Y1F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.52Å | 1.57Å | |
| C1 | N3 | sing | 1.45Å | 1.53Å | |
| C2 | C6 | sing | 1.50Å | 1.51Å | |
| N3 | C4 | sing | 1.46Å | 1.48Å | |
| N3 | C13 | sing | 1.35Å | 1.39Å | |
| C4 | C5 | sing | 1.50Å | 1.58Å | |
| C5 | C7 | sing | 1.49Å | 1.57Å | |
| C6 | C7 | sing | 1.51Å | 1.62Å | |
| C6 | C10 | sing | 1.55Å | 1.51Å | |
| C7 | C8 | sing | 1.54Å | 1.53Å | |
| C8 | N9 | sing | 1.49Å | 1.50Å | |
| N9 | C10 | sing | 1.48Å | 1.53Å | |
| N9 | C32 | sing | 1.35Å | 1.39Å | |
| C13 | C14 | sing | 1.48Å | 1.51Å | |
| C13 | O15 | doub | 1.22Å | 1.20Å | |
| C14 | C16 | doub | 1.40Å | 1.42Å | Aromatic |
| C14 | C20 | sing | 1.40Å | 1.42Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| C17 | N18 | doub | 1.32Å | 1.34Å | Aromatic |
| C17 | C21 | sing | 1.51Å | 1.50Å | |
| N18 | C19 | sing | 1.32Å | 1.36Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| C19 | O24 | sing | 1.36Å | 1.36Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | C23 | sing | 1.53Å | 1.55Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| O24 | C25 | sing | 1.43Å | 1.42Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | C31 | sing | 1.53Å | 1.55Å | |
| C27 | C28 | sing | 1.53Å | 1.57Å | |
| C28 | O29 | sing | 1.43Å | 1.43Å | |
| O29 | C30 | sing | 1.43Å | 1.43Å | |
| C30 | C31 | sing | 1.53Å | 1.56Å | |
| C32 | C33 | sing | 1.48Å | 1.48Å | |
| C32 | O34 | doub | 1.22Å | 1.24Å | |
| C33 | C35 | doub | 1.40Å | 1.40Å | Aromatic |
| C33 | C37 | sing | 1.39Å | 1.43Å | Aromatic |
| C35 | C36 | sing | 1.36Å | 1.36Å | Aromatic |
| C36 | C39 | doub | 1.39Å | 1.42Å | Aromatic |
| C37 | C38 | doub | 1.40Å | 1.43Å | Aromatic |
| C38 | C39 | sing | 1.41Å | 1.43Å | Aromatic |
| C38 | N42 | sing | 1.35Å | 1.39Å | Aromatic |
| C39 | N40 | sing | 1.37Å | 1.42Å | Aromatic |
| N40 | N41 | sing | 1.40Å | 1.35Å | Aromatic |
| N41 | N42 | doub | 1.29Å | 1.34Å | Aromatic |
| C10 | H54 | sing | 1.09Å | 1.10Å | |
| C10 | H53 | sing | 1.09Å | 1.10Å | |
| C16 | H55 | sing | 1.08Å | 1.08Å | |
| C20 | H56 | sing | 1.08Å | 1.08Å | |
| C21 | H57 | sing | 1.09Å | 1.10Å | |
| C22 | H58 | sing | 1.09Å | 1.10Å | |
| C22 | H59 | sing | 1.09Å | 1.10Å | |
| C23 | H61 | sing | 1.09Å | 1.10Å | |
| C23 | H60 | sing | 1.09Å | 1.10Å | |
| C25 | H63 | sing | 1.09Å | 1.10Å | |
| C25 | H62 | sing | 1.09Å | 1.10Å | |
| C26 | H64 | sing | 1.09Å | 1.10Å | |
| C27 | H66 | sing | 1.09Å | 1.10Å | |
| C27 | H65 | sing | 1.09Å | 1.10Å | |
| C28 | H67 | sing | 1.09Å | 1.10Å | |
| C28 | H68 | sing | 1.09Å | 1.10Å | |
| C1 | H43 | sing | 1.09Å | 1.10Å | |
| C1 | H44 | sing | 1.09Å | 1.10Å | |
| C2 | H45 | sing | 1.09Å | 1.10Å | |
| C2 | H46 | sing | 1.09Å | 1.10Å | |
| C4 | H47 | sing | 1.09Å | 1.10Å | |
| C4 | H48 | sing | 1.09Å | 1.10Å | |
