Y0Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.47Å | 1.49Å | |
| N1 | C5 | sing | 1.47Å | 1.50Å | |
| N1 | C26 | sing | 1.35Å | 1.38Å | |
| C2 | C3 | sing | 1.54Å | 1.51Å | |
| C3 | C4 | sing | 1.55Å | 1.59Å | |
| C3 | C6 | sing | 1.53Å | 1.55Å | |
| C4 | C5 | sing | 1.54Å | 1.52Å | |
| C4 | C7 | sing | 1.54Å | 1.59Å | |
| C6 | C7 | sing | 1.55Å | 1.56Å | |
| C6 | C8 | sing | 1.54Å | 1.53Å | |
| C7 | C10 | sing | 1.54Å | 1.57Å | |
| C8 | N9 | sing | 1.47Å | 1.50Å | |
| N9 | C10 | sing | 1.47Å | 1.50Å | |
| N9 | C15 | sing | 1.35Å | 1.42Å | |
| C15 | C16 | sing | 1.48Å | 1.46Å | |
| C15 | O17 | doub | 1.22Å | 1.26Å | |
| C16 | C18 | doub | 1.40Å | 1.46Å | Aromatic |
| C16 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.36Å | 1.42Å | Aromatic |
| C19 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.40Å | 1.44Å | Aromatic |
| C21 | C22 | sing | 1.41Å | 1.45Å | Aromatic |
| C21 | N25 | sing | 1.35Å | 1.42Å | Aromatic |
| C22 | N23 | sing | 1.37Å | 1.39Å | Aromatic |
| N23 | N24 | sing | 1.40Å | 1.39Å | Aromatic |
| N24 | N25 | doub | 1.29Å | 1.26Å | Aromatic |
| C26 | C27 | sing | 1.48Å | 1.49Å | |
| C26 | O28 | doub | 1.22Å | 1.27Å | |
| C27 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | N31 | sing | 1.33Å | 1.35Å | Aromatic |
| C29 | C30 | sing | 1.39Å | 1.38Å | Aromatic |
| C30 | C33 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | O34 | sing | 1.36Å | 1.32Å | |
| N31 | C32 | doub | 1.32Å | 1.35Å | Aromatic |
| C32 | C33 | sing | 1.39Å | 1.40Å | Aromatic |
| C33 | CL37 | sing | 1.74Å | 1.72Å | |
| O34 | C35 | sing | 1.43Å | 1.42Å | |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| C36 | C38 | sing | 1.53Å | 1.53Å | |
| C36 | C39 | sing | 1.53Å | 1.53Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C10 | H47 | sing | 1.09Å | 1.10Å | |
| C10 | H46 | sing | 1.09Å | 1.10Å | |
| C18 | H48 | sing | 1.08Å | 1.08Å | |
| C19 | H49 | sing | 1.08Å | 1.08Å | |
| C20 | H50 | sing | 1.08Å | 1.08Å | |
| C2 | H40 | sing | 1.09Å | 1.10Å | |
| C2 | H41 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | H43 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H44 | sing | 1.09Å | 1.10Å | |
| C8 | H45 | sing | 1.09Å | 1.10Å | |
| N23 | H51 | sing | 0.97Å | 1.00Å | |
| C29 | H52 | sing | 1.08Å | 1.08Å | |
| C32 | H53 | sing | 1.08Å | 1.08Å | |
| C35 | H54 | sing | 1.09Å | 1.10Å | |
| C35 | H55 | sing | 1.09Å | 1.10Å | |
| C36 | H56 | sing | 1.09Å | 1.10Å | |
| C38 | H58 | sing | 1.09Å | 1.10Å | |
| C38 | H57 | sing | 1.09Å | 1.10Å | |
