YE9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.35Å | 1.49Å | |
| N1 | C35 | sing | 1.47Å | 1.54Å | |
| N1 | C39 | sing | 1.47Å | 1.53Å | |
| C2 | O3 | doub | 1.22Å | 1.25Å | |
| C2 | N4 | sing | 1.35Å | 1.44Å | |
| N4 | C5 | sing | 1.48Å | 1.46Å | |
| N4 | C13 | sing | 1.48Å | 1.49Å | |
| C5 | C6 | sing | 1.55Å | 1.52Å | |
| C6 | C7 | sing | 1.50Å | 1.55Å | |
| C6 | C12 | sing | 1.51Å | 1.55Å | |
| C7 | C8 | sing | 1.52Å | 1.54Å | |
| C8 | N9 | sing | 1.44Å | 1.53Å | |
| N9 | C10 | sing | 1.46Å | 1.46Å | |
| N9 | C15 | sing | 1.35Å | 1.35Å | |
| C10 | C11 | sing | 1.50Å | 1.54Å | |
| C11 | C12 | sing | 1.49Å | 1.56Å | |
| C12 | C13 | sing | 1.54Å | 1.55Å | |
| C15 | C16 | sing | 1.48Å | 1.53Å | |
| C15 | O33 | doub | 1.21Å | 1.26Å | |
| C16 | C17 | doub | 1.40Å | 1.42Å | Aromatic |
| C16 | C32 | sing | 1.40Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.42Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.49Å | |
| C18 | N22 | doub | 1.32Å | 1.34Å | Aromatic |
| C19 | C20 | sing | 1.53Å | 1.49Å | |
| C19 | C21 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| N22 | C23 | sing | 1.32Å | 1.35Å | Aromatic |
| C23 | O24 | sing | 1.36Å | 1.36Å | |
| C23 | C32 | doub | 1.39Å | 1.45Å | Aromatic |
| O24 | C25 | sing | 1.43Å | 1.43Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | C31 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C28 | O29 | sing | 1.43Å | 1.43Å | |
| O29 | C30 | sing | 1.43Å | 1.46Å | |
| C30 | C31 | sing | 1.53Å | 1.58Å | |
| C35 | C36 | sing | 1.51Å | 1.55Å | |
| C36 | C37 | doub | 1.35Å | 1.40Å | Aromatic |
| C36 | O42 | sing | 1.33Å | 1.35Å | Aromatic |
| C37 | C38 | sing | 1.50Å | 1.49Å | |
| C37 | C40 | sing | 1.41Å | 1.46Å | Aromatic |
| C38 | C39 | sing | 1.54Å | 1.57Å | |
| C40 | N41 | doub | 1.31Å | 1.35Å | Aromatic |
| C40 | O43 | sing | 1.36Å | 1.38Å | |
| N41 | O42 | sing | 1.21Å | 1.34Å | Aromatic |
| C10 | H50 | sing | 1.09Å | 1.10Å | |
| C10 | H51 | sing | 1.09Å | 1.10Å | |
| C11 | H52 | sing | 1.09Å | 1.10Å | |
| C11 | H53 | sing | 1.09Å | 1.10Å | |
| C13 | H54 | sing | 1.09Å | 1.10Å | |
| C13 | H55 | sing | 1.09Å | 1.10Å | |
| C17 | H56 | sing | 1.08Å | 1.08Å | |
| C19 | H57 | sing | 1.09Å | 1.10Å | |
| C20 | H59 | sing | 1.09Å | 1.10Å | |
| C20 | H58 | sing | 1.09Å | 1.10Å | |
| C21 | H61 | sing | 1.09Å | 1.10Å | |
| C21 | 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 | |
| C5 | H44 | sing | 1.09Å | 1.10Å | |
| C5 | H45 | sing | 1.09Å | 1.10Å | |
| C6 | H34 | sing | 1.09Å | 1.10Å | |
| C7 | H47 | sing | 1.09Å | 1.10Å | |
| C7 | H46 | sing | 1.09Å | 1.10Å | |
| C8 | H48 | sing | 1.09Å | 1.10Å | |
| C8 | H49 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C30 | H69 | sing | 1.09Å | 1.10Å | |
| C30 | H70 | sing | 1.09Å | 1.10Å | |
| C31 | H72 | sing | 1.09Å | 1.10Å | |
| C31 | H71 | sing | 1.09Å | 1.10Å | |
| C32 | H73 | sing | 1.08Å | 1.08Å | |
| C35 | H74 | sing | 1.09Å | 1.10Å | |
| C35 | H75 | sing | 1.09Å | 1.10Å | |
