N28 | C29 | H29 | 1.1° | 35.0° |
| O27 | C26 | C16 | C17 | 105.1° | 120.0° |
| O27 | C26 | C16 | N15 | 15.2° | 0.0° |
| O27 | C26 | C16 | H18 | 134.9° | 120.1° |
| O27 | C26 | N28 | H28 | 179.6° | 180.0° |
| C26 | C16 | C17 | N15 | 119.7° | 120.0° |
| C26 | C16 | C17 | H18 | 119.8° | 120.0° |
| C26 | C16 | C17 | C18 | 168.0° | 175.0° |
| C26 | C16 | N15 | H18 | 119.3° | 120.0° |
| C26 | C16 | N15 | C13 | 116.9° | 155.0° |
| C26 | C16 | N15 | H17 | 63.1° | 25.0° |
| C26 | C16 | C17 | H19 | 72.3° | 65.0° |
| C26 | C16 | C17 | H20 | 48.2° | 55.0° |
| C16 | C26 | N28 | H28 | 0.6° | 0.0° |
| C16 | C17 | C18 | H19 | 119.7° | 120.0° |
| C16 | C17 | C18 | H20 | 119.8° | 120.0° |
| C17 | C16 | N15 | H18 | 120.1° | 119.9° |
| C16 | C17 | C18 | C19 | 103.2° | 89.7° |
| C16 | C17 | C18 | C25 | 77.7° | 90.0° |
| C17 | C16 | N15 | C13 | 122.5° | 85.0° |
| C17 | C16 | N15 | H17 | 57.5° | 95.0° |
| C16 | C17 | H19 | H20 | 120.8° | 120.0° |
| C18 | C17 | C16 | N15 | 72.3° | 65.0° |
| C17 | C18 | C19 | C25 | 179.1° | 179.7° |
| C17 | C18 | C19 | C20 | 179.7° | 180.0° |
| C17 | C18 | C25 | C24 | 180.0° | 179.8° |
| C18 | C17 | C16 | H18 | 48.2° | 55.0° |
| C18 | C17 | H19 | H20 | 120.8° | 120.0° |
| C17 | C18 | C19 | H21 | 0.2° | 0.1° |
| C17 | C18 | C25 | H27 | 0.0° | 0.0° |
| C16 | N15 | C13 | H17 | 180.0° | 180.0° |
| C16 | N15 | C13 | O14 | 0.2° | 0.0° |
| C16 | N15 | C13 | C11 | 177.8° | 180.0° |
| N15 | C16 | C17 | H19 | 47.4° | 55.0° |
| N15 | C16 | C17 | H20 | 168.0° | 175.0° |
| C18 | C19 | C20 | H21 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.5° | 0.0° |
| C19 | C18 | C25 | C24 | 0.8° | 0.5° |
| C19 | C18 | C17 | H19 | 137.1° | 150.3° |
| C19 | C18 | C17 | H20 | 16.6° | 30.3° |
| C18 | C19 | C20 | H22 | 179.5° | 179.9° |
| C19 | C18 | C25 | H27 | 179.2° | 179.7° |
| C20 | C19 | C18 | C25 | 0.6° | 0.3° |
| C19 | C20 | C21 | H22 | 180.0° | 180.0° |
| C19 | C20 | C21 | C24 | 0.7° | 0.0° |
| C19 | C20 | C21 | O22 | 179.6° | 180.0° |
| C18 | C25 | C24 | H27 | 180.0° | 179.7° |
| C18 | C25 | C24 | C21 | 1.0° | 0.5° |
| C25 | C18 | C17 | H19 | 42.0° | 30.0° |
| C25 | C18 | C17 | H20 | 162.5° | 150.0° |
| C25 | C18 | C19 | H21 | 179.4° | 179.7° |
| C18 | C25 | C24 | H26 | 179.0° | 179.7° |
| N15 | C13 | O14 | C11 | 177.5° | 180.0° |