| C5 | H49 | sing | 1.09Å | 1.10Å | |
| C5 | H50 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H51 | sing | 1.09Å | 1.10Å | |
| C8 | H52 | sing | 1.09Å | 1.10Å | |
| C30 | H70 | sing | 1.09Å | 1.10Å | |
| C30 | H69 | sing | 1.09Å | 1.10Å | |
| C31 | H72 | sing | 1.09Å | 1.10Å | |
| C31 | H71 | sing | 1.09Å | 1.10Å | |
| C35 | H73 | sing | 1.08Å | 1.08Å | |
| C36 | H74 | sing | 1.08Å | 1.08Å | |
| C37 | H75 | sing | 1.08Å | 1.08Å | |
| N40 | H76 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | N3 | 113.4° | 110.1° |
| C1 | C2 | C6 | 115.0° | 115.0° |
| C2 | C1 | H43 | 108.4° | 109.3° |
| C2 | C1 | H44 | 108.5° | 109.4° |
| C1 | C2 | H45 | 108.1° | 108.4° |
| C1 | C2 | H46 | 108.1° | 108.4° |
| C1 | N3 | C4 | 121.0° | 121.3° |
| C1 | N3 | C13 | 117.2° | 119.4° |
| N3 | C1 | H43 | 108.5° | 109.4° |
| N3 | C1 | H44 | 108.5° | 109.3° |
| C2 | C6 | C7 | 120.5° | 116.1° |
| C2 | C6 | C10 | 105.8° | 108.8° |
| C6 | C2 | H45 | 108.1° | 108.3° |
| C6 | C2 | H46 | 108.1° | 108.4° |
| C2 | C6 | H11 | 109.3° | 109.2° |
| C4 | N3 | C13 | 120.2° | 119.3° |
| N3 | C4 | C5 | 110.9° | 113.2° |
| N3 | C4 | H47 | 109.1° | 108.7° |
| N3 | C4 | H48 | 109.1° | 108.7° |
| N3 | C13 | C14 | 123.0° | 120.0° |
| N3 | C13 | O15 | 117.9° | 120.0° |
| C4 | C5 | C7 | 113.5° | 116.5° |
| C5 | C4 | H47 | 109.1° | 108.7° |
| C5 | C4 | H48 | 109.1° | 108.8° |
| C4 | C5 | H49 | 108.5° | 108.1° |
| C4 | C5 | H50 | 108.5° | 108.0° |
| C5 | C7 | C6 | 119.5° | 119.9° |
| C5 | C7 | C8 | 109.4° | 112.9° |
| C7 | C5 | H49 | 108.5° | 108.1° |
| C7 | C5 | H50 | 108.4° | 108.0° |
| C5 | C7 | H12 | 108.7° | 106.8° |
| C7 | C6 | C10 | 103.5° | 104.6° |
| C6 | C7 | C8 | 101.5° | 104.2° |
| C7 | C6 | H11 | 108.0° | 108.7° |
| C6 | C7 | H12 | 108.1° | 106.5° |
| C6 | C10 | N9 | 102.0° | 106.9° |
| C6 | C10 | H54 | 111.3° | 110.0° |
| C6 | C10 | H53 | 111.3° | 110.0° |
| C10 | C6 | H11 | 109.3° | 109.2° |
| C7 | C8 | N9 | 101.0° | 102.4° |
| C8 | C7 | H12 | 109.2° | 105.5° |
| C7 | C8 | H51 | 111.6° | 110.9° |
| C7 | C8 | H52 | 111.5° | 110.8° |
| C8 | N9 | C10 | 113.1° | 106.1° |
| C8 | N9 | C32 | 127.2° | 127.0° |
| N9 | C8 | H51 | 111.6° | 110.8° |
| N9 | C8 | H52 | 111.6° | 110.8° |
| C10 | N9 | C32 | 119.7° | 126.9° |
| N9 | C10 | H54 | 111.3° | 110.0° |
| N9 | C10 | H53 | 111.3° | 110.0° |
| N9 | C32 | C33 | 121.5° | 120.1° |
| N9 | C32 | O34 | 119.2° | 119.9° |
| C14 | C13 | O15 | 119.0° | 120.0° |
| C13 | C14 | C16 | 116.1° | 120.9° |
| C13 | C14 | C20 | 121.7° | 120.9° |
| C16 | C14 | C20 | 122.2° | 118.2° |
| C14 | C16 | C17 | 118.3° | 119.1° |
| C14 | C16 | H55 | 120.8° | 120.4° |
| C14 | C20 | C19 | 112.9° | 118.9° |
| C14 | C20 | H56 | 123.6° | 120.6° |
| C16 | C17 | N18 | 122.0° | 121.0° |
| C16 | C17 | C21 | 122.0° | 119.5° |
| C17 | C16 | H55 | 120.8° | 120.4° |