| C38 | H76 | sing | 1.09Å | 1.10Å | |
| C38 | H77 | sing | 1.09Å | 1.10Å | |
| C39 | H79 | sing | 1.09Å | 1.10Å | |
| C39 | H78 | sing | 1.09Å | 1.10Å | |
| O43 | H80 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C35 | 122.9° | 120.7° |
| C2 | N1 | C39 | 117.6° | 120.7° |
| N1 | C2 | O3 | 121.9° | 120.1° |
| N1 | C2 | N4 | 122.2° | 120.0° |
| C35 | N1 | C39 | 108.5° | 118.6° |
| N1 | C35 | C36 | 105.9° | 107.2° |
| N1 | C35 | H74 | 110.3° | 109.9° |
| N1 | C35 | H75 | 110.4° | 110.0° |
| N1 | C39 | C38 | 112.2° | 108.8° |
| N1 | C39 | H79 | 108.8° | 109.5° |
| N1 | C39 | H78 | 108.8° | 109.5° |
| O3 | C2 | N4 | 115.8° | 119.9° |
| C2 | N4 | C5 | 125.2° | 127.0° |
| C2 | N4 | C13 | 119.5° | 127.0° |
| C5 | N4 | C13 | 106.7° | 106.1° |
| N4 | C5 | C6 | 103.6° | 106.9° |
| N4 | C5 | H44 | 110.9° | 109.9° |
| N4 | C5 | H45 | 110.9° | 110.0° |
| N4 | C13 | C12 | 104.0° | 102.4° |
| N4 | C13 | H54 | 110.8° | 110.8° |
| N4 | C13 | H55 | 110.8° | 111.0° |
| C5 | C6 | C7 | 105.9° | 108.8° |
| C5 | C6 | C12 | 102.4° | 104.6° |
| C6 | C5 | H44 | 110.9° | 110.0° |
| C6 | C5 | H45 | 110.9° | 110.0° |
| C5 | C6 | H34 | 110.4° | 109.2° |
| C7 | C6 | C12 | 117.8° | 116.1° |
| C6 | C7 | C8 | 114.2° | 114.9° |
| C7 | C6 | H34 | 110.0° | 109.3° |
| C6 | C7 | H47 | 108.3° | 108.4° |
| C6 | C7 | H46 | 108.3° | 108.4° |
| C6 | C12 | C11 | 120.3° | 119.9° |
| C6 | C12 | C13 | 106.0° | 104.3° |
| C12 | C6 | H34 | 109.9° | 108.7° |
| C6 | C12 | H14 | 105.7° | 106.5° |
| C7 | C8 | N9 | 113.8° | 110.2° |
| C8 | C7 | H47 | 108.3° | 108.4° |
| C8 | C7 | H46 | 108.3° | 108.4° |
| C7 | C8 | H48 | 108.4° | 109.4° |
| C7 | C8 | H49 | 108.4° | 109.4° |
| C8 | N9 | C10 | 120.0° | 121.3° |
| C8 | N9 | C15 | 118.1° | 119.3° |
| N9 | C8 | H48 | 108.4° | 109.3° |
| N9 | C8 | H49 | 108.4° | 109.4° |
| C10 | N9 | C15 | 120.1° | 119.4° |
| N9 | C10 | C11 | 114.1° | 113.3° |
| N9 | C10 | H50 | 108.3° | 108.7° |
| N9 | C10 | H51 | 108.3° | 108.6° |
| N9 | C15 | C16 | 118.4° | 120.0° |
| N9 | C15 | O33 | 119.7° | 120.0° |
| C10 | C11 | C12 | 124.7° | 116.5° |
| C11 | C10 | H50 | 108.3° | 108.7° |
| C11 | C10 | H51 | 108.3° | 108.7° |
| C10 | C11 | H52 | 105.5° | 108.1° |
| C10 | C11 | H53 | 105.5° | 108.0° |
| C11 | C12 | C13 | 112.6° | 112.9° |
| C12 | C11 | H52 | 105.5° | 108.0° |
| C12 | C11 | H53 | 105.5° | 108.0° |
| C11 | C12 | H14 | 105.6° | 106.8° |
| C12 | C13 | H54 | 110.8° | 110.8° |
| C12 | C13 | H55 | 110.8° | 110.8° |
| C13 | C12 | H14 | 105.8° | 105.5° |
| C16 | C15 | O33 | 121.8° | 120.1° |
| C15 | C16 | C17 | 120.6° | 120.9° |
| C15 | C16 | C32 | 118.2° | 120.9° |
| C17 | C16 | C32 | 121.2° | 118.2° |
| C16 | C17 | C18 | 118.1° | 119.1° |
| C16 | C17 | H56 | 121.0° | 120.4° |
| C16 | C32 | C23 | 114.7° | 119.0° |
| C16 | C32 | H73 | 122.7° | 120.5° |
| C17 | C18 | C19 | 123.8° | 119.5° |
| C17 | C18 | N22 | 122.8° | 121.0° |
| C18 | C17 | H56 | 121.0° | 120.5° |
| C19 | C18 | N22 | 113.3° | 119.5° |
| C18 | C19 | C20 | 118.4° | 117.5° |