| C39 | H59 | sing | 1.09Å | 1.10Å | |
| C39 | H60 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C5 | 114.6° | 109.4° |
| C2 | N1 | C26 | 115.7° | 125.3° |
| N1 | C2 | C3 | 101.4° | 106.8° |
| N1 | C2 | H40 | 111.4° | 110.0° |
| N1 | C2 | H41 | 111.4° | 110.0° |
| C5 | N1 | C26 | 125.6° | 125.3° |
| N1 | C5 | C4 | 103.6° | 107.9° |
| N1 | C5 | H42 | 110.9° | 109.7° |
| N1 | C5 | H43 | 110.9° | 109.8° |
| N1 | C26 | C27 | 120.6° | 120.0° |
| N1 | C26 | O28 | 119.2° | 120.0° |
| C2 | C3 | C4 | 111.0° | 103.7° |
| C2 | C3 | C6 | 116.4° | 113.8° |
| C3 | C2 | H40 | 111.5° | 110.0° |
| C3 | C2 | H41 | 111.5° | 110.0° |
| C2 | C3 | H12 | 113.6° | 115.0° |
| C4 | C3 | C6 | 87.5° | 87.2° |
| C3 | C4 | C5 | 104.0° | 104.5° |
| C3 | C4 | C7 | 90.2° | 87.1° |
| C4 | C3 | H12 | 112.5° | 116.6° |
| C3 | C4 | H11 | 113.4° | 116.6° |
| C3 | C6 | C7 | 92.7° | 87.2° |
| C3 | C6 | C8 | 106.6° | 113.9° |
| C6 | C3 | H12 | 113.1° | 116.7° |
| C3 | C6 | H14 | 115.7° | 115.7° |
| C5 | C4 | C7 | 118.2° | 113.2° |
| C5 | C4 | H11 | 114.6° | 115.0° |
| C4 | C5 | H42 | 110.9° | 109.8° |
| C4 | C5 | H43 | 110.9° | 109.8° |
| C4 | C7 | C6 | 86.9° | 87.1° |
| C4 | C7 | C10 | 117.3° | 113.1° |
| C7 | C4 | H11 | 113.4° | 116.7° |
| C4 | C7 | H13 | 114.9° | 116.4° |
| C7 | C6 | C8 | 107.7° | 104.6° |
| C6 | C7 | C10 | 103.2° | 103.6° |
| C7 | C6 | H14 | 115.4° | 116.3° |
| C6 | C7 | H13 | 115.4° | 117.6° |
| C6 | C8 | N9 | 103.7° | 107.9° |
| C8 | C6 | H14 | 116.0° | 115.5° |
| C6 | C8 | H44 | 110.9° | 109.7° |
| C6 | C8 | H45 | 110.9° | 109.8° |
| C7 | C10 | N9 | 100.3° | 106.7° |
| C7 | C10 | H47 | 111.7° | 110.0° |
| C7 | C10 | H46 | 111.7° | 110.0° |
| C10 | C7 | H13 | 115.2° | 115.3° |
| C8 | N9 | C10 | 109.6° | 109.4° |
| C8 | N9 | C15 | 118.1° | 125.3° |
| N9 | C8 | H44 | 110.9° | 109.8° |
| N9 | C8 | H45 | 110.9° | 109.8° |
| C10 | N9 | C15 | 132.1° | 125.3° |
| N9 | C10 | H47 | 111.7° | 110.0° |
| N9 | C10 | H46 | 111.7° | 110.0° |
| N9 | C15 | C16 | 126.3° | 120.0° |
| N9 | C15 | O17 | 117.7° | 120.0° |
| C16 | C15 | O17 | 115.5° | 120.0° |
| C15 | C16 | C18 | 117.4° | 119.9° |
| C15 | C16 | C20 | 119.1° | 119.8° |
| C18 | C16 | C20 | 123.2° | 120.3° |
| C16 | C18 | C19 | 121.7° | 120.5° |
| C16 | C18 | H48 | 119.2° | 119.8° |
| C16 | C20 | C21 | 113.6° | 119.6° |
| C16 | C20 | H50 | 123.2° | 120.2° |
| C18 | C19 | C22 | 116.3° | 120.2° |
| C19 | C18 | H48 | 119.2° | 119.8° |
| C18 | C19 | H49 | 121.9° | 119.9° |
| C19 | C22 | C21 | 121.6° | 120.2° |
| C19 | C22 | N23 | 133.0° | 133.7° |