| N18 | C17 | C21 | 115.8° | 119.5° |
| C17 | N18 | C19 | 119.2° | 121.9° |
| C17 | C21 | C22 | 120.2° | 117.5° |
| C17 | C21 | C23 | 121.7° | 117.5° |
| C17 | C21 | H57 | 115.3° | 115.5° |
| N18 | C19 | C20 | 125.4° | 120.8° |
| N18 | C19 | O24 | 118.9° | 119.6° |
| C20 | C19 | O24 | 115.7° | 119.6° |
| C19 | C20 | H56 | 123.6° | 120.5° |
| C19 | O24 | C25 | 119.2° | 117.0° |
| C22 | C21 | C23 | 59.6° | 60.0° |
| C21 | C22 | C23 | 60.7° | 60.0° |
| C22 | C21 | H57 | 114.5° | 117.5° |
| C21 | C22 | H58 | 119.9° | 117.5° |
| C21 | C22 | H59 | 119.9° | 117.4° |
| C21 | C23 | C22 | 59.7° | 60.0° |
| C23 | C21 | H57 | 114.3° | 117.5° |
| C21 | C23 | H61 | 120.1° | 117.5° |
| C21 | C23 | H60 | 120.1° | 117.5° |
| C23 | C22 | H58 | 119.9° | 117.5° |
| C23 | C22 | H59 | 119.9° | 117.4° |
| C22 | C23 | H61 | 120.0° | 117.5° |
| C22 | C23 | H60 | 120.0° | 117.5° |
| O24 | C25 | C26 | 105.5° | 109.5° |
| O24 | C25 | H63 | 110.5° | 109.5° |
| O24 | C25 | H62 | 110.4° | 109.5° |
| C25 | C26 | C27 | 105.9° | 109.5° |
| C25 | C26 | C31 | 109.8° | 109.5° |
| C26 | C25 | H63 | 110.4° | 109.4° |
| C26 | C25 | H62 | 110.5° | 109.5° |
| C25 | C26 | H64 | 111.1° | 109.5° |
| C27 | C26 | C31 | 107.8° | 109.0° |
| C26 | C27 | C28 | 107.9° | 109.1° |
| C27 | C26 | H64 | 111.1° | 109.6° |
| C26 | C27 | H66 | 109.9° | 109.5° |
| C26 | C27 | H65 | 109.9° | 109.6° |
| C26 | C31 | C30 | 110.8° | 109.1° |
| C31 | C26 | H64 | 110.9° | 109.6° |
| C26 | C31 | H72 | 109.2° | 109.5° |
| C26 | C31 | H71 | 109.1° | 109.5° |
| C27 | C28 | O29 | 106.0° | 109.4° |
| C28 | C27 | H66 | 109.9° | 109.5° |
| C28 | C27 | H65 | 109.9° | 109.5° |
| C27 | C28 | H67 | 110.4° | 109.5° |
| C27 | C28 | H68 | 110.3° | 109.4° |
| C28 | O29 | C30 | 115.3° | 114.1° |
| O29 | C28 | H67 | 110.3° | 109.5° |
| O29 | C28 | H68 | 110.4° | 109.5° |
| O29 | C30 | C31 | 111.9° | 109.4° |
| O29 | C30 | H70 | 108.9° | 109.5° |
| O29 | C30 | H69 | 108.8° | 109.5° |
| C31 | C30 | H70 | 108.9° | 109.5° |
| C31 | C30 | H69 | 108.9° | 109.5° |
| C30 | C31 | H72 | 109.1° | 109.5° |
| C30 | C31 | H71 | 109.2° | 109.5° |
| C33 | C32 | O34 | 119.2° | 120.0° |
| C32 | C33 | C35 | 112.5° | 119.8° |
| C32 | C33 | C37 | 122.3° | 119.9° |
| C35 | C33 | C37 | 125.1° | 120.3° |
| C33 | C35 | C36 | 120.4° | 120.4° |
| C33 | C35 | H73 | 119.8° | 119.7° |
| C33 | C37 | C38 | 113.9° | 119.5° |
| C33 | C37 | H75 | 123.0° | 120.3° |
| C35 | C36 | C39 | 117.7° | 120.1° |
| C36 | C35 | H73 | 119.8° | 119.8° |
| C35 | C36 | H74 | 121.1° | 119.9° |
| C36 | C39 | C38 | 122.7° | 120.2° |
| C36 | C39 | N40 | 131.6° | 133.7° |
| C39 | C36 | H74 | 121.2° | 120.0° |
| C37 | C38 | C39 | 120.2° | 119.4° |
| C37 | C38 | N42 | 133.4° | 133.1° |
| C38 | C37 | H75 | 123.0° | 120.2° |
| C39 | C38 | N42 | 106.5° | 107.6° |