| C18 | C19 | C21 | 118.6° | 117.5° |
| C18 | C19 | H57 | 116.2° | 115.6° |
| C18 | N22 | C23 | 118.6° | 122.0° |
| C20 | C19 | C21 | 60.7° | 60.0° |
| C19 | C20 | C21 | 61.1° | 60.0° |
| C20 | C19 | H57 | 116.1° | 117.5° |
| C19 | C20 | H59 | 119.8° | 117.5° |
| C19 | C20 | H58 | 119.8° | 117.5° |
| C19 | C21 | C20 | 58.1° | 60.0° |
| C21 | C19 | H57 | 115.3° | 117.5° |
| C19 | C21 | H61 | 120.3° | 117.5° |
| C19 | C21 | H60 | 120.3° | 117.5° |
| C21 | C20 | H59 | 119.8° | 117.5° |
| C21 | C20 | H58 | 119.8° | 117.5° |
| C20 | C21 | H61 | 120.3° | 117.5° |
| C20 | C21 | H60 | 120.3° | 117.5° |
| N22 | C23 | O24 | 117.5° | 119.6° |
| N22 | C23 | C32 | 124.6° | 120.8° |
| O24 | C23 | C32 | 117.8° | 119.7° |
| C23 | O24 | C25 | 119.9° | 117.0° |
| C23 | C32 | H73 | 122.7° | 120.6° |
| O24 | C25 | C26 | 106.6° | 109.5° |
| O24 | C25 | H63 | 110.2° | 109.5° |
| O24 | C25 | H62 | 110.2° | 109.5° |
| C25 | C26 | C27 | 106.2° | 109.6° |
| C25 | C26 | C31 | 111.0° | 109.6° |
| C26 | C25 | H63 | 110.2° | 109.4° |
| C26 | C25 | H62 | 110.2° | 109.5° |
| C25 | C26 | H64 | 111.3° | 109.5° |
| C27 | C26 | C31 | 105.2° | 109.1° |
| C26 | C27 | C28 | 106.0° | 109.1° |
| C27 | C26 | H64 | 111.4° | 109.5° |
| C26 | C27 | H66 | 110.3° | 109.5° |
| C26 | C27 | H65 | 110.3° | 109.5° |
| C26 | C31 | C30 | 113.6° | 109.2° |
| C31 | C26 | H64 | 111.5° | 109.6° |
| C26 | C31 | H72 | 108.4° | 109.5° |
| C26 | C31 | H71 | 108.4° | 109.5° |
| C27 | C28 | O29 | 104.5° | 109.5° |
| C28 | C27 | H66 | 110.3° | 109.6° |
| C28 | C27 | H65 | 110.3° | 109.5° |
| C27 | C28 | H67 | 110.7° | 109.5° |
| C27 | C28 | H68 | 110.7° | 109.5° |
| C28 | O29 | C30 | 120.7° | 114.1° |
| O29 | C28 | H67 | 110.7° | 109.5° |
| O29 | C28 | H68 | 110.7° | 109.5° |
| O29 | C30 | C31 | 115.1° | 109.5° |
| O29 | C30 | H69 | 108.0° | 109.5° |
| O29 | C30 | H70 | 108.0° | 109.5° |
| C31 | C30 | H69 | 108.1° | 109.5° |
| C31 | C30 | H70 | 108.1° | 109.5° |
| C30 | C31 | H72 | 108.4° | 109.6° |
| C30 | C31 | H71 | 108.4° | 109.6° |
| C35 | C36 | C37 | 126.8° | 123.5° |
| C35 | C36 | O42 | 125.5° | 129.8° |
| C36 | C35 | H74 | 110.4° | 109.9° |
| C36 | C35 | H75 | 110.4° | 109.9° |
| C37 | C36 | O42 | 107.6° | 106.7° |
| C36 | C37 | C38 | 122.5° | 125.3° |
| C36 | C37 | C40 | 104.8° | 104.4° |
| C36 | O42 | N41 | 111.6° | 111.4° |
| C38 | C37 | C40 | 132.7° | 130.2° |
| C37 | C38 | C39 | 106.9° | 108.6° |
| C37 | C38 | H76 | 110.1° | 109.6° |
| C37 | C38 | H77 | 110.1° | 109.6° |
| C37 | C40 | N41 | 107.5° | 105.9° |
| C37 | C40 | O43 | 125.9° | 127.0° |
| C39 | C38 | H76 | 110.1° | 109.7° |
| C39 | C38 | H77 | 110.1° | 109.5° |
| C38 | C39 | H79 | 108.8° | 109.7° |
| C38 | C39 | H78 | 108.7° | 109.7° |
| N41 | C40 | O43 | 126.5° | 127.1° |
| C40 | N41 | O42 | 108.4° | 111.6° |
| C40 | O43 | H80 | 109.5° | 114.0° |
| H50 | C10 | H51 | 109.5° | 108.7° |
| H52 | C11 | H53 | 109.5° | 107.9° |
| H54 | C13 | H55 | 109.5° | 110.7° |