| C22 | C19 | H49 | 121.8° | 119.9° |
| C20 | C21 | C22 | 123.5° | 119.4° |
| C20 | C21 | N25 | 130.0° | 133.0° |
| C21 | C20 | H50 | 123.2° | 120.3° |
| C22 | C21 | N25 | 106.4° | 107.6° |
| C21 | C22 | N23 | 105.4° | 106.1° |
| C21 | N25 | N24 | 107.9° | 110.1° |
| C22 | N23 | N24 | 106.4° | 106.7° |
| C22 | N23 | H51 | 126.8° | 126.7° |
| N23 | N24 | N25 | 113.8° | 109.5° |
| N24 | N23 | H51 | 126.8° | 126.7° |
| C27 | C26 | O28 | 120.1° | 120.0° |
| C26 | C27 | C29 | 116.9° | 119.7° |
| C26 | C27 | N31 | 117.6° | 119.7° |
| C29 | C27 | N31 | 125.5° | 120.6° |
| C27 | C29 | C30 | 114.5° | 119.0° |
| C27 | C29 | H52 | 122.7° | 120.5° |
| C27 | N31 | C32 | 119.4° | 121.8° |
| C29 | C30 | C33 | 121.6° | 118.4° |
| C29 | C30 | O34 | 124.4° | 120.9° |
| C30 | C29 | H52 | 122.8° | 120.5° |
| C33 | C30 | O34 | 114.0° | 120.8° |
| C30 | C33 | C32 | 119.7° | 119.3° |
| C30 | C33 | CL37 | 124.7° | 120.4° |
| C30 | O34 | C35 | 117.2° | 116.9° |
| N31 | C32 | C33 | 119.3° | 120.9° |
| N31 | C32 | H53 | 120.4° | 119.6° |
| C32 | C33 | CL37 | 115.6° | 120.4° |
| C33 | C32 | H53 | 120.4° | 119.5° |
| O34 | C35 | C36 | 100.9° | 109.4° |
| O34 | C35 | H54 | 111.6° | 109.5° |
| O34 | C35 | H55 | 111.6° | 109.5° |
| C35 | C36 | C38 | 119.9° | 117.5° |
| C35 | C36 | C39 | 118.7° | 117.5° |
| C36 | C35 | H54 | 111.6° | 109.5° |
| C36 | C35 | H55 | 111.6° | 109.5° |
| C35 | C36 | H56 | 115.5° | 115.6° |
| C38 | C36 | C39 | 60.0° | 60.0° |
| C36 | C38 | C39 | 60.0° | 60.0° |
| C38 | C36 | H56 | 115.7° | 117.5° |
| C36 | C38 | H58 | 120.0° | 117.5° |
| C36 | C38 | H57 | 120.0° | 117.4° |
| C36 | C39 | C38 | 60.0° | 60.0° |
| C39 | C36 | H56 | 115.7° | 117.5° |
| C36 | C39 | H59 | 120.0° | 117.5° |
| C36 | C39 | H60 | 120.0° | 117.5° |
| C39 | C38 | H58 | 120.0° | 117.5° |
| C39 | C38 | H57 | 120.0° | 117.5° |
| C38 | C39 | H59 | 120.0° | 117.5° |
| C38 | C39 | H60 | 120.0° | 117.5° |
| H47 | C10 | H46 | 109.5° | 110.1° |
| H40 | C2 | H41 | 109.5° | 110.0° |
| H42 | C5 | H43 | 109.5° | 109.8° |
| H44 | C8 | H45 | 109.4° | 109.8° |
| H54 | C35 | H55 | 109.4° | 109.5° |
| H58 | C38 | H57 | 109.4° | 115.6° |
| H59 | C39 | H60 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C5 | C26 | 156.1° | 179.9° |
| N1 | C2 | C3 | H40 | 118.7° | 119.3° |
| N1 | C2 | C3 | H41 | 118.7° | 119.3° |
| N1 | C2 | C3 | C4 | 0.3° | 27.3° |
| N1 | C2 | C3 | C6 | 98.3° | 65.8° |
| C2 | N1 | C5 | C4 | 24.0° | 1.2° |
| C2 | N1 | C26 | C27 | 175.8° | 180.0° |
| C2 | N1 | C26 | O28 | 5.3° | 0.1° |
| N1 | C2 | H40 | H41 | 123.7° | 121.4° |