| C38 | C39 | N40 | 105.8° | 106.1° |
| C38 | N42 | N41 | 108.9° | 110.2° |
| C39 | N40 | N41 | 107.9° | 106.7° |
| C39 | N40 | H76 | 126.0° | 126.6° |
| N40 | N41 | N42 | 110.9° | 109.5° |
| N41 | N40 | H76 | 126.1° | 126.7° |
| H54 | C10 | H53 | 109.5° | 109.9° |
| H58 | C22 | H59 | 109.5° | 115.6° |
| H61 | C23 | H60 | 109.5° | 115.5° |
| H63 | C25 | H62 | 109.5° | 109.5° |
| H66 | C27 | H65 | 109.5° | 109.6° |
| H67 | C28 | H68 | 109.5° | 109.5° |
| H43 | C1 | H44 | 109.5° | 109.3° |
| H45 | C2 | H46 | 109.5° | 108.2° |
| H47 | C4 | H48 | 109.4° | 108.6° |
| H49 | C5 | H50 | 109.5° | 107.9° |
| H51 | C8 | H52 | 109.5° | 110.9° |
| H70 | C30 | H69 | 109.5° | 109.5° |
| H72 | C31 | H71 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | N3 | H43 | 120.5° | 120.1° |
| C2 | C1 | N3 | H44 | 120.6° | 120.2° |
| C1 | C2 | C6 | H45 | 120.8° | 121.4° |
| C1 | C2 | C6 | H46 | 120.8° | 121.5° |
| C2 | C1 | N3 | C4 | 18.5° | 62.1° |
| C2 | C1 | N3 | C13 | 176.0° | 117.9° |
| C1 | C2 | C6 | C7 | 76.9° | 81.4° |
| C1 | C2 | C6 | C10 | 166.5° | 161.0° |
| C2 | C1 | H43 | H44 | 118.2° | 119.7° |
| C1 | C2 | H45 | H46 | 117.5° | 117.3° |
| C1 | C2 | C6 | H11 | 48.9° | 41.9° |
| N3 | C1 | C2 | C6 | 58.1° | 74.4° |
| C1 | N3 | C4 | C13 | 165.0° | 180.0° |
| C1 | N3 | C4 | C5 | 87.0° | 74.5° |
| C1 | N3 | C13 | C14 | 178.8° | 176.5° |
| C1 | N3 | C13 | O15 | 0.9° | 3.6° |
| N3 | C1 | H43 | H44 | 118.2° | 119.7° |
| N3 | C1 | C2 | H45 | 178.9° | 164.2° |
| N3 | C1 | C2 | H46 | 62.7° | 47.0° |
| C1 | N3 | C4 | H47 | 33.3° | 164.6° |
| C1 | N3 | C4 | H48 | 152.8° | 46.5° |
| C2 | C6 | C7 | C5 | 45.8° | 31.7° |
| C2 | C6 | C7 | C10 | 117.8° | 119.9° |
| C2 | C6 | C7 | H11 | 126.4° | 123.6° |
| C2 | C6 | C10 | H11 | 117.5° | 119.2° |
| C2 | C6 | C7 | C8 | 74.4° | 95.8° |
| C2 | C6 | C10 | N9 | 99.1° | 123.5° |
| C2 | C6 | C10 | H54 | 142.1° | 117.1° |
| C2 | C6 | C10 | H53 | 19.7° | 4.1° |
| C6 | C2 | C1 | H43 | 178.7° | 165.4° |
| C6 | C2 | C1 | H44 | 62.5° | 45.8° |
| C6 | C2 | H45 | H46 | 117.5° | 117.3° |
| C2 | C6 | C7 | H12 | 170.7° | 153.0° |
| N3 | C4 | C5 | H47 | 120.2° | 121.0° |
| N3 | C4 | C5 | H48 | 120.2° | 121.0° |
| N3 | C4 | C5 | C7 | 77.7° | 78.1° |
| C4 | N3 | C13 | C14 | 15.6° | 3.5° |
| C4 | N3 | C13 | O15 | 164.7° | 176.4° |
| C4 | N3 | C1 | H43 | 102.0° | 177.7° |
| C4 | N3 | C1 | H44 | 139.1° | 58.1° |
| N3 | C4 | H47 | H48 | 119.4° | 118.1° |
| N3 | C4 | C5 | H49 | 161.7° | 43.7° |
| N3 | C4 | C5 | H50 | 42.9° | 160.2° |
| C13 | N3 | C4 | C5 | 108.0° | 105.5° |
| N3 | C13 | C14 | O15 | 179.7° | 179.9° |
| N3 | C13 | C14 | C16 | 63.3° | 143.4° |
| N3 | C13 | C14 | C20 | 119.6° | 36.6° |
| C13 | N3 | C1 | H43 | 63.4° | 2.3° |
| C13 | N3 | C1 | H44 | 55.4° | 121.9° |
| C13 | N3 | C4 | H47 | 131.8° | 15.4° |
