Y4N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | S2 | sing | 1.66Å | 1.67Å | |
| S2 | C3 | sing | 1.81Å | 1.72Å | |
| S2 | O9 | doub | 1.42Å | 1.49Å | |
| S2 | O10 | doub | 1.42Å | 1.40Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| C6 | N7 | sing | 1.35Å | 1.39Å | |
| C6 | O8 | doub | 1.21Å | 1.27Å | |
| N7 | C33 | sing | 1.47Å | 1.47Å | |
| N7 | C34 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | doub | 1.38Å | 1.43Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.42Å | Aromatic |
| C11 | C17 | sing | 1.51Å | 1.49Å | |
| C12 | C13 | sing | 1.38Å | 1.36Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.43Å | Aromatic |
| C14 | CL20 | sing | 1.74Å | 1.75Å | |
| C15 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | CL19 | sing | 1.74Å | 1.73Å | |
| C17 | N18 | sing | 1.47Å | 1.46Å | |
| N18 | C37 | sing | 1.35Å | 1.42Å | |
| C21 | C22 | doub | 1.40Å | 1.41Å | Aromatic |
| C21 | C24 | sing | 1.37Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C22 | N31 | sing | 1.40Å | 1.42Å | |
| C23 | C26 | doub | 1.39Å | 1.37Å | Aromatic |
| C24 | C25 | doub | 1.40Å | 1.41Å | Aromatic |
| C25 | C26 | sing | 1.41Å | 1.43Å | Aromatic |
| C25 | N30 | sing | 1.36Å | 1.39Å | |
| C26 | C27 | sing | 1.47Å | 1.44Å | |
| C27 | N28 | sing | 1.35Å | 1.42Å | |
| C27 | O39 | doub | 1.22Å | 1.27Å | |
| N28 | C29 | sing | 1.36Å | 1.44Å | |
| N28 | C36 | sing | 1.46Å | 1.47Å | |
| C29 | N30 | doub | 1.30Å | 1.34Å | |
| N31 | C32 | sing | 1.47Å | 1.51Å | |
| N31 | C35 | sing | 1.47Å | 1.52Å | |
| C32 | C33 | sing | 1.53Å | 1.55Å | |
| C34 | C35 | sing | 1.53Å | 1.54Å | |
| C36 | C37 | sing | 1.51Å | 1.57Å | |
| C37 | O38 | doub | 1.21Å | 1.23Å | |
| C13 | H49 | sing | 1.08Å | 1.08Å | |
| C16 | H50 | sing | 1.08Å | 1.08Å | |
| C17 | H52 | sing | 1.09Å | 1.10Å | |
| C17 | H51 | sing | 1.09Å | 1.10Å | |
| C21 | H54 | sing | 1.08Å | 1.08Å | |
| C23 | H55 | sing | 1.08Å | 1.08Å | |
| C24 | H56 | sing | 1.08Å | 1.08Å | |
| N1 | H41 | sing | 0.97Å | 1.00Å | |
| N1 | H40 | sing | 0.97Å | 1.00Å | |
| C3 | H43 | sing | 1.09Å | 1.10Å | |
| C3 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H44 | sing | 1.09Å | 1.10Å | |
| C4 | H45 | sing | 1.09Å | 1.10Å | |
| C5 | H46 | sing | 1.09Å | 1.10Å | |
| C5 | H47 | sing | 1.09Å | 1.10Å | |
| C12 | H48 | sing | 1.08Å | 1.08Å | |
| N18 | H53 | sing | 0.97Å | 1.00Å | |
| C29 | H57 | sing | 1.08Å | 1.08Å | |
| C32 | H59 | sing | 1.09Å | 1.10Å | |
| C32 | H58 | sing | 1.09Å | 1.10Å | |
| C33 | H60 | sing | 1.09Å | 1.10Å | |