| N1 | C2 | C3 | H12 | 127.6° | 155.8° |
| C2 | N1 | C5 | H42 | 95.1° | 118.4° |
| C2 | N1 | C5 | H43 | 143.0° | 120.8° |
| C5 | N1 | C2 | C3 | 14.7° | 18.0° |
| N1 | C5 | C4 | C3 | 21.4° | 15.9° |
| N1 | C5 | C4 | H42 | 119.1° | 119.6° |
| N1 | C5 | C4 | H43 | 119.1° | 119.7° |
| N1 | C5 | C4 | C7 | 76.5° | 109.0° |
| C5 | N1 | C26 | C27 | 20.0° | 0.1° |
| C5 | N1 | C26 | O28 | 161.1° | 179.9° |
| C5 | N1 | C2 | H40 | 133.4° | 137.3° |
| C5 | N1 | C2 | H41 | 104.0° | 101.3° |
| N1 | C5 | C4 | H11 | 145.7° | 113.2° |
| N1 | C5 | H42 | H43 | 122.7° | 120.8° |
| C26 | N1 | C2 | C3 | 173.2° | 161.8° |
| C26 | N1 | C5 | C4 | 180.0° | 178.7° |
| N1 | C26 | C27 | O28 | 178.9° | 179.9° |
| N1 | C26 | C27 | C29 | 130.2° | 180.0° |
| N1 | C26 | C27 | N31 | 50.5° | 0.3° |
| C26 | N1 | C2 | H40 | 68.1° | 42.6° |
| C26 | N1 | C2 | H41 | 54.5° | 78.9° |
| C26 | N1 | C5 | H42 | 61.0° | 61.7° |
| C26 | N1 | C5 | H43 | 60.9° | 59.1° |
| C2 | C3 | C4 | C6 | 117.4° | 113.8° |
| C2 | C3 | C4 | H12 | 128.6° | 127.5° |
| C2 | C3 | C6 | H12 | 134.3° | 137.7° |
| C2 | C3 | C4 | C5 | 14.2° | 25.9° |
| C2 | C3 | C4 | C7 | 105.0° | 139.1° |
| C2 | C3 | C6 | C7 | 99.6° | 128.8° |
| C2 | C3 | C6 | C8 | 151.0° | 126.5° |
| C3 | C2 | H40 | H41 | 123.8° | 121.3° |
| C2 | C3 | C4 | H11 | 139.3° | 102.3° |
| C2 | C3 | C6 | H14 | 20.4° | 10.8° |
| C4 | C3 | C6 | H12 | 113.4° | 118.5° |
| C3 | C4 | C5 | C7 | 97.8° | 93.1° |
| C3 | C4 | C5 | H11 | 124.4° | 129.1° |
| C3 | C4 | C7 | H11 | 115.7° | 118.4° |
| C4 | C3 | C6 | C7 | 12.7° | 25.1° |
| C4 | C3 | C6 | C8 | 96.7° | 129.8° |
| C3 | C4 | C7 | C10 | 115.5° | 78.5° |
| C4 | C3 | C2 | H40 | 118.3° | 146.6° |
| C4 | C3 | C2 | H41 | 119.0° | 92.1° |
| C3 | C4 | C5 | H42 | 97.7° | 135.5° |
| C3 | C4 | C5 | H43 | 140.4° | 103.8° |
| C4 | C3 | C6 | H14 | 132.6° | 92.9° |
| C3 | C4 | C7 | H13 | 104.3° | 144.5° |
| C6 | C3 | C4 | C5 | 131.6° | 88.0° |
| C3 | C6 | C7 | C8 | 108.4° | 113.9° |
| C3 | C6 | C7 | H14 | 120.2° | 117.5° |
| C3 | C6 | C8 | H14 | 130.4° | 137.4° |
| C3 | C6 | C7 | C10 | 130.0° | 87.8° |
| C3 | C6 | C8 | N9 | 96.9° | 77.3° |
| C6 | C3 | C2 | H40 | 20.4° | 53.6° |
| C6 | C3 | C2 | H41 | 143.0° | 174.9° |
| C6 | C3 | C4 | H11 | 103.3° | 143.8° |
| C3 | C6 | C7 | H13 | 103.5° | 143.6° |
| C3 | C6 | C8 | H44 | 144.0° | 163.1° |
| C3 | C6 | C8 | H45 | 22.2° | 42.3° |
| C5 | C4 | C7 | H11 | 138.3° | 137.0° |
| C5 | C4 | C7 | C6 | 118.3° | 79.6° |
| C5 | C4 | C7 | C10 | 138.5° | 176.9° |
| C5 | C4 | C3 | H12 | 114.4° | 153.4° |
| C4 | C5 | H42 | H43 | 122.7° | 120.8° |