| C13 | N3 | C4 | H48 | 12.2° | 133.5° |
| C4 | C5 | C7 | H49 | 120.6° | 121.8° |
| C4 | C5 | C7 | H50 | 120.6° | 121.7° |
| C4 | C5 | C7 | C6 | 41.3° | 37.9° |
| C4 | C5 | C7 | C8 | 74.9° | 161.3° |
| C5 | C4 | H47 | H48 | 119.3° | 118.2° |
| C4 | C5 | H49 | H50 | 118.2° | 116.6° |
| C4 | C5 | C7 | H12 | 165.9° | 83.3° |
| C5 | C7 | C6 | C8 | 120.3° | 127.5° |
| C5 | C7 | C6 | H12 | 124.9° | 121.3° |
| C5 | C7 | C6 | C10 | 163.6° | 151.6° |
| C5 | C7 | C8 | H12 | 118.8° | 116.3° |
| C5 | C7 | C8 | N9 | 165.5° | 170.1° |
| C7 | C5 | C4 | H47 | 42.5° | 160.9° |
| C7 | C5 | C4 | H48 | 162.1° | 42.9° |
| C7 | C5 | H49 | H50 | 118.2° | 116.6° |
| C5 | C7 | C6 | H11 | 80.6° | 91.9° |
| C5 | C7 | C8 | H51 | 46.8° | 51.9° |
| C5 | C7 | C8 | H52 | 75.9° | 71.7° |
| C7 | C6 | C10 | H11 | 114.9° | 116.2° |
| C6 | C7 | C8 | H12 | 114.0° | 112.0° |
| C6 | C7 | C8 | N9 | 38.3° | 38.4° |
| C7 | C6 | C10 | N9 | 28.6° | 1.2° |
| C7 | C6 | C10 | H54 | 90.2° | 118.2° |
| C7 | C6 | C10 | H53 | 147.3° | 120.6° |
| C7 | C6 | C2 | H45 | 162.3° | 157.3° |
| C7 | C6 | C2 | H46 | 44.0° | 40.1° |
| C6 | C7 | C5 | H49 | 161.9° | 83.9° |
| C6 | C7 | C5 | H50 | 79.3° | 159.6° |
| C6 | C7 | C8 | H51 | 80.3° | 79.8° |
| C6 | C7 | C8 | H52 | 157.0° | 156.6° |
| C10 | C6 | C7 | C8 | 43.4° | 24.1° |
| C6 | C10 | N9 | C8 | 4.7° | 23.4° |
| C6 | C10 | N9 | H54 | 118.8° | 119.4° |
| C6 | C10 | N9 | H53 | 118.8° | 119.4° |
| C6 | C10 | N9 | C32 | 172.7° | 156.5° |
| C6 | C10 | H54 | H53 | 123.5° | 121.3° |
| C10 | C6 | C2 | H45 | 45.7° | 39.6° |
| C10 | C6 | C2 | H46 | 72.7° | 77.5° |
| C10 | C6 | C7 | H12 | 71.5° | 87.1° |
| C7 | C8 | N9 | H51 | 118.6° | 118.3° |
| C7 | C8 | N9 | H52 | 118.6° | 118.2° |
| C7 | C8 | N9 | C10 | 22.6° | 38.1° |
| C7 | C8 | N9 | C32 | 160.3° | 141.8° |
| C8 | C7 | C5 | H49 | 45.7° | 39.5° |
| C8 | C7 | C5 | H50 | 164.5° | 77.0° |
| C8 | C7 | C6 | H11 | 159.2° | 140.6° |
| C7 | C8 | H51 | H52 | 123.9° | 123.6° |
| C8 | N9 | C10 | C32 | 177.4° | 179.9° |
| C8 | N9 | C32 | C33 | 7.1° | 174.6° |
| C8 | N9 | C32 | O34 | 169.4° | 5.4° |
| C8 | N9 | C10 | H54 | 114.1° | 142.8° |
| C8 | N9 | C10 | H53 | 123.5° | 96.0° |
| N9 | C8 | C7 | H12 | 75.7° | 73.6° |
| N9 | C8 | H51 | H52 | 123.9° | 123.5° |
| C10 | N9 | C32 | C33 | 169.8° | 5.5° |
| C10 | N9 | C32 | O34 | 13.6° | 174.5° |
| N9 | C10 | H54 | H53 | 123.5° | 121.2° |
| N9 | C10 | C6 | H11 | 143.4° | 117.4° |
| C10 | N9 | C8 | H51 | 96.1° | 80.2° |
| C10 | N9 | C8 | H52 | 141.2° | 156.3° |
| N9 | C32 | C33 | O34 | 176.5° | 179.9° |
| N9 | C32 | C33 | C35 | 63.6° | 22.3° |
| N9 | C32 | C33 | C37 | 118.7° | 157.9° |
| C32 | N9 | C10 | H54 | 68.5° | 37.1° |
| C32 | N9 | C10 | H53 | 53.9° | 84.1° |
| C32 | N9 | C8 | H51 | 81.0° | 99.9° |
| C32 | N9 | C8 | H52 | 41.7° | 23.6° |
| C13 | C14 | C16 | C20 | 177.1° | 180.0° |