| N15 | C13 | C11 | N1 | 130.5° | 180.0° |
| N15 | C13 | C11 | C12 | 112.1° | 60.0° |
| N15 | C13 | C11 | H13 | 8.3° | 60.0° |
| C13 | N15 | C16 | H18 | 2.4° | 35.0° |
| C6 | C7 | O8 | H8 | 119.4° | 119.9° |
| C6 | C7 | O8 | H9 | 119.5° | 119.9° |
| C7 | C6 | N5 | H4 | 119.7° | 120.0° |
| C7 | C6 | N5 | H5 | 119.7° | 119.9° |
| C6 | C7 | O8 | C9 | 56.9° | 58.7° |
| C7 | C6 | N5 | C10 | 67.4° | 58.6° |
| C7 | C6 | N5 | C4 | 155.2° | 177.6° |
| C7 | C6 | H4 | H5 | 120.9° | 120.2° |
| C6 | C7 | H8 | H9 | 121.5° | 120.1° |
| O8 | C7 | C6 | N5 | 56.5° | 56.8° |
| C7 | O8 | C9 | C10 | 61.3° | 58.7° |
| O8 | C7 | C6 | H4 | 63.3° | 176.8° |
| O8 | C7 | C6 | H5 | 176.2° | 63.1° |
| O8 | C7 | H8 | H9 | 121.5° | 120.1° |
| C7 | O8 | C9 | H10 | 58.5° | 61.3° |
| C7 | O8 | C9 | H11 | 178.8° | 178.6° |
| C6 | N5 | C10 | C4 | 136.1° | 123.8° |
| C6 | N5 | C4 | C2 | 72.8° | 66.3° |
| C6 | N5 | C10 | C9 | 67.5° | 58.6° |
| C6 | N5 | C4 | H1 | 48.0° | 53.7° |
| C6 | N5 | C4 | H2 | 166.3° | 173.7° |
| N5 | C6 | H4 | H5 | 120.8° | 120.0° |
| C6 | N5 | C10 | H6 | 51.4° | 61.3° |
| C6 | N5 | C10 | H7 | 173.6° | 178.6° |
| N5 | C6 | C7 | H8 | 63.0° | 176.8° |
| N5 | C6 | C7 | H9 | 175.9° | 63.1° |
| C20 | C21 | C24 | C25 | 1.0° | 0.2° |
| C20 | C21 | C24 | O22 | 178.8° | 179.9° |
| C20 | C21 | O22 | C23 | 144.3° | 180.0° |
| C21 | C20 | C19 | H21 | 179.4° | 180.0° |
| C20 | C21 | C24 | H26 | 179.0° | 180.0° |
| O8 | C9 | C10 | N5 | 60.9° | 56.8° |
| O8 | C9 | C10 | H10 | 119.9° | 120.0° |
| O8 | C9 | C10 | H11 | 119.9° | 119.9° |
| O8 | C9 | C10 | H6 | 58.0° | 63.1° |
| O8 | C9 | C10 | H7 | 179.8° | 176.9° |
| C9 | O8 | C7 | H8 | 62.5° | 178.6° |
| C9 | O8 | C7 | H9 | 176.4° | 61.2° |
| O8 | C9 | H10 | H11 | 120.4° | 120.1° |
| O14 | C13 | C11 | N1 | 51.8° | 0.0° |
| O14 | C13 | C11 | C12 | 65.7° | 120.0° |
| O14 | C13 | C11 | H13 | 174.0° | 120.0° |
| O14 | C13 | N15 | H17 | 179.8° | 180.0° |
| C13 | C11 | N1 | C2 | 94.6° | 155.0° |
| C13 | C11 | N1 | C12 | 117.8° | 120.1° |
| C13 | C11 | N1 | H13 | 121.7° | 120.0° |
| C13 | C11 | C12 | H13 | 120.4° | 120.0° |
| C13 | C11 | N1 | H12 | 85.4° | 25.0° |
| C13 | C11 | C12 | H14 | 180.0° | 60.0° |
| C13 | C11 | C12 | H15 | 60.0° | 180.0° |
| C13 | C11 | C12 | H16 | 60.0° | 59.9° |