| H59 | C20 | H58 | 109.5° | 115.5° |
| H61 | C21 | H60 | 109.4° | 115.6° |
| H63 | C25 | H62 | 109.4° | 109.5° |
| H66 | C27 | H65 | 109.5° | 109.5° |
| H67 | C28 | H68 | 109.5° | 109.4° |
| H44 | C5 | H45 | 109.5° | 110.0° |
| H47 | C7 | H46 | 109.5° | 108.2° |
| H48 | C8 | H49 | 109.4° | 109.2° |
| H69 | C30 | H70 | 109.5° | 109.4° |
| H72 | C31 | H71 | 109.5° | 109.6° |
| H74 | C35 | H75 | 109.5° | 110.0° |
| H76 | C38 | H77 | 109.4° | 109.8° |
| H79 | C39 | H78 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C35 | C39 | 142.9° | 179.7° |
| N1 | C2 | O3 | N4 | 177.8° | 180.0° |
| N1 | C2 | N4 | C5 | 156.3° | 170.1° |
| N1 | C2 | N4 | C13 | 12.9° | 9.9° |
| C2 | N1 | C35 | C36 | 169.3° | 135.6° |
| C2 | N1 | C39 | C38 | 141.6° | 115.9° |
| C2 | N1 | C35 | H74 | 71.3° | 16.2° |
| C2 | N1 | C35 | H75 | 49.8° | 105.0° |
| C2 | N1 | C39 | H79 | 21.1° | 124.2° |
| C2 | N1 | C39 | H78 | 98.0° | 4.0° |
| C35 | N1 | C2 | O3 | 36.1° | 172.9° |
| C35 | N1 | C2 | N4 | 146.2° | 7.1° |
| N1 | C35 | C36 | H74 | 119.4° | 119.4° |
| N1 | C35 | C36 | H75 | 119.4° | 119.4° |
| N1 | C35 | C36 | C37 | 10.8° | 11.3° |
| N1 | C35 | C36 | O42 | 164.0° | 168.6° |
| C35 | N1 | C39 | C38 | 73.3° | 64.4° |
| N1 | C35 | H74 | H75 | 121.7° | 121.2° |
| C35 | N1 | C39 | H79 | 166.3° | 55.5° |
| C35 | N1 | C39 | H78 | 47.2° | 175.7° |
| C39 | N1 | C2 | O3 | 103.7° | 7.4° |
| C39 | N1 | C2 | N4 | 73.9° | 172.6° |
| C39 | N1 | C35 | C36 | 47.8° | 44.7° |
| N1 | C39 | C38 | C37 | 50.4° | 44.7° |
| N1 | C39 | C38 | H79 | 120.4° | 119.8° |
| N1 | C39 | C38 | H78 | 120.4° | 119.8° |
| C39 | N1 | C35 | H74 | 71.6° | 164.1° |
| C39 | N1 | C35 | H75 | 167.2° | 74.7° |
| N1 | C39 | C38 | H76 | 170.0° | 75.1° |
| N1 | C39 | C38 | H77 | 69.2° | 164.4° |
| N1 | C39 | H79 | H78 | 118.8° | 120.2° |
| O3 | C2 | N4 | C5 | 21.5° | 9.9° |
| O3 | C2 | N4 | C13 | 164.9° | 170.0° |
| C2 | N4 | C5 | C13 | 147.2° | 180.0° |
| C2 | N4 | C5 | C6 | 170.2° | 156.5° |
| C2 | N4 | C13 | C12 | 178.4° | 141.9° |
| C2 | N4 | C13 | H54 | 59.3° | 23.6° |
| C2 | N4 | C13 | H55 | 62.4° | 99.8° |
| C2 | N4 | C5 | H44 | 51.2° | 84.1° |
| C2 | N4 | C5 | H45 | 70.7° | 37.2° |
| N4 | C5 | C6 | H44 | 119.0° | 119.3° |
| N4 | C5 | C6 | H45 | 119.0° | 119.4° |
| N4 | C5 | C6 | C7 | 86.4° | 123.5° |
| N4 | C5 | C6 | C12 | 37.6° | 1.2° |
| C5 | N4 | C13 | C12 | 29.0° | 38.1° |
| C5 | N4 | C13 | H54 | 90.2° | 156.3° |
| C5 | N4 | C13 | H55 | 148.1° | 80.2° |
| N4 | C5 | H44 | H45 | 122.7° | 121.3° |
| N4 | C5 | C6 | H34 | 154.6° | 117.4° |
| C13 | N4 | C5 | C6 | 42.6° | 23.4° |
| N4 | C13 | C12 | C6 | 4.5° | 38.4° |
| N4 | C13 | C12 | C11 | 128.8° | 170.2° |
| N4 | C13 | C12 | H54 | 119.2° | 118.2° |
| N4 | C13 | C12 | H55 | 119.1° | 118.5° |
| N4 | C13 | H54 | H55 | 122.5° | 123.6° |
| C13 | N4 | C5 | H44 | 161.6° | 95.9° |
| C13 | N4 | C5 | H45 | 76.5° | 142.8° |
| N4 | C13 | C12 | H14 | 116.4° | 73.6° |
| C5 | C6 | C7 | C12 | 113.7° | 117.6° |
| C5 | C6 | C7 | H34 | 119.3° | 119.1° |