| C13 | C14 | C16 | C17 | 176.2° | 180.0° |
| C13 | C14 | C20 | C19 | 175.9° | 179.5° |
| C13 | C14 | C16 | H55 | 3.8° | 0.3° |
| C13 | C14 | C20 | H56 | 4.1° | 0.5° |
| O15 | C13 | C14 | C16 | 116.3° | 36.6° |
| O15 | C13 | C14 | C20 | 60.7° | 143.5° |
| C14 | C16 | C17 | H55 | 180.0° | 179.7° |
| C14 | C16 | C17 | N18 | 0.9° | 0.3° |
| C14 | C16 | C17 | C21 | 174.8° | 179.7° |
| C16 | C14 | C20 | C19 | 1.1° | 0.5° |
| C16 | C14 | C20 | H56 | 179.0° | 179.5° |
| C20 | C14 | C16 | C17 | 0.8° | 0.0° |
| C14 | C20 | C19 | N18 | 1.5° | 0.8° |
| C14 | C20 | C19 | H56 | 180.0° | 180.0° |
| C14 | C20 | C19 | O24 | 176.8° | 179.9° |
| C20 | C14 | C16 | H55 | 179.1° | 179.7° |
| C16 | C17 | N18 | C21 | 175.9° | 180.0° |
| C16 | C17 | N18 | C19 | 1.3° | 0.0° |
| C16 | C17 | C21 | C22 | 147.7° | 85.0° |
| C16 | C17 | C21 | C23 | 141.5° | 16.4° |
| C16 | C17 | C21 | H57 | 4.1° | 129.4° |
| C17 | N18 | C19 | C20 | 1.6° | 0.5° |
| C17 | N18 | C19 | O24 | 176.6° | 179.7° |
| N18 | C17 | C21 | C22 | 36.3° | 95.0° |
| N18 | C17 | C21 | C23 | 34.5° | 163.6° |
| N18 | C17 | C16 | H55 | 179.1° | 180.0° |
| N18 | C17 | C21 | H57 | 180.0° | 50.7° |
| C21 | C17 | N18 | C19 | 174.6° | 180.0° |
| C17 | C21 | C22 | C23 | 111.3° | 107.5° |
| C17 | C21 | C22 | H57 | 143.9° | 145.0° |
| C17 | C21 | C23 | H57 | 145.9° | 145.0° |
| C21 | C17 | C16 | H55 | 5.3° | 0.0° |
| C17 | C21 | C22 | H58 | 139.1° | 145.0° |
| C17 | C21 | C22 | H59 | 1.6° | 0.0° |
| C17 | C21 | C23 | H61 | 0.5° | 0.0° |
| C17 | C21 | C23 | H60 | 141.7° | 145.0° |
| N18 | C19 | C20 | O24 | 178.3° | 179.2° |
| N18 | C19 | O24 | C25 | 1.5° | 0.8° |
| N18 | C19 | C20 | H56 | 178.5° | 179.2° |
| C20 | C19 | O24 | C25 | 180.0° | 180.0° |
| C19 | O24 | C25 | C26 | 177.4° | 180.0° |
| O24 | C19 | C20 | H56 | 3.2° | 0.1° |
| C19 | O24 | C25 | H63 | 63.2° | 60.0° |
| C19 | O24 | C25 | H62 | 58.0° | 60.0° |
| C22 | C21 | C23 | H57 | 105.3° | 107.5° |
| C21 | C22 | C23 | H58 | 109.7° | 107.5° |
| C21 | C22 | C23 | H59 | 109.6° | 107.4° |
| C21 | C22 | H58 | H59 | 144.4° | 145.7° |
| C22 | C21 | C23 | H61 | 109.4° | 107.5° |
| C22 | C21 | C23 | H60 | 109.4° | 107.5° |
| C21 | C23 | H61 | H60 | 144.9° | 145.7° |
| C23 | C22 | H58 | H59 | 144.4° | 145.7° |
| C22 | C23 | H61 | H60 | 144.9° | 145.7° |
| O24 | C25 | C26 | H63 | 119.4° | 120.0° |
| O24 | C25 | C26 | H62 | 119.4° | 120.1° |
| O24 | C25 | C26 | C27 | 171.7° | 175.0° |
| O24 | C25 | C26 | C31 | 72.1° | 65.4° |
| O24 | C25 | H63 | H62 | 121.8° | 120.1° |
| O24 | C25 | C26 | H64 | 51.0° | 54.8° |
| C25 | C26 | C27 | C31 | 117.5° | 119.9° |
| C25 | C26 | C27 | H64 | 120.7° | 120.2° |
| C25 | C26 | C31 | H64 | 123.2° | 120.2° |
| C25 | C26 | C27 | C28 | 179.2° | 176.9° |
| C25 | C26 | C31 | C30 | 168.4° | 176.9° |