| C33 | H61 | sing | 1.09Å | 1.10Å | |
| C34 | H63 | sing | 1.09Å | 1.10Å | |
| C34 | H62 | sing | 1.09Å | 1.10Å | |
| C35 | H64 | sing | 1.09Å | 1.10Å | |
| C35 | H65 | sing | 1.09Å | 1.10Å | |
| C36 | H67 | sing | 1.09Å | 1.10Å | |
| C36 | H66 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | S2 | C3 | 103.5° | 104.4° |
| N1 | S2 | O9 | 109.6° | 104.3° |
| N1 | S2 | O10 | 106.9° | 104.3° |
| S2 | N1 | H41 | 109.5° | 120.0° |
| S2 | N1 | H40 | 109.5° | 120.0° |
| C3 | S2 | O9 | 106.3° | 110.5° |
| C3 | S2 | O10 | 110.4° | 110.6° |
| S2 | C3 | C4 | 113.4° | 109.5° |
| S2 | C3 | H43 | 108.5° | 109.5° |
| S2 | C3 | H42 | 108.5° | 109.5° |
| O9 | S2 | O10 | 119.2° | 121.1° |
| C3 | C4 | C5 | 110.6° | 109.5° |
| C4 | C3 | H43 | 108.5° | 109.4° |
| C4 | C3 | H42 | 108.5° | 109.5° |
| C3 | C4 | H44 | 109.2° | 109.5° |
| C3 | C4 | H45 | 109.2° | 109.5° |
| C4 | C5 | C6 | 110.5° | 109.4° |
| C5 | C4 | H44 | 109.2° | 109.4° |
| C5 | C4 | H45 | 109.2° | 109.5° |
| C4 | C5 | H46 | 109.2° | 109.5° |
| C4 | C5 | H47 | 109.2° | 109.5° |
| C5 | C6 | N7 | 116.1° | 120.0° |
| C5 | C6 | O8 | 122.8° | 120.0° |
| C6 | C5 | H46 | 109.2° | 109.5° |
| C6 | C5 | H47 | 109.2° | 109.5° |
| N7 | C6 | O8 | 121.2° | 120.0° |
| C6 | N7 | C33 | 119.3° | 120.8° |
| C6 | N7 | C34 | 127.9° | 120.9° |
| C33 | N7 | C34 | 112.8° | 118.3° |
| N7 | C33 | C32 | 106.3° | 108.5° |
| N7 | C33 | H60 | 110.2° | 109.6° |
| N7 | C33 | H61 | 110.3° | 109.6° |
| N7 | C34 | C35 | 109.1° | 108.5° |
| N7 | C34 | H63 | 109.6° | 109.7° |
| N7 | C34 | H62 | 109.6° | 109.7° |
| C12 | C11 | C16 | 122.2° | 120.0° |
| C12 | C11 | C17 | 119.1° | 120.0° |
| C11 | C12 | C13 | 121.4° | 120.0° |
| C11 | C12 | H48 | 119.3° | 120.0° |
| C16 | C11 | C17 | 118.1° | 120.0° |
| C11 | C16 | C15 | 114.9° | 120.0° |
| C11 | C16 | H50 | 122.6° | 119.9° |
| C11 | C17 | N18 | 113.7° | 109.5° |
| C11 | C17 | H52 | 108.4° | 109.5° |
| C11 | C17 | H51 | 108.4° | 109.4° |
| C12 | C13 | C14 | 117.2° | 120.0° |
| C12 | C13 | H49 | 121.4° | 120.0° |
| C13 | C12 | H48 | 119.3° | 119.9° |
| C13 | C14 | C15 | 121.7° | 119.9° |
| C13 | C14 | CL20 | 118.9° | 120.0° |
| C14 | C13 | H49 | 121.4° | 120.0° |
| C15 | C14 | CL20 | 119.4° | 120.0° |
| C14 | C15 | C16 | 122.5° | 120.0° |
| C14 | C15 | CL19 | 117.6° | 120.0° |
| C16 | C15 | CL19 | 119.8° | 120.0° |
| C15 | C16 | H50 | 122.5° | 120.0° |
| C17 | N18 | C37 | 118.4° | 120.0° |
| N18 | C17 | H52 | 108.4° | 109.5° |
| N18 | C17 | H51 | 108.4° | 109.4° |
| C17 | N18 | H53 | 120.8° | 120.0° |
| N18 | C37 | C36 | 116.6° | 120.0° |