| C5 | C6 | C12 | H34 | 117.3° | 116.5° |
| C5 | C6 | C7 | C8 | 165.3° | 161.0° |
| C5 | C6 | C12 | C11 | 148.8° | 151.7° |
| C5 | C6 | C12 | C13 | 19.9° | 24.1° |
| C6 | C5 | H44 | H45 | 122.8° | 121.4° |
| C5 | C6 | C7 | H47 | 74.1° | 77.6° |
| C5 | C6 | C7 | H46 | 44.5° | 39.6° |
| C5 | C6 | C12 | H14 | 92.1° | 87.2° |
| C7 | C6 | C12 | H34 | 127.0° | 123.6° |
| C6 | C7 | C8 | H47 | 120.7° | 121.4° |
| C6 | C7 | C8 | H46 | 120.7° | 121.5° |
| C6 | C7 | C8 | N9 | 59.6° | 74.4° |
| C7 | C6 | C12 | C11 | 33.1° | 31.8° |
| C7 | C6 | C12 | C13 | 95.8° | 95.7° |
| C7 | C6 | C5 | H44 | 32.7° | 4.2° |
| C7 | C6 | C5 | H45 | 154.6° | 117.1° |
| C6 | C7 | H47 | H46 | 117.8° | 117.4° |
| C6 | C7 | C8 | H48 | 179.7° | 165.4° |
| C6 | C7 | C8 | H49 | 61.1° | 45.8° |
| C7 | C6 | C12 | H14 | 152.2° | 153.0° |
| C12 | C6 | C7 | C8 | 81.0° | 81.4° |
| C6 | C12 | C11 | C10 | 14.9° | 37.8° |
| C6 | C12 | C11 | C13 | 125.9° | 123.5° |
| C6 | C12 | C11 | H14 | 119.1° | 121.1° |
| C6 | C12 | C13 | H14 | 111.9° | 112.1° |
| C6 | C12 | C11 | H52 | 137.0° | 84.0° |
| C6 | C12 | C11 | H53 | 107.1° | 159.5° |
| C6 | C12 | C13 | H54 | 114.7° | 156.6° |
| C6 | C12 | C13 | H55 | 123.6° | 80.0° |
| C12 | C6 | C5 | H44 | 156.7° | 120.4° |
| C12 | C6 | C5 | H45 | 81.4° | 118.2° |
| C12 | C6 | C7 | H47 | 39.6° | 40.0° |
| C12 | C6 | C7 | H46 | 158.2° | 157.2° |
| C7 | C8 | N9 | H48 | 120.7° | 120.2° |
| C7 | C8 | N9 | H49 | 120.7° | 120.2° |
| C7 | C8 | N9 | C10 | 24.7° | 62.1° |
| C7 | C8 | N9 | C15 | 170.6° | 117.9° |
| C8 | C7 | C6 | H34 | 46.0° | 42.0° |
| C8 | C7 | H47 | H46 | 117.9° | 117.3° |
| C7 | C8 | H48 | H49 | 118.0° | 119.6° |
| C8 | N9 | C10 | C15 | 164.3° | 180.0° |
| C8 | N9 | C10 | C11 | 80.1° | 74.4° |
| C8 | N9 | C15 | C16 | 177.5° | 176.0° |
| C8 | N9 | C15 | O33 | 3.3° | 4.0° |
| C8 | N9 | C10 | H50 | 40.5° | 46.6° |
| C8 | N9 | C10 | H51 | 159.2° | 164.7° |
| N9 | C8 | C7 | H47 | 61.1° | 47.0° |
| N9 | C8 | C7 | H46 | 179.7° | 164.2° |
| N9 | C8 | H48 | H49 | 118.0° | 119.6° |
| N9 | C10 | C11 | H50 | 120.7° | 121.0° |
| N9 | C10 | C11 | H51 | 120.7° | 120.9° |
| N9 | C10 | C11 | C12 | 52.7° | 78.1° |
| C10 | N9 | C15 | C16 | 17.9° | 4.0° |
| C10 | N9 | C15 | O33 | 161.3° | 176.0° |
| N9 | C10 | H50 | H51 | 117.9° | 118.1° |
| N9 | C10 | C11 | H52 | 174.8° | 43.7° |
| N9 | C10 | C11 | H53 | 69.3° | 160.2° |
| C10 | N9 | C8 | H48 | 96.0° | 177.7° |
| C10 | N9 | C8 | H49 | 145.4° | 58.1° |
| C15 | N9 | C10 | C11 | 115.5° | 105.6° |
| N9 | C15 | C16 | O33 | 179.1° | 179.9° |
| N9 | C15 | C16 | C17 | 64.8° | 138.1° |
| N9 | C15 | C16 | C32 | 116.6° | 41.6° |
| C15 | N9 | C10 | H50 | 123.8° | 133.4° |
| C15 | N9 | C10 | H51 | 5.2° | 15.3° |
| C15 | N9 | C8 | H48 | 68.7° | 2.3° |
| C15 | N9 | C8 | H49 | 50.0° | 121.9° |
| C10 | C11 | C12 | H52 | 122.1° | 121.8° |
| C10 | C11 | C12 | H53 | 122.0° | 121.8° |
| C10 | C11 | C12 | C13 | 111.0° | 161.2° |
| C11 | C10 | H50 | H51 | 117.9° | 118.2° |