| C11 | C13 | N15 | H17 | 2.2° | 0.0° |
| C25 | C24 | C21 | H26 | 180.0° | 179.8° |
| C25 | C24 | C21 | O22 | 179.8° | 179.7° |
| O3 | C2 | C4 | N5 | 2.6° | 0.3° |
| O3 | C2 | C4 | N1 | 178.8° | 179.7° |
| O3 | C2 | N1 | C11 | 0.8° | 0.3° |
| O3 | C2 | C4 | H1 | 123.4° | 119.7° |
| O3 | C2 | C4 | H2 | 118.2° | 120.2° |
| O3 | C2 | N1 | H12 | 179.2° | 179.8° |
| C10 | N5 | C4 | C2 | 62.1° | 170.0° |
| N5 | C10 | C9 | H6 | 118.9° | 119.9° |
| N5 | C10 | C9 | H7 | 118.9° | 120.0° |
| C10 | N5 | C4 | H1 | 177.1° | 70.0° |
| C10 | N5 | C4 | H2 | 58.8° | 50.0° |
| C10 | N5 | C6 | H4 | 52.3° | 178.5° |
| C10 | N5 | C6 | H5 | 172.9° | 61.4° |
| N5 | C10 | H6 | H7 | 123.1° | 120.1° |
| N5 | C10 | C9 | H10 | 59.0° | 63.1° |
| N5 | C10 | C9 | H11 | 179.3° | 176.7° |
| N5 | C4 | C2 | H1 | 120.8° | 120.0° |
| N5 | C4 | C2 | H2 | 120.8° | 120.0° |
| N5 | C4 | C2 | N1 | 178.6° | 180.0° |
| C4 | N5 | C10 | C9 | 156.4° | 177.6° |
| N5 | C4 | H1 | H2 | 117.4° | 120.0° |
| C4 | N5 | C6 | H4 | 85.1° | 57.6° |
| C4 | N5 | C6 | H5 | 35.4° | 62.4° |
| C4 | N5 | C10 | H6 | 84.7° | 62.5° |
| C4 | N5 | C10 | H7 | 37.5° | 57.6° |
| C4 | C2 | N1 | C11 | 179.6° | 180.0° |
| C2 | C4 | H1 | H2 | 117.5° | 120.0° |
| C4 | C2 | N1 | H12 | 0.4° | 0.0° |
| C2 | N1 | C11 | H12 | 180.0° | 179.9° |
| C2 | N1 | C11 | C12 | 147.7° | 85.0° |
| N1 | C2 | C4 | H1 | 57.8° | 60.0° |
| N1 | C2 | C4 | H2 | 60.6° | 60.0° |
| C2 | N1 | C11 | H13 | 27.1° | 35.0° |
| C24 | C21 | O22 | C23 | 37.0° | 0.0° |
| C24 | C21 | C20 | H22 | 179.3° | 180.0° |
| C21 | C24 | C25 | H27 | 179.0° | 179.8° |
| O22 | C21 | C20 | H22 | 0.5° | 0.1° |
| C21 | O22 | C23 | H23 | 180.0° | 179.9° |
| C21 | O22 | C23 | H24 | 60.0° | 60.0° |
| C21 | O22 | C23 | H25 | 60.0° | 60.0° |
| O22 | C21 | C24 | H26 | 0.2° | 0.1° |
| C9 | C10 | H6 | H7 | 123.1° | 120.1° |
| C10 | C9 | H10 | H11 | 120.3° | 120.1° |
| N1 | C11 | C12 | H13 | 121.2° | 119.9° |
| N1 | C11 | C12 | H14 | 61.6° | 60.1° |
| N1 | C11 | C12 | H15 | 178.4° | 59.9° |
| N1 | C11 | C12 | H16 | 58.4° | 180.0° |
| C12 | C11 | N1 | H12 | 32.3° | 95.1° |
| C11 | C12 | H14 | H15 | 120.0° | 120.0° |
| C11 | C12 | H14 | H16 | 120.0° | 119.9° |
| C11 | C12 | H15 | H16 | 120.0° | 120.0° |
| O22 | C23 | H23 | H24 | 120.0° | 120.0° |
| O22 | C23 | H23 | H25 | 120.0° | 120.0° |