| N18 | C37 | O38 | 122.6° | 120.0° |
| C37 | N18 | H53 | 120.8° | 120.0° |
| C22 | C21 | C24 | 117.3° | 120.9° |
| C21 | C22 | C23 | 119.5° | 120.4° |
| C21 | C22 | N31 | 117.0° | 119.8° |
| C22 | C21 | H54 | 121.4° | 119.6° |
| C21 | C24 | C25 | 123.0° | 119.9° |
| C24 | C21 | H54 | 121.4° | 119.6° |
| C21 | C24 | H56 | 118.5° | 120.0° |
| C23 | C22 | N31 | 123.3° | 119.8° |
| C22 | C23 | C26 | 123.7° | 119.3° |
| C22 | C23 | H55 | 118.2° | 120.3° |
| C22 | N31 | C32 | 113.6° | 111.0° |
| C22 | N31 | C35 | 115.6° | 110.9° |
| C23 | C26 | C25 | 117.8° | 120.1° |
| C23 | C26 | C27 | 123.2° | 121.9° |
| C26 | C23 | H55 | 118.1° | 120.4° |
| C24 | C25 | C26 | 118.6° | 119.5° |
| C24 | C25 | N30 | 120.4° | 121.5° |
| C25 | C24 | H56 | 118.5° | 120.0° |
| C26 | C25 | N30 | 120.8° | 119.0° |
| C25 | C26 | C27 | 118.8° | 118.0° |
| C25 | N30 | C29 | 121.4° | 121.6° |
| C26 | C27 | N28 | 117.9° | 117.4° |
| C26 | C27 | O39 | 123.4° | 121.3° |
| N28 | C27 | O39 | 118.7° | 121.3° |
| C27 | N28 | C29 | 120.6° | 120.6° |
| C27 | N28 | C36 | 121.4° | 119.7° |
| C29 | N28 | C36 | 118.0° | 119.7° |
| N28 | C29 | N30 | 120.4° | 123.3° |
| N28 | C29 | H57 | 119.8° | 118.3° |
| N28 | C36 | C37 | 110.1° | 109.5° |
| N28 | C36 | H67 | 109.3° | 109.5° |
| N28 | C36 | H66 | 109.3° | 109.4° |
| N30 | C29 | H57 | 119.8° | 118.4° |
| C32 | N31 | C35 | 114.2° | 111.1° |
| N31 | C32 | C33 | 112.0° | 109.4° |
| N31 | C32 | H59 | 108.8° | 109.5° |
| N31 | C32 | H58 | 108.8° | 109.5° |
| N31 | C35 | C34 | 106.4° | 109.3° |
| N31 | C35 | H64 | 110.2° | 109.5° |
| N31 | C35 | H65 | 110.2° | 109.5° |
| C33 | C32 | H59 | 108.8° | 109.5° |
| C33 | C32 | H58 | 108.8° | 109.4° |
| C32 | C33 | H60 | 110.3° | 109.6° |
| C32 | C33 | H61 | 110.3° | 109.7° |
| C35 | C34 | H63 | 109.6° | 109.6° |
| C35 | C34 | H62 | 109.5° | 109.6° |
| C34 | C35 | H64 | 110.2° | 109.3° |
| C34 | C35 | H65 | 110.3° | 109.7° |
| C36 | C37 | O38 | 120.6° | 120.0° |
| C37 | C36 | H67 | 109.3° | 109.5° |
| C37 | C36 | H66 | 109.3° | 109.5° |
| H52 | C17 | H51 | 109.4° | 109.5° |
| H41 | N1 | H40 | 109.5° | 120.0° |
| H43 | C3 | H42 | 109.4° | 109.5° |
| H44 | C4 | H45 | 109.5° | 109.5° |
| H46 | C5 | H47 | 109.5° | 109.5° |
| H59 | C32 | H58 | 109.5° | 109.5° |
| H60 | C33 | H61 | 109.5° | 109.7° |
| H63 | C34 | H62 | 109.4° | 109.8° |
| H64 | C35 | H65 | 109.5° | 109.6° |
| H67 | C36 | H66 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | S2 | C3 | O9 | 115.4° | 111.6° |
| N1 | S2 | C3 | O10 | 114.0° | 111.6° |