| C26 | C25 | H63 | H62 | 121.8° | 120.0° |
| C25 | C26 | C27 | H66 | 61.0° | 63.3° |
| C25 | C26 | C27 | H65 | 59.5° | 57.0° |
| C25 | C26 | C31 | H72 | 48.2° | 57.0° |
| C25 | C26 | C31 | H71 | 71.4° | 63.3° |
| C27 | C26 | C31 | H64 | 121.8° | 119.9° |
| C26 | C27 | C28 | H66 | 119.7° | 119.9° |
| C26 | C27 | C28 | H65 | 119.8° | 119.9° |
| C26 | C27 | C28 | O29 | 65.2° | 57.6° |
| C27 | C26 | C31 | C30 | 53.4° | 57.0° |
| C27 | C26 | C25 | H63 | 52.3° | 65.0° |
| C27 | C26 | C25 | H62 | 68.9° | 55.0° |
| C26 | C27 | H66 | H65 | 120.8° | 120.2° |
| C26 | C27 | C28 | H67 | 54.2° | 62.4° |
| C26 | C27 | C28 | H68 | 175.3° | 177.6° |
| C27 | C26 | C31 | H72 | 66.8° | 62.9° |
| C27 | C26 | C31 | H71 | 173.6° | 176.9° |
| C31 | C26 | C27 | C28 | 61.7° | 57.0° |
| C26 | C31 | C30 | O29 | 49.4° | 57.6° |
| C26 | C31 | C30 | H72 | 120.2° | 119.9° |
| C26 | C31 | C30 | H71 | 120.2° | 119.9° |
| C31 | C26 | C25 | H63 | 168.5° | 54.6° |
| C31 | C26 | C25 | H62 | 47.3° | 174.5° |
| C31 | C26 | C27 | H66 | 178.6° | 176.9° |
| C31 | C26 | C27 | H65 | 58.1° | 62.9° |
| C26 | C31 | C30 | H70 | 70.9° | 62.4° |
| C26 | C31 | C30 | H69 | 169.8° | 177.6° |
| C26 | C31 | H72 | H71 | 119.4° | 120.2° |
| C27 | C28 | O29 | H67 | 119.5° | 120.0° |
| C27 | C28 | O29 | H68 | 119.5° | 119.9° |
| C27 | C28 | O29 | C30 | 63.6° | 61.2° |
| C28 | C27 | C26 | H64 | 60.1° | 63.0° |
| C28 | C27 | H66 | H65 | 120.7° | 120.1° |
| C27 | C28 | H67 | H68 | 121.6° | 120.0° |
| C28 | O29 | C30 | C31 | 56.7° | 61.1° |
| O29 | C28 | C27 | H66 | 175.0° | 177.5° |
| O29 | C28 | C27 | H65 | 54.5° | 62.3° |
| O29 | C28 | H67 | H68 | 121.6° | 120.1° |
| C28 | O29 | C30 | H70 | 63.7° | 58.8° |
| C28 | O29 | C30 | H69 | 177.1° | 178.9° |
| O29 | C30 | C31 | H70 | 120.4° | 119.9° |
| O29 | C30 | C31 | H69 | 120.3° | 120.0° |
| C30 | O29 | C28 | H67 | 55.9° | 58.8° |
| C30 | O29 | C28 | H68 | 176.9° | 178.9° |
| O29 | C30 | H70 | H69 | 118.9° | 120.1° |
| O29 | C30 | C31 | H72 | 70.8° | 62.3° |
| O29 | C30 | C31 | H71 | 169.6° | 177.4° |
| C30 | C31 | C26 | H64 | 68.4° | 63.0° |
| C31 | C30 | H70 | H69 | 118.9° | 120.0° |
| C30 | C31 | H72 | H71 | 119.4° | 120.2° |
| C32 | C33 | C35 | C37 | 177.6° | 179.8° |
| C32 | C33 | C35 | C36 | 177.9° | 179.9° |
| C32 | C33 | C37 | C38 | 176.0° | 180.0° |
| C32 | C33 | C35 | H73 | 2.1° | 0.0° |
| C32 | C33 | C37 | H75 | 4.0° | 0.1° |
| O34 | C32 | C33 | C35 | 119.9° | 157.6° |
| O34 | C32 | C33 | C37 | 57.8° | 22.2° |
| C33 | C35 | C36 | H73 | 180.0° | 180.0° |
| C33 | C35 | C36 | C39 | 1.2° | 0.0° |
| C35 | C33 | C37 | C38 | 1.4° | 0.2° |
| C33 | C35 | C36 | H74 | 178.8° | 180.0° |
| C35 | C33 | C37 | H75 | 178.6° | 179.7° |
| C37 | C33 | C35 | C36 | 0.2° | 0.3° |
| C33 | C37 | C38 | H75 | 180.0° | 179.9° |
| C33 | C37 | C38 | C39 | 2.0° | 0.1° |