| O22 | C23 | H24 | H25 | 120.0° | 120.1° |
| H4 | C6 | C7 | H8 | 177.3° | 63.3° |
| H4 | C6 | C7 | H9 | 56.2° | 56.8° |
| H5 | C6 | C7 | H8 | 56.7° | 56.9° |
| H5 | C6 | C7 | H9 | 64.4° | 177.0° |
| H6 | C10 | C9 | H10 | 177.9° | 176.9° |
| H6 | C10 | C9 | H11 | 61.8° | 56.8° |
| H7 | C10 | C9 | H10 | 59.9° | 56.9° |
| H7 | C10 | C9 | H11 | 60.3° | 63.2° |
| H12 | N1 | C11 | H13 | 152.9° | 145.0° |
| H13 | C11 | C12 | H14 | 59.6° | 180.0° |
| H13 | C11 | C12 | H15 | 60.4° | 60.0° |
| H13 | C11 | C12 | H16 | 179.6° | 60.1° |
| H14 | C12 | H15 | H16 | 120.0° | 120.0° |
| H17 | N15 | C16 | H18 | 177.6° | 145.1° |
| H18 | C16 | C17 | H19 | 167.9° | 175.0° |
| H18 | C16 | C17 | H20 | 71.6° | 65.0° |
| H21 | C19 | C20 | H22 | 0.5° | 0.0° |
| H23 | C23 | H24 | H25 | 119.9° | 120.0° |
| H26 | C24 | C25 | H27 | 1.0° | 0.0° |
| H28 | N28 | C29 | H29 | 178.8° | 145.0° |
| H29 | C29 | C30 | H30 | 179.7° | 175.6° |
| H29 | C29 | C30 | H31 | 61.7° | 64.3° |
| H30 | C30 | C41 | H32 | 49.8° | 65.6° |
| H31 | C30 | C41 | H32 | 168.4° | 174.3° |
| H32 | C41 | C42 | H33 | 66.8° | 59.9° |
| H32 | C41 | C42 | H34 | 172.7° | 180.0° |
| H32 | C41 | C46 | H41 | 179.6° | 179.9° |
| H32 | C41 | C46 | H42 | 59.9° | 60.0° |
| H33 | C42 | C43 | H35 | 65.9° | 60.1° |
| H33 | C42 | C43 | H36 | 53.8° | 60.0° |
| H34 | C42 | C43 | H35 | 173.6° | 180.0° |
| H34 | C42 | C43 | H36 | 66.7° | 59.9° |
| H35 | C43 | C44 | H37 | 55.9° | 60.1° |
| H35 | C43 | C44 | H38 | 175.5° | 180.0° |
| H36 | C43 | C44 | H37 | 63.8° | 60.0° |
| H36 | C43 | C44 | H38 | 55.8° | 60.0° |
| H37 | C44 | C45 | H39 | 70.4° | 60.0° |
| H37 | C44 | C45 | H40 | 48.7° | 59.9° |
| H38 | C44 | C45 | H39 | 49.2° | 179.9° |
| H38 | C44 | C45 | H40 | 168.3° | 60.1° |
| H39 | C45 | C46 | H41 | 51.8° | 180.0° |
| H39 | C45 | C46 | H42 | 67.9° | 60.0° |
| H40 | C45 | C46 | H41 | 170.9° | 60.0° |
| H40 | C45 | C46 | H42 | 51.2° | 59.9° |
| H45 | C37 | C38 | H46 | 55.0° | 60.0° |
| H45 | C37 | C38 | H47 | 175.0° | 60.0° |
| H45 | C37 | C38 | H48 | 65.0° | 180.0° |
| H45 | C37 | C39 | H49 | 128.0° | 64.9° |
| H45 | C37 | C39 | H50 | 111.0° | 175.1° |
| H46 | C38 | H47 | H48 | 120.0° | 120.0° |
| H49 | C39 | O40 | H51 | 60.5° | 60.0° |
| H50 | C39 | O40 | H51 | 60.5° | 60.0° |