| N1 | S2 | O9 | O10 | 123.4° | 116.8° |
| N1 | S2 | C3 | C4 | 61.6° | 180.0° |
| S2 | N1 | H41 | H40 | 120.0° | 179.9° |
| N1 | S2 | C3 | H43 | 59.0° | 60.0° |
| N1 | S2 | C3 | H42 | 177.8° | 60.0° |
| C3 | S2 | O9 | O10 | 125.4° | 131.5° |
| S2 | C3 | C4 | H43 | 120.6° | 120.0° |
| S2 | C3 | C4 | H42 | 120.6° | 120.0° |
| S2 | C3 | C4 | C5 | 176.6° | 180.0° |
| C3 | S2 | N1 | H41 | 180.0° | 150.1° |
| C3 | S2 | N1 | H40 | 60.0° | 30.0° |
| S2 | C3 | H43 | H42 | 118.2° | 120.0° |
| S2 | C3 | C4 | H44 | 63.2° | 60.1° |
| S2 | C3 | C4 | H45 | 56.5° | 60.0° |
| O9 | S2 | C3 | C4 | 177.1° | 68.4° |
| O9 | S2 | N1 | H41 | 66.9° | 93.9° |
| O9 | S2 | N1 | H40 | 53.1° | 86.0° |
| O9 | S2 | C3 | H43 | 56.5° | 171.6° |
| O9 | S2 | C3 | H42 | 62.4° | 51.6° |
| O10 | S2 | C3 | C4 | 52.4° | 68.4° |
| O10 | S2 | N1 | H41 | 63.5° | 34.0° |
| O10 | S2 | N1 | H40 | 176.5° | 146.1° |
| O10 | S2 | C3 | H43 | 173.0° | 51.6° |
| O10 | S2 | C3 | H42 | 68.2° | 171.6° |
| C3 | C4 | C5 | H44 | 120.2° | 120.0° |
| C3 | C4 | C5 | H45 | 120.2° | 120.0° |
| C3 | C4 | C5 | C6 | 73.3° | 180.0° |
| C4 | C3 | H43 | H42 | 118.2° | 120.0° |
| C3 | C4 | H44 | H45 | 119.5° | 120.0° |
| C3 | C4 | C5 | H46 | 166.6° | 60.0° |
| C3 | C4 | C5 | H47 | 46.9° | 60.0° |
| C4 | C5 | C6 | H46 | 120.2° | 120.0° |
| C4 | C5 | C6 | H47 | 120.1° | 120.0° |
| C4 | C5 | C6 | N7 | 159.1° | 180.0° |
| C4 | C5 | C6 | O8 | 20.6° | 0.0° |
| C5 | C4 | C3 | H43 | 56.0° | 60.0° |
| C5 | C4 | C3 | H42 | 62.8° | 60.0° |
| C5 | C4 | H44 | H45 | 119.5° | 120.0° |
| C4 | C5 | H46 | H47 | 119.5° | 120.0° |
| C5 | C6 | N7 | O8 | 179.7° | 179.9° |
| C5 | C6 | N7 | C33 | 176.3° | 180.0° |
| C5 | C6 | N7 | C34 | 7.1° | 0.3° |
| C6 | C5 | C4 | H44 | 46.9° | 60.0° |
| C6 | C5 | C4 | H45 | 166.6° | 60.0° |
| C6 | C5 | H46 | H47 | 119.5° | 120.0° |
| C6 | N7 | C33 | C34 | 177.1° | 179.7° |
| C6 | N7 | C33 | C32 | 114.8° | 128.8° |
| C6 | N7 | C34 | C35 | 108.9° | 128.8° |
| N7 | C6 | C5 | H46 | 80.8° | 60.0° |
| N7 | C6 | C5 | H47 | 38.9° | 60.0° |
| C6 | N7 | C33 | H60 | 125.7° | 111.5° |
| C6 | N7 | C33 | H61 | 4.7° | 9.0° |
| C6 | N7 | C34 | H63 | 11.1° | 9.1° |
| C6 | N7 | C34 | H62 | 131.2° | 111.5° |
| O8 | C6 | N7 | C33 | 3.4° | 0.0° |
| O8 | C6 | N7 | C34 | 173.3° | 179.7° |
| O8 | C6 | C5 | H46 | 99.6° | 120.0° |
| O8 | C6 | C5 | H47 | 140.7° | 120.0° |
| N7 | C33 | C32 | N31 | 53.1° | 53.9° |
| N7 | C33 | C32 | H60 | 119.5° | 119.7° |
| N7 | C33 | C32 | H61 | 119.5° | 119.8° |
| C33 | N7 | C34 | C35 | 68.0° | 50.9° |
| N7 | C33 | C32 | H59 | 67.3° | 66.1° |