| C5 | C4 | C7 | H13 | 1.7° | 39.9° |
| C4 | C7 | C6 | C10 | 117.3° | 113.1° |
| C4 | C7 | C6 | H13 | 116.1° | 118.4° |
| C4 | C7 | C6 | C8 | 95.7° | 139.2° |
| C4 | C7 | C10 | H13 | 140.0° | 137.4° |
| C4 | C7 | C10 | N9 | 57.6° | 120.1° |
| C4 | C7 | C10 | H47 | 60.9° | 0.8° |
| C4 | C7 | C10 | H46 | 176.0° | 120.5° |
| C7 | C4 | C3 | H12 | 126.4° | 93.4° |
| C7 | C4 | C5 | H42 | 164.5° | 131.4° |
| C7 | C4 | C5 | H43 | 42.6° | 10.7° |
| C4 | C7 | C6 | H14 | 132.8° | 92.2° |
| C7 | C6 | C8 | H14 | 131.1° | 129.1° |
| C6 | C7 | C10 | H13 | 126.7° | 129.9° |
| C7 | C6 | C8 | N9 | 1.5° | 16.1° |
| C6 | C7 | C10 | N9 | 35.7° | 27.5° |
| C6 | C7 | C10 | H47 | 154.2° | 91.8° |
| C6 | C7 | C10 | H46 | 82.7° | 146.8° |
| C7 | C6 | C3 | H12 | 126.1° | 93.4° |
| C6 | C7 | C4 | H11 | 103.4° | 143.4° |
| C7 | C6 | C8 | H44 | 117.6° | 103.5° |
| C7 | C6 | C8 | H45 | 120.6° | 135.7° |
| C8 | C6 | C7 | C10 | 21.6° | 26.1° |
| C6 | C8 | N9 | H44 | 119.1° | 119.6° |
| C6 | C8 | N9 | H45 | 119.1° | 119.6° |
| C6 | C8 | N9 | C10 | 26.3° | 1.1° |
| C6 | C8 | N9 | C15 | 149.8° | 178.9° |
| C8 | C6 | C3 | H12 | 16.7° | 11.2° |
| C8 | C6 | C7 | H13 | 148.1° | 102.4° |
| C6 | C8 | H44 | H45 | 122.6° | 120.7° |
| C7 | C10 | N9 | C8 | 39.3° | 18.2° |
| C7 | C10 | N9 | H47 | 118.5° | 119.3° |
| C7 | C10 | N9 | H46 | 118.5° | 119.3° |
| C7 | C10 | N9 | C15 | 136.1° | 161.8° |
| C7 | C10 | H47 | H46 | 124.3° | 121.4° |
| C10 | C7 | C4 | H11 | 0.2° | 39.9° |
| C10 | C7 | C6 | H14 | 109.8° | 154.7° |
| C8 | N9 | C10 | C15 | 175.4° | 180.0° |
| C8 | N9 | C15 | C16 | 174.9° | 175.8° |
| C8 | N9 | C15 | O17 | 3.4° | 4.1° |
| C8 | N9 | C10 | H47 | 157.8° | 101.1° |
| C8 | N9 | C10 | H46 | 79.1° | 137.5° |
| N9 | C8 | C6 | H14 | 132.6° | 145.2° |
| N9 | C8 | H44 | H45 | 122.7° | 120.8° |
| C10 | N9 | C15 | C16 | 10.1° | 4.2° |
| C10 | N9 | C15 | O17 | 178.4° | 175.8° |
| N9 | C10 | H47 | H46 | 124.3° | 121.4° |
| N9 | C10 | C7 | H13 | 162.4° | 102.4° |
| C10 | N9 | C8 | H44 | 92.8° | 120.7° |
| C10 | N9 | C8 | H45 | 145.4° | 118.5° |
| N9 | C15 | C16 | O17 | 171.7° | 180.0° |
| N9 | C15 | C16 | C18 | 45.8° | 152.6° |
| N9 | C15 | C16 | C20 | 140.8° | 27.7° |
| C15 | N9 | C10 | H47 | 17.6° | 78.9° |
| C15 | N9 | C10 | H46 | 105.5° | 42.5° |
| C15 | N9 | C8 | H44 | 91.1° | 59.3° |
| C15 | N9 | C8 | H45 | 30.8° | 61.5° |
| C15 | C16 | C18 | C20 | 173.1° | 179.7° |
| C15 | C16 | C18 | C19 | 176.7° | 179.9° |
| C15 | C16 | C20 | C21 | 174.7° | 180.0° |
| C15 | C16 | C18 | H48 | 3.3° | 0.0° |