| C33 | C37 | C38 | N42 | 177.9° | 180.0° |
| C37 | C33 | C35 | H73 | 179.8° | 179.8° |
| C35 | C36 | C39 | H74 | 180.0° | 180.0° |
| C35 | C36 | C39 | C38 | 0.6° | 0.3° |
| C35 | C36 | C39 | N40 | 179.3° | 180.0° |
| C36 | C39 | C38 | C37 | 1.1° | 0.3° |
| C36 | C39 | C38 | N40 | 179.9° | 179.8° |
| C36 | C39 | C38 | N42 | 178.8° | 179.7° |
| C36 | C39 | N40 | N41 | 179.0° | 180.0° |
| C39 | C36 | C35 | H73 | 178.8° | 180.0° |
| C36 | C39 | N40 | H76 | 0.9° | 0.0° |
| C37 | C38 | C39 | N42 | 180.0° | 179.9° |
| C37 | C38 | C39 | N40 | 178.9° | 179.9° |
| C37 | C38 | N42 | N41 | 179.1° | 179.5° |
| C38 | C39 | N40 | N41 | 0.9° | 0.3° |
| C39 | C38 | N42 | N41 | 0.9° | 0.4° |
| C38 | C39 | C36 | H74 | 179.4° | 179.7° |
| C39 | C38 | C37 | H75 | 178.0° | 180.0° |
| C38 | C39 | N40 | H76 | 179.1° | 179.7° |
| N42 | C38 | C39 | N40 | 1.1° | 0.1° |
| C38 | N42 | N41 | N40 | 0.4° | 0.6° |
| N42 | C38 | C37 | H75 | 2.1° | 0.1° |
| C39 | N40 | N41 | H76 | 180.0° | 180.0° |
| C39 | N40 | N41 | N42 | 0.3° | 0.5° |
| N40 | C39 | C36 | H74 | 0.6° | 0.1° |
| N42 | N41 | N40 | H76 | 179.7° | 179.5° |
| H54 | C10 | C6 | H11 | 24.6° | 2.0° |
| H53 | C10 | C6 | H11 | 97.8° | 123.2° |
| H57 | C21 | C22 | H58 | 4.8° | 0.0° |
| H57 | C21 | C22 | H59 | 145.5° | 145.0° |
| H57 | C21 | C23 | H61 | 145.4° | 145.0° |
| H57 | C21 | C23 | H60 | 4.1° | 0.0° |
| H58 | C22 | C23 | H61 | 140.9° | 145.0° |
| H58 | C22 | C23 | H60 | 0.3° | 0.0° |
| H59 | C22 | C23 | H61 | 0.2° | 0.1° |
| H59 | C22 | C23 | H60 | 141.0° | 145.1° |
| H63 | C25 | C26 | H64 | 68.3° | 174.8° |
| H62 | C25 | C26 | H64 | 170.4° | 65.2° |
| H64 | C26 | C27 | H66 | 59.7° | 56.9° |
| H64 | C26 | C27 | H65 | 179.8° | 177.1° |
| H64 | C26 | C31 | H72 | 171.4° | 177.2° |
| H64 | C26 | C31 | H71 | 51.8° | 56.9° |
| H66 | C27 | C28 | H67 | 65.6° | 57.5° |
| H66 | C27 | C28 | H68 | 55.5° | 62.5° |
| H65 | C27 | C28 | H67 | 174.0° | 177.7° |
| H65 | C27 | C28 | H68 | 65.0° | 57.6° |
| H43 | C1 | C2 | H45 | 60.5° | 44.1° |
| H43 | C1 | C2 | H46 | 57.9° | 73.1° |
| H44 | C1 | C2 | H45 | 58.4° | 75.6° |
| H44 | C1 | C2 | H46 | 176.8° | 167.2° |
| H45 | C2 | C6 | H11 | 71.9° | 79.5° |
| H46 | C2 | C6 | H11 | 169.8° | 163.4° |
| H47 | C4 | C5 | H49 | 78.1° | 77.3° |
| H47 | C4 | C5 | H50 | 163.1° | 39.2° |
| H48 | C4 | C5 | H49 | 41.5° | 164.7° |
| H48 | C4 | C5 | H50 | 77.4° | 78.8° |
| H49 | C5 | C7 | H12 | 73.5° | 154.9° |
| H50 | C5 | C7 | H12 | 45.3° | 38.4° |
| H11 | C6 | C7 | H12 | 44.3° | 29.4° |
| H12 | C7 | C8 | H51 | 165.7° | 168.2° |
| H12 | C7 | C8 | H52 | 42.9° | 44.6° |
| H70 | C30 | C31 | H72 | 168.9° | 177.7° |
| H70 | C30 | C31 | H71 | 49.3° | 57.5° |
| H69 | C30 | C31 | H72 | 49.6° | 57.7° |
| H69 | C30 | C31 | H71 | 70.0° | 62.5° |
| H73 | C35 | C36 | H74 | 1.2° | 0.1° |