| N7 | C33 | C32 | H58 | 173.5° | 173.9° |
| N7 | C33 | H60 | H61 | 121.5° | 120.5° |
| C33 | N7 | C34 | H63 | 172.1° | 170.6° |
| C33 | N7 | C34 | H62 | 52.0° | 68.8° |
| N7 | C34 | C35 | N31 | 58.7° | 53.8° |
| C34 | N7 | C33 | C32 | 62.3° | 50.9° |
| N7 | C34 | C35 | H63 | 120.0° | 119.7° |
| N7 | C34 | C35 | H62 | 120.0° | 119.7° |
| C34 | N7 | C33 | H60 | 57.2° | 68.8° |
| C34 | N7 | C33 | H61 | 178.2° | 170.7° |
| N7 | C34 | H63 | H62 | 120.2° | 120.5° |
| N7 | C34 | C35 | H64 | 178.2° | 173.6° |
| N7 | C34 | C35 | H65 | 60.8° | 66.3° |
| C12 | C11 | C16 | C17 | 171.3° | 179.8° |
| C11 | C12 | C13 | H48 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.4° | 0.0° |
| C12 | C11 | C16 | C15 | 2.3° | 0.0° |
| C12 | C11 | C17 | N18 | 139.6° | 90.0° |
| C11 | C12 | C13 | H49 | 179.6° | 180.0° |
| C12 | C11 | C16 | H50 | 177.7° | 180.0° |
| C12 | C11 | C17 | H52 | 18.9° | 150.0° |
| C12 | C11 | C17 | H51 | 99.8° | 30.0° |
| C16 | C11 | C12 | C13 | 1.4° | 0.1° |
| C11 | C16 | C15 | C14 | 2.5° | 0.0° |
| C11 | C16 | C15 | H50 | 180.0° | 179.9° |
| C11 | C16 | C15 | CL19 | 173.3° | 179.9° |
| C16 | C11 | C17 | N18 | 48.9° | 90.3° |
| C16 | C11 | C17 | H52 | 169.5° | 29.7° |
| C16 | C11 | C17 | H51 | 71.8° | 149.8° |
| C16 | C11 | C12 | H48 | 178.7° | 180.0° |
| C17 | C11 | C12 | C13 | 169.8° | 179.7° |
| C17 | C11 | C16 | C15 | 169.0° | 179.7° |
| C11 | C17 | N18 | H52 | 120.6° | 120.0° |
| C11 | C17 | N18 | H51 | 120.6° | 119.9° |
| C11 | C17 | N18 | C37 | 77.7° | 180.0° |
| C17 | C11 | C16 | H50 | 11.1° | 0.2° |
| C11 | C17 | H52 | H51 | 118.1° | 120.0° |
| C17 | C11 | C12 | H48 | 10.1° | 0.3° |
| C11 | C17 | N18 | H53 | 102.3° | 0.0° |
| C12 | C13 | C14 | H49 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.5° | 0.0° |
| C12 | C13 | C14 | CL20 | 179.3° | 180.0° |
| C13 | C14 | C15 | CL20 | 179.8° | 180.0° |
| C13 | C14 | C15 | C16 | 1.6° | 0.1° |
| C13 | C14 | C15 | CL19 | 174.2° | 180.0° |
| C14 | C13 | C12 | H48 | 179.7° | 180.0° |
| C14 | C15 | C16 | CL19 | 175.8° | 179.9° |
| C15 | C14 | C13 | H49 | 179.5° | 180.0° |
| C14 | C15 | C16 | H50 | 177.5° | 179.9° |
| CL20 | C14 | C15 | C16 | 178.1° | 180.0° |
| CL20 | C14 | C15 | CL19 | 6.0° | 0.1° |
| CL20 | C14 | C13 | H49 | 0.7° | 0.0° |
| CL19 | C15 | C16 | H50 | 6.7° | 0.0° |
| C17 | N18 | C37 | H53 | 180.0° | 180.0° |
| C17 | N18 | C37 | C36 | 176.5° | 180.0° |
| C17 | N18 | C37 | O38 | 8.0° | 0.0° |
| N18 | C17 | H52 | H51 | 118.1° | 120.0° |
| N18 | C37 | C36 | N28 | 144.1° | 180.0° |
| N18 | C37 | C36 | O38 | 175.6° | 179.9° |