| C10 | C11 | H52 | H53 | 113.1° | 116.6° |
| C10 | C11 | C12 | H14 | 134.1° | 83.3° |
| C11 | C12 | C13 | H14 | 114.8° | 116.2° |
| C12 | C11 | C10 | H50 | 68.0° | 42.9° |
| C12 | C11 | C10 | H51 | 173.4° | 161.1° |
| C12 | C11 | H52 | H53 | 113.2° | 116.6° |
| C11 | C12 | C13 | H54 | 112.0° | 71.6° |
| C11 | C12 | C13 | H55 | 9.7° | 51.7° |
| C11 | C12 | C6 | H34 | 93.9° | 91.8° |
| C13 | C12 | C11 | H52 | 11.1° | 39.4° |
| C13 | C12 | C11 | H53 | 126.9° | 77.0° |
| C12 | C13 | H54 | H55 | 122.5° | 123.4° |
| C13 | C12 | C6 | H34 | 137.1° | 140.6° |
| C15 | C16 | C17 | C32 | 178.6° | 179.7° |
| C15 | C16 | C17 | C18 | 177.9° | 180.0° |
| C15 | C16 | C32 | C23 | 177.9° | 179.7° |
| C15 | C16 | C17 | H56 | 2.1° | 0.0° |
| C15 | C16 | C32 | H73 | 2.1° | 0.0° |
| O33 | C15 | C16 | C17 | 116.1° | 41.9° |
| O33 | C15 | C16 | C32 | 62.6° | 138.3° |
| C16 | C17 | C18 | H56 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 176.1° | 180.0° |
| C16 | C17 | C18 | N22 | 0.2° | 0.0° |
| C17 | C16 | C32 | C23 | 0.8° | 0.5° |
| C17 | C16 | C32 | H73 | 179.3° | 179.8° |
| C32 | C16 | C17 | C18 | 0.7° | 0.3° |
| C16 | C32 | C23 | N22 | 0.1° | 0.5° |
| C16 | C32 | C23 | O24 | 175.8° | 180.0° |
| C16 | C32 | C23 | H73 | 180.0° | 179.7° |
| C32 | C16 | C17 | H56 | 179.3° | 179.7° |
| C17 | C18 | C19 | N22 | 176.3° | 180.0° |
| C17 | C18 | C19 | C20 | 154.2° | 85.0° |
| C17 | C18 | C19 | C21 | 135.6° | 16.4° |
| C17 | C18 | N22 | C23 | 1.0° | 0.0° |
| C17 | C18 | C19 | H57 | 8.6° | 129.3° |
| C18 | C19 | C20 | C21 | 108.7° | 107.5° |
| C18 | C19 | C20 | H57 | 145.6° | 145.0° |
| C18 | C19 | C21 | H57 | 144.5° | 145.1° |
| C19 | C18 | N22 | C23 | 177.4° | 180.0° |
| C19 | C18 | C17 | H56 | 3.9° | 0.0° |
| C18 | C19 | C20 | H59 | 141.5° | 145.0° |
| C18 | C19 | C20 | H58 | 1.1° | 0.0° |
| C18 | C19 | C21 | H61 | 0.5° | 0.0° |
| C18 | C19 | C21 | H60 | 142.6° | 145.0° |
| N22 | C18 | C19 | C20 | 29.5° | 95.1° |
| N22 | C18 | C19 | C21 | 40.7° | 163.6° |
| C18 | N22 | C23 | O24 | 174.9° | 179.8° |
| C18 | N22 | C23 | C32 | 1.0° | 0.3° |
| N22 | C18 | C17 | H56 | 179.8° | 180.0° |
| N22 | C18 | C19 | H57 | 175.1° | 50.6° |
| C20 | C19 | C21 | H57 | 107.1° | 107.5° |
| C19 | C20 | C21 | H59 | 109.8° | 107.5° |
| C19 | C20 | C21 | H58 | 109.8° | 107.5° |
| C19 | C20 | H59 | H58 | 144.1° | 145.7° |
| C20 | C19 | C21 | H61 | 109.0° | 107.5° |
| C20 | C19 | C21 | H60 | 109.0° | 107.6° |
| C19 | C21 | H61 | H60 | 145.7° | 145.6° |
| C21 | C20 | H59 | H58 | 144.1° | 145.6° |
| C20 | C21 | H61 | H60 | 145.7° | 145.8° |
| N22 | C23 | O24 | C32 | 176.2° | 179.5° |
| N22 | C23 | O24 | C25 | 5.6° | 0.5° |
| N22 | C23 | C32 | H73 | 179.9° | 179.8° |
| C23 | O24 | C25 | C26 | 176.8° | 179.9° |
| C23 | O24 | C25 | H63 | 57.3° | 60.0° |
| C23 | O24 | C25 | H62 | 63.6° | 60.0° |
| O24 | C23 | C32 | H73 | 4.2° | 0.2° |
| C32 | C23 | O24 | C25 | 178.2° | 180.0° |
| O24 | C25 | C26 | H63 | 119.5° | 120.0° |
| O24 | C25 | C26 | H62 | 119.6° | 120.0° |