| C15 | C16 | C20 | H50 | 5.3° | 0.0° |
| O17 | C15 | C16 | C18 | 125.9° | 27.4° |
| O17 | C15 | C16 | C20 | 47.5° | 152.3° |
| C16 | C18 | C19 | H48 | 180.0° | 179.9° |
| C16 | C18 | C19 | C22 | 3.0° | 0.1° |
| C18 | C16 | C20 | C21 | 1.7° | 0.3° |
| C16 | C18 | C19 | H49 | 177.0° | 179.9° |
| C18 | C16 | C20 | H50 | 178.3° | 179.7° |
| C20 | C16 | C18 | C19 | 3.6° | 0.4° |
| C16 | C20 | C21 | H50 | 180.0° | 180.0° |
| C16 | C20 | C21 | C22 | 0.5° | 0.0° |
| C16 | C20 | C21 | N25 | 177.2° | 180.0° |
| C20 | C16 | C18 | H48 | 176.4° | 179.8° |
| C18 | C19 | C22 | H49 | 180.0° | 180.0° |
| C18 | C19 | C22 | C21 | 0.9° | 0.2° |
| C18 | C19 | C22 | N23 | 178.6° | 179.9° |
| C19 | C22 | C21 | C20 | 0.9° | 0.3° |
| C19 | C22 | C21 | N23 | 178.3° | 179.8° |
| C19 | C22 | C21 | N25 | 178.3° | 179.8° |
| C19 | C22 | N23 | N24 | 179.6° | 180.0° |
| C22 | C19 | C18 | H48 | 177.0° | 180.0° |
| C19 | C22 | N23 | H51 | 0.5° | 0.0° |
| C20 | C21 | C22 | N25 | 177.4° | 180.0° |
| C20 | C21 | C22 | N23 | 177.4° | 179.9° |
| C20 | C21 | N25 | N24 | 178.9° | 179.6° |
| C21 | C22 | N23 | N24 | 1.5° | 0.3° |
| C22 | C21 | N25 | N24 | 1.7° | 0.4° |
| C21 | C22 | C19 | H49 | 179.1° | 179.8° |
| C22 | C21 | C20 | H50 | 179.5° | 180.0° |
| C21 | C22 | N23 | H51 | 178.5° | 179.8° |
| N25 | C21 | C22 | N23 | 0.0° | 0.0° |
| C21 | N25 | N24 | N23 | 2.9° | 0.5° |
| N25 | C21 | C20 | H50 | 2.8° | 0.0° |
| C22 | N23 | N24 | H51 | 180.0° | 179.9° |
| C22 | N23 | N24 | N25 | 2.9° | 0.5° |
| N23 | C22 | C19 | H49 | 1.4° | 0.0° |
| N25 | N24 | N23 | H51 | 177.1° | 179.6° |
| C26 | C27 | C29 | N31 | 179.2° | 179.7° |
| C26 | C27 | C29 | C30 | 179.9° | 180.0° |
| C26 | C27 | N31 | C32 | 180.0° | 180.0° |
| C26 | C27 | C29 | H52 | 0.1° | 0.1° |
| O28 | C26 | C27 | C29 | 50.9° | 0.0° |
| O28 | C26 | C27 | N31 | 128.4° | 179.7° |
| C27 | C29 | C30 | H52 | 180.0° | 179.9° |
| C27 | C29 | C30 | C33 | 0.1° | 0.0° |
| C27 | C29 | C30 | O34 | 179.0° | 180.0° |
| C29 | C27 | N31 | C32 | 0.8° | 0.3° |
| N31 | C27 | C29 | C30 | 0.7° | 0.3° |
| C27 | N31 | C32 | C33 | 0.3° | 0.0° |
| N31 | C27 | C29 | H52 | 179.3° | 179.8° |
| C27 | N31 | C32 | H53 | 179.7° | 180.0° |
| C29 | C30 | C33 | O34 | 179.2° | 180.0° |
| C29 | C30 | C33 | C32 | 0.4° | 0.3° |
| C29 | C30 | C33 | CL37 | 179.2° | 180.0° |
| C29 | C30 | O34 | C35 | 13.9° | 0.0° |
| C30 | C33 | C32 | N31 | 0.2° | 0.3° |
| C30 | C33 | C32 | CL37 | 178.9° | 179.8° |
| C33 | C30 | O34 | C35 | 165.3° | 180.0° |
| C33 | C30 | C29 | H52 | 180.0° | 179.9° |
| C30 | C33 | C32 | H53 | 179.7° | 179.8° |