| C37 | N18 | C17 | H52 | 42.9° | 60.0° |
| C37 | N18 | C17 | H51 | 161.6° | 60.0° |
| N18 | C37 | C36 | H67 | 24.0° | 60.0° |
| N18 | C37 | C36 | H66 | 95.8° | 60.0° |
| C22 | C21 | C24 | H54 | 180.0° | 179.8° |
| C21 | C22 | C23 | N31 | 174.4° | 180.0° |
| C21 | C22 | C23 | C26 | 1.4° | 0.0° |
| C22 | C21 | C24 | C25 | 0.9° | 0.0° |
| C21 | C22 | N31 | C32 | 53.7° | 0.0° |
| C21 | C22 | N31 | C35 | 171.4° | 124.0° |
| C21 | C22 | C23 | H55 | 178.7° | 179.9° |
| C22 | C21 | C24 | H56 | 179.0° | 180.0° |
| C24 | C21 | C22 | C23 | 2.3° | 0.1° |
| C24 | C21 | C22 | N31 | 172.5° | 180.0° |
| C21 | C24 | C25 | H56 | 180.0° | 179.9° |
| C21 | C24 | C25 | C26 | 1.4° | 0.0° |
| C21 | C24 | C25 | N30 | 175.0° | 180.0° |
| C22 | C23 | C26 | H55 | 180.0° | 179.9° |
| C22 | C23 | C26 | C25 | 1.0° | 0.0° |
| C22 | C23 | C26 | C27 | 177.1° | 180.0° |
| C23 | C22 | N31 | C32 | 120.8° | 180.0° |
| C23 | C22 | N31 | C35 | 14.1° | 56.0° |
| C23 | C22 | C21 | H54 | 177.7° | 179.7° |
| N31 | C22 | C23 | C26 | 173.0° | 180.0° |
| C22 | N31 | C32 | C35 | 135.6° | 123.9° |
| C22 | N31 | C32 | C33 | 171.9° | 172.7° |
| C22 | N31 | C35 | C34 | 172.0° | 172.7° |
| N31 | C22 | C21 | H54 | 7.5° | 0.2° |
| N31 | C22 | C23 | H55 | 7.0° | 0.1° |
| C22 | N31 | C32 | H59 | 67.7° | 67.3° |
| C22 | N31 | C32 | H58 | 51.5° | 52.8° |
| C22 | N31 | C35 | H64 | 52.5° | 53.0° |
| C22 | N31 | C35 | H65 | 68.4° | 67.1° |
| C23 | C26 | C25 | C24 | 2.3° | 0.0° |
| C23 | C26 | C25 | C27 | 176.3° | 180.0° |
| C23 | C26 | C25 | N30 | 174.1° | 180.0° |
| C23 | C26 | C27 | N28 | 173.2° | 180.0° |
| C23 | C26 | C27 | O39 | 6.7° | 0.0° |
| C24 | C25 | C26 | N30 | 176.4° | 180.0° |
| C24 | C25 | C26 | C27 | 178.5° | 180.0° |
| C24 | C25 | N30 | C29 | 177.1° | 180.0° |
| C25 | C24 | C21 | H54 | 179.1° | 179.7° |
| C25 | C26 | C27 | N28 | 2.9° | 0.0° |
| C25 | C26 | C27 | O39 | 177.3° | 180.0° |
| C26 | C25 | N30 | C29 | 0.7° | 0.0° |
| C25 | C26 | C23 | H55 | 179.0° | 179.9° |
| C26 | C25 | C24 | H56 | 178.7° | 179.9° |
| N30 | C25 | C26 | C27 | 2.2° | 0.0° |
| C25 | N30 | C29 | N28 | 0.1° | 0.0° |
| N30 | C25 | C24 | H56 | 4.9° | 0.0° |
| C25 | N30 | C29 | H57 | 179.9° | 180.0° |
| C26 | C27 | N28 | O39 | 179.9° | 180.0° |
| C26 | C27 | N28 | C29 | 2.3° | 0.0° |
| C26 | C27 | N28 | C36 | 175.6° | 180.0° |
| C27 | C26 | C23 | H55 | 2.9° | 0.1° |
| C27 | N28 | C29 | C36 | 177.9° | 180.0° |
| C27 | N28 | C29 | N30 | 0.9° | 0.0° |
| C27 | N28 | C36 | C37 | 65.8° | 90.0° |
| C27 | N28 | C29 | H57 | 179.1° | 180.0° |