| O24 | C25 | C26 | C27 | 173.7° | 175.0° |
| O24 | C25 | C26 | C31 | 72.4° | 65.4° |
| O24 | C25 | H63 | H62 | 121.3° | 120.0° |
| O24 | C25 | C26 | H64 | 52.4° | 54.8° |
| C25 | C26 | C27 | C31 | 117.8° | 119.9° |
| C25 | C26 | C27 | H64 | 121.3° | 120.1° |
| C25 | C26 | C31 | H64 | 124.7° | 120.2° |
| C25 | C26 | C27 | C28 | 168.9° | 176.9° |
| C25 | C26 | C31 | C30 | 162.7° | 176.9° |
| C26 | C25 | H63 | H62 | 121.3° | 120.0° |
| C25 | C26 | C27 | H66 | 49.4° | 63.2° |
| C25 | C26 | C27 | H65 | 71.7° | 56.9° |
| C25 | C26 | C31 | H72 | 42.1° | 57.0° |
| C25 | C26 | C31 | H71 | 76.7° | 63.2° |
| C27 | C26 | C31 | H64 | 120.9° | 119.9° |
| C26 | C27 | C28 | H66 | 119.5° | 119.9° |
| C26 | C27 | C28 | H65 | 119.5° | 119.9° |
| C26 | C27 | C28 | O29 | 73.3° | 57.6° |
| C27 | C26 | C31 | C30 | 48.3° | 57.0° |
| C27 | C26 | C25 | H63 | 54.2° | 65.0° |
| C27 | C26 | C25 | H62 | 66.7° | 54.9° |
| C26 | C27 | H66 | H65 | 121.6° | 120.1° |
| C26 | C27 | C28 | H67 | 45.9° | 62.4° |
| C26 | C27 | C28 | H68 | 167.5° | 177.6° |
| C27 | C26 | C31 | H72 | 72.3° | 63.0° |
| C27 | C26 | C31 | H71 | 168.9° | 176.9° |
| C31 | C26 | C27 | C28 | 73.4° | 56.9° |
| C26 | C31 | C30 | O29 | 26.3° | 57.6° |
| C26 | C31 | C30 | H72 | 120.6° | 119.9° |
| C26 | C31 | C30 | H71 | 120.6° | 119.9° |
| C31 | C26 | C25 | H63 | 168.0° | 54.6° |
| C31 | C26 | C25 | H62 | 47.2° | 174.5° |
| C31 | C26 | C27 | H66 | 167.2° | 176.9° |
| C31 | C26 | C27 | H65 | 46.1° | 63.0° |
| C26 | C31 | C30 | H69 | 94.5° | 62.4° |
| C26 | C31 | C30 | H70 | 147.2° | 177.6° |
| C26 | C31 | H72 | H71 | 118.1° | 120.1° |
| C27 | C28 | O29 | H67 | 119.2° | 120.0° |
| C27 | C28 | O29 | H68 | 119.2° | 120.0° |
| C27 | C28 | O29 | C30 | 50.9° | 61.1° |
| C28 | C27 | C26 | H64 | 47.6° | 63.0° |
| C28 | C27 | H66 | H65 | 121.6° | 120.2° |
| C27 | C28 | H67 | H68 | 122.3° | 120.0° |
| C28 | O29 | C30 | C31 | 28.7° | 61.1° |
| O29 | C28 | C27 | H66 | 167.3° | 177.5° |
| O29 | C28 | C27 | H65 | 46.2° | 62.3° |
| O29 | C28 | H67 | H68 | 122.3° | 120.0° |
| C28 | O29 | C30 | H69 | 92.2° | 58.9° |
| C28 | O29 | C30 | H70 | 149.5° | 178.9° |
| O29 | C30 | C31 | H69 | 120.8° | 120.0° |
| O29 | C30 | C31 | H70 | 120.8° | 120.0° |
| C30 | O29 | C28 | H67 | 68.3° | 58.9° |
| C30 | O29 | C28 | H68 | 170.2° | 178.8° |
| O29 | C30 | H69 | H70 | 117.4° | 120.0° |
| O29 | C30 | C31 | H72 | 94.3° | 62.3° |
| O29 | C30 | C31 | H71 | 146.9° | 177.5° |
| C30 | C31 | C26 | H64 | 72.6° | 62.9° |
| C31 | C30 | H69 | H70 | 117.5° | 120.0° |
| C30 | C31 | H72 | H71 | 118.1° | 120.2° |
| C35 | C36 | C37 | O42 | 175.6° | 180.0° |
| C35 | C36 | C37 | C38 | 8.5° | 0.2° |
| C35 | C36 | C37 | C40 | 173.5° | 179.9° |
| C35 | C36 | O42 | N41 | 174.5° | 179.8° |
| C36 | C35 | H74 | H75 | 121.7° | 121.1° |
| C36 | C37 | C38 | C40 | 177.3° | 179.9° |
| C36 | C37 | C38 | C39 | 10.7° | 17.4° |
| C36 | C37 | C40 | N41 | 2.3° | 0.1° |
| C36 | C37 | C40 | O43 | 173.8° | 179.9° |