| O34 | C30 | C33 | C32 | 179.6° | 179.8° |
| O34 | C30 | C33 | CL37 | 1.6° | 0.0° |
| C30 | O34 | C35 | C36 | 175.9° | 180.0° |
| O34 | C30 | C29 | H52 | 0.9° | 0.0° |
| C30 | O34 | C35 | H54 | 65.5° | 60.0° |
| C30 | O34 | C35 | H55 | 57.3° | 60.0° |
| N31 | C32 | C33 | H53 | 180.0° | 180.0° |
| N31 | C32 | C33 | CL37 | 179.2° | 180.0° |
| CL37 | C33 | C32 | H53 | 0.8° | 0.0° |
| O34 | C35 | C36 | H54 | 118.6° | 120.0° |
| O34 | C35 | C36 | H55 | 118.6° | 120.0° |
| O34 | C35 | C36 | C38 | 60.0° | 175.0° |
| O34 | C35 | C36 | C39 | 129.9° | 116.4° |
| O34 | C35 | H54 | H55 | 124.0° | 120.0° |
| O34 | C35 | C36 | H56 | 86.0° | 29.3° |
| C35 | C36 | C38 | C39 | 107.9° | 107.5° |
| C35 | C36 | C38 | H56 | 145.9° | 145.0° |
| C35 | C36 | C39 | H56 | 144.0° | 145.1° |
| C36 | C35 | H54 | H55 | 124.0° | 120.0° |
| C35 | C36 | C38 | H58 | 142.6° | 145.0° |
| C35 | C36 | C38 | H57 | 1.6° | 0.0° |
| C35 | C36 | C39 | H59 | 0.4° | 0.0° |
| C35 | C36 | C39 | H60 | 140.6° | 145.0° |
| C38 | C36 | C39 | H56 | 106.1° | 107.5° |
| C36 | C38 | C39 | H58 | 109.5° | 107.4° |
| C36 | C38 | C39 | H57 | 109.5° | 107.4° |
| C38 | C36 | C35 | H54 | 58.6° | 55.1° |
| C38 | C36 | C35 | H55 | 178.6° | 65.0° |
| C36 | C38 | H58 | H57 | 144.7° | 145.6° |
| C38 | C36 | C39 | H59 | 109.5° | 107.5° |
| C38 | C36 | C39 | H60 | 109.5° | 107.5° |
| C39 | C36 | C35 | H54 | 11.3° | 123.7° |
| C39 | C36 | C35 | H55 | 111.5° | 3.6° |
| C36 | C39 | H59 | H60 | 144.7° | 145.7° |
| C39 | C38 | H58 | H57 | 144.8° | 145.8° |
| C38 | C39 | H59 | H60 | 144.7° | 145.6° |
| H47 | C10 | C7 | H13 | 79.1° | 138.3° |
| H46 | C10 | C7 | H13 | 43.9° | 16.9° |
| H48 | C18 | C19 | H49 | 3.0° | 0.1° |
| H40 | C2 | C3 | H12 | 113.7° | 84.9° |
| H41 | C2 | C3 | H12 | 8.9° | 36.4° |
| H12 | C3 | C4 | H11 | 10.7° | 25.2° |
| H12 | C3 | C6 | H14 | 113.9° | 148.5° |
| H11 | C4 | C5 | H42 | 26.7° | 6.3° |
| H11 | C4 | C5 | H43 | 95.2° | 127.1° |
| H11 | C4 | C7 | H13 | 139.9° | 97.1° |
| H14 | C6 | C7 | H13 | 16.7° | 26.2° |
| H14 | C6 | C8 | H44 | 13.5° | 25.6° |
| H14 | C6 | C8 | H45 | 108.3° | 95.1° |
| H54 | C35 | C36 | H56 | 155.4° | 90.6° |
| H55 | C35 | C36 | H56 | 32.6° | 149.3° |
| H56 | C36 | C38 | H58 | 3.3° | 0.0° |
| H56 | C36 | C38 | H57 | 144.4° | 145.0° |
| H56 | C36 | C39 | H59 | 144.4° | 145.1° |
| H56 | C36 | C39 | H60 | 3.4° | 0.0° |
| H58 | C38 | C39 | H59 | 141.1° | 145.0° |
| H58 | C38 | C39 | H60 | 0.0° | 0.1° |
| H57 | C38 | C39 | H59 | 0.0° | 0.1° |
| H57 | C38 | C39 | H60 | 141.1° | 145.1° |