| C27 | N28 | C36 | H67 | 54.3° | 150.0° |
| C27 | N28 | C36 | H66 | 174.1° | 30.0° |
| O39 | C27 | N28 | C29 | 177.9° | 180.0° |
| O39 | C27 | N28 | C36 | 4.3° | 0.0° |
| N28 | C29 | N30 | H57 | 180.0° | 180.0° |
| C29 | N28 | C36 | C37 | 112.1° | 90.0° |
| C29 | N28 | C36 | H67 | 127.8° | 30.0° |
| C29 | N28 | C36 | H66 | 8.0° | 149.9° |
| C36 | N28 | C29 | N30 | 177.0° | 180.0° |
| N28 | C36 | C37 | H67 | 120.1° | 120.0° |
| N28 | C36 | C37 | H66 | 120.1° | 120.0° |
| N28 | C36 | C37 | O38 | 31.5° | 0.1° |
| C36 | N28 | C29 | H57 | 3.0° | 0.0° |
| N28 | C36 | H67 | H66 | 119.7° | 119.9° |
| N31 | C32 | C33 | H59 | 120.4° | 120.0° |
| N31 | C32 | C33 | H58 | 120.4° | 119.9° |
| C32 | N31 | C35 | C34 | 53.3° | 63.3° |
| N31 | C32 | H59 | H58 | 118.8° | 120.0° |
| N31 | C32 | C33 | H60 | 66.4° | 65.8° |
| N31 | C32 | C33 | H61 | 172.6° | 173.7° |
| C32 | N31 | C35 | H64 | 172.8° | 177.0° |
| C32 | N31 | C35 | H65 | 66.2° | 56.8° |
| C35 | N31 | C32 | C33 | 52.5° | 63.4° |
| N31 | C35 | C34 | H64 | 119.5° | 119.8° |
| N31 | C35 | C34 | H65 | 119.5° | 120.1° |
| C35 | N31 | C32 | H59 | 67.8° | 56.6° |
| C35 | N31 | C32 | H58 | 172.9° | 176.7° |
| N31 | C35 | C34 | H63 | 178.7° | 173.6° |
| N31 | C35 | C34 | H62 | 61.3° | 65.9° |
| N31 | C35 | H64 | H65 | 121.4° | 120.1° |
| C33 | C32 | H59 | H58 | 118.8° | 120.0° |
| C32 | C33 | H60 | H61 | 121.5° | 120.5° |
| C35 | C34 | H63 | H62 | 120.1° | 120.4° |
| C34 | C35 | H64 | H65 | 121.5° | 120.2° |
| C36 | C37 | N18 | H53 | 3.5° | 0.0° |
| C37 | C36 | H67 | H66 | 119.7° | 120.0° |
| O38 | C37 | N18 | H53 | 172.0° | 180.0° |
| O38 | C37 | C36 | H67 | 151.6° | 120.0° |
| O38 | C37 | C36 | H66 | 88.6° | 120.0° |
| H49 | C13 | C12 | H48 | 0.3° | 0.0° |
| H52 | C17 | N18 | H53 | 137.1° | 120.0° |
| H51 | C17 | N18 | H53 | 18.4° | 120.0° |
| H54 | C21 | C24 | H56 | 0.9° | 0.2° |
| H43 | C3 | C4 | H44 | 176.2° | 180.0° |
| H43 | C3 | C4 | H45 | 64.1° | 60.0° |
| H42 | C3 | C4 | H44 | 57.4° | 60.0° |
| H42 | C3 | C4 | H45 | 177.1° | 180.0° |
| H44 | C4 | C5 | H46 | 73.3° | 180.0° |
| H44 | C4 | C5 | H47 | 167.0° | 60.0° |
| H45 | C4 | C5 | H46 | 46.4° | 60.0° |
| H45 | C4 | C5 | H47 | 73.3° | 180.0° |
| H59 | C32 | C33 | H60 | 173.2° | 174.2° |
| H59 | C32 | C33 | H61 | 52.2° | 53.6° |
| H58 | C32 | C33 | H60 | 54.0° | 54.2° |
| H58 | C32 | C33 | H61 | 67.0° | 66.4° |
| H63 | C34 | C35 | H64 | 61.8° | 66.6° |
| H63 | C34 | C35 | H65 | 59.2° | 53.5° |
| H62 | C34 | C35 | H64 | 58.2° | 53.9° |
| H62 | C34 | C35 | H65 | 179.2° | 174.0° |