| C37 | C36 | O42 | N41 | 1.2° | 0.2° |
| C37 | C36 | C35 | H74 | 108.6° | 130.7° |
| C37 | C36 | C35 | H75 | 130.3° | 108.1° |
| C36 | C37 | C38 | H76 | 130.3° | 102.4° |
| C36 | C37 | C38 | H77 | 108.9° | 137.0° |
| O42 | C36 | C37 | C38 | 175.9° | 179.7° |
| O42 | C36 | C37 | C40 | 2.1° | 0.2° |
| C36 | O42 | N41 | C40 | 0.3° | 0.2° |
| O42 | C36 | C35 | H74 | 76.6° | 49.2° |
| O42 | C36 | C35 | H75 | 44.6° | 71.9° |
| C37 | C38 | C39 | H76 | 119.6° | 119.8° |
| C37 | C38 | C39 | H77 | 119.6° | 119.6° |
| C38 | C37 | C40 | N41 | 175.4° | 179.8° |
| C38 | C37 | C40 | O43 | 8.6° | 0.2° |
| C37 | C38 | H76 | H77 | 121.2° | 120.4° |
| C37 | C38 | C39 | H79 | 170.8° | 75.1° |
| C37 | C38 | C39 | H78 | 70.0° | 164.6° |
| C40 | C37 | C38 | C39 | 166.6° | 162.7° |
| C37 | C40 | N41 | O43 | 176.0° | 180.0° |
| C37 | C40 | N41 | O42 | 1.6° | 0.0° |
| C40 | C37 | C38 | H76 | 47.0° | 77.5° |
| C40 | C37 | C38 | H77 | 73.8° | 43.1° |
| C37 | C40 | O43 | H80 | 175.3° | 90.0° |
| C39 | C38 | H76 | H77 | 121.2° | 120.3° |
| C38 | C39 | H79 | H78 | 118.7° | 120.4° |
| N41 | C40 | O43 | H80 | 0.0° | 90.0° |
| O43 | C40 | N41 | O42 | 174.4° | 180.0° |
| H50 | C10 | C11 | H52 | 54.1° | 164.7° |
| H50 | C10 | C11 | H53 | 170.0° | 78.9° |
| H51 | C10 | C11 | H52 | 64.5° | 77.2° |
| H51 | C10 | C11 | H53 | 51.3° | 39.3° |
| H52 | C11 | C12 | H14 | 103.8° | 154.9° |
| H53 | C11 | C12 | H14 | 12.0° | 38.5° |
| H54 | C13 | C12 | H14 | 2.8° | 44.6° |
| H55 | C13 | C12 | H14 | 124.5° | 167.9° |
| H57 | C19 | C20 | H59 | 4.1° | 0.0° |
| H57 | C19 | C20 | H58 | 144.5° | 145.0° |
| H57 | C19 | C21 | H61 | 144.0° | 145.1° |
| H57 | C19 | C21 | H60 | 1.9° | 0.1° |
| H59 | C20 | C21 | H61 | 141.3° | 145.0° |
| H59 | C20 | C21 | H60 | 0.8° | 0.1° |
| H58 | C20 | C21 | H61 | 0.8° | 0.1° |
| H58 | C20 | C21 | H60 | 141.2° | 145.0° |
| H63 | C25 | C26 | H64 | 67.1° | 174.8° |
| H62 | C25 | C26 | H64 | 172.0° | 65.2° |
| H64 | C26 | C27 | H66 | 71.9° | 56.9° |
| H64 | C26 | C27 | H65 | 167.0° | 177.1° |
| H64 | C26 | C31 | H72 | 166.8° | 177.1° |
| H64 | C26 | C31 | H71 | 48.0° | 57.0° |
| H66 | C27 | C28 | H67 | 73.5° | 57.5° |
| H66 | C27 | C28 | H68 | 48.1° | 62.5° |
| H65 | C27 | C28 | H67 | 165.4° | 177.7° |
| H65 | C27 | C28 | H68 | 73.0° | 57.7° |
| H44 | C5 | C6 | H34 | 86.4° | 123.4° |
| H45 | C5 | C6 | H34 | 35.5° | 2.0° |
| H34 | C6 | C7 | H47 | 166.6° | 163.3° |
| H34 | C6 | C7 | H46 | 74.8° | 79.5° |
| H34 | C6 | C12 | H14 | 25.2° | 29.3° |
| H47 | C7 | C8 | H48 | 59.6° | 73.2° |
| H47 | C7 | C8 | H49 | 178.3° | 167.2° |
| H46 | C7 | C8 | H48 | 59.1° | 43.9° |
| H46 | C7 | C8 | H49 | 59.6° | 75.6° |
| H69 | C30 | C31 | H72 | 144.9° | 177.7° |
| H69 | C30 | C31 | H71 | 26.1° | 57.5° |
| H70 | C30 | C31 | H72 | 26.6° | 57.7° |
| H70 | C30 | C31 | H71 | 92.2° | 62.5° |
| H76 | C38 | C39 | H79 | 69.5° | 165.1° |
| H76 | C38 | C39 | H78 | 49.6° | 44.7° |
| H77 | C38 | C39 | H79 | 51.2° | 44.6° |
| H77 | C38 | C39 | H78 | 170.4° | 75.8° |
