ERK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O24 | C25 | sing | 1.43Å | 1.42Å | |
| O24 | C23 | sing | 1.43Å | 1.43Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C26 | C21 | sing | 1.53Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.51Å | |
| C22 | C21 | sing | 1.53Å | 1.51Å | |
| C21 | N20 | sing | 1.47Å | 1.46Å | |
| N20 | C19 | sing | 1.38Å | 1.35Å | |
| C19 | N18 | doub | 1.32Å | 1.35Å | Aromatic |
| C19 | N27 | sing | 1.32Å | 1.34Å | Aromatic |
| N18 | C17 | sing | 1.33Å | 1.35Å | Aromatic |
| N27 | C28 | doub | 1.32Å | 1.34Å | Aromatic |
| C17 | C12 | sing | 1.48Å | 1.49Å | |
| C17 | C29 | doub | 1.40Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C29 | CL3 | sing | 1.74Å | 1.73Å | |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| O16 | C15 | doub | 1.22Å | 1.22Å | |
| C14 | C15 | sing | 1.48Å | 1.48Å | |
| C14 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | N7 | sing | 1.34Å | 1.36Å | |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.50Å | |
| N7 | C8 | sing | 1.47Å | 1.47Å | |
| N7 | C6 | sing | 1.47Å | 1.45Å | |
| C6 | C4 | sing | 1.51Å | 1.52Å | |
| C4 | N3 | sing | 1.35Å | 1.33Å | |
| C4 | O5 | doub | 1.21Å | 1.22Å | |
| N3 | C2 | sing | 1.47Å | 1.47Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C36 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C31 | sing | 1.51Å | 1.52Å | |
| C35 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H39 | sing | 1.09Å | 1.10Å | |
| C1 | H38 | sing | 1.09Å | 1.10Å | |
| C1 | H40 | sing | 1.09Å | 1.10Å | |
| C2 | H37 | sing | 1.09Å | 1.10Å | |
| C6 | H42 | sing | 1.09Å | 1.10Å | |
| C6 | H43 | sing | 1.09Å | 1.10Å | |
| C8 | H44 | sing | 1.09Å | 1.10Å | |
| C8 | H45 | sing | 1.09Å | 1.10Å | |
| C10 | H46 | sing | 1.08Å | 1.08Å | |
| C11 | H47 | sing | 1.08Å | 1.08Å | |
| C13 | H48 | sing | 1.08Å | 1.08Å | |
| C21 | H50 | sing | 1.09Å | 1.10Å | |
| C22 | H51 | sing | 1.09Å | 1.10Å | |
| C22 | H52 | sing | 1.09Å | 1.10Å | |
| C23 | H53 | sing | 1.09Å | 1.10Å | |
| C23 | H54 | sing | 1.09Å | 1.10Å | |
| C25 | H56 | sing | 1.09Å | 1.10Å | |
| C25 | H55 | sing | 1.09Å | 1.10Å | |
| C26 | H57 | sing | 1.09Å | 1.10Å | |
| C26 | H58 | sing | 1.09Å | 1.10Å | |
| C28 | H59 | sing | 1.08Å | 1.08Å | |
| C35 | H63 | sing | 1.08Å | 1.08Å | |
| C36 | H64 | sing | 1.08Å | 1.08Å | |
| N3 | H41 | sing | 0.97Å | 1.00Å | |
| N20 | H49 | sing | 0.97Å | 1.00Å | |
| C32 | H60 | sing | 1.08Å | 1.08Å | |
| C33 | H61 | sing | 1.08Å | 1.08Å | |
| C34 | H62 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | O24 | C23 | 110.2° | 114.0° |
| O24 | C25 | C26 | 111.2° | 109.4° |
| O24 | C25 | H56 | 109.0° | 109.5° |
| O24 | C25 | H55 | 109.0° | 109.5° |
| O24 | C23 | C22 | 111.4° | 109.4° |
| O24 | C23 | H53 | 109.0° | 109.5° |
| O24 | C23 | H54 | 109.0° | 109.5° |
| C25 | C26 | C21 | 109.9° | 109.2° |
| C26 | C25 | H56 | 109.0° | 109.4° |
| C26 | C25 | H55 | 109.1° | 109.5° |
| C25 | C26 | H57 | 109.3° | 109.5° |
| C25 | C26 | H58 | 109.3° | 109.5° |
| C26 | C21 | C22 | 110.6° | 109.1° |
| C26 | C21 | N20 | 111.0° | 109.6° |
| C26 | C21 | H50 | 108.1° | 109.5° |
| C21 | C26 | H57 | 109.4° | 109.5° |
| C21 | C26 | H58 | 109.4° | 109.5° |
| C23 | C22 | C21 | 108.0° | 109.1° |
| C23 | C22 | H51 | 109.8° | 109.5° |
| C23 | C22 | H52 | 109.8° | 109.6° |
| C22 | C23 | H53 | 109.0° | 109.5° |
| C22 | C23 | H54 | 109.0° | 109.4° |
| C22 | C21 | N20 | 110.1° | 109.5° |
| C22 | C21 | H50 | 108.2° | 109.5° |
| C21 | C22 | H51 | 109.9° | 109.5° |
| C21 | C22 | H52 | 109.8° | 109.5° |
| C21 | N20 | C19 | 126.3° | 119.9° |
| N20 | C21 | H50 | 108.9° | 109.6° |
| C21 | N20 | H49 | 105.1° | 120.0° |
| N20 | C19 | N18 | 117.7° | 119.1° |
| N20 | C19 | N27 | 115.3° | 119.2° |
| C19 | N20 | H49 | 105.1° | 120.0° |
| N18 | C19 | N27 | 126.9° | 121.7° |
| C19 | N18 | C17 | 115.8° | 120.6° |
| C19 | N27 | C28 | 115.6° | 121.1° |
| N18 | C17 | C12 | 116.0° | 120.5° |
| N18 | C17 | C29 | 121.5° | 119.0° |
| N27 | C28 | C29 | 122.7° | 119.2° |
| N27 | C28 | H59 | 118.7° | 120.4° |
| C12 | C17 | C29 | 122.4° | 120.5° |
| C17 | C12 | C13 | 123.2° | 120.0° |
| C17 | C12 | C11 | 118.4° | 120.0° |
| C17 | C29 | C28 | 117.5° | 118.4° |
| C17 | C29 | CL3 | 123.1° | 120.8° |
| C28 | C29 | CL3 | 119.4° | 120.8° |
| C29 | C28 | H59 | 118.7° | 120.4° |
| C13 | C12 | C11 | 118.2° | 120.1° |
| C12 | C13 | C14 | 119.9° | 119.7° |
| C12 | C13 | H48 | 120.0° | 120.1° |
| C12 | C11 | C10 | 121.5° | 120.1° |
| C12 | C11 | H47 | 119.3° | 120.0° |
| C13 | C14 | C15 | 131.1° | 132.2° |
| C13 | C14 | C9 | 120.3° | 119.5° |
| C14 | C13 | H48 | 120.1° | 120.1° |
| C11 | C10 | C9 | 120.3° | 120.1° |
| C11 | C10 | H46 | 119.8° | 120.0° |
| C10 | C11 | H47 | 119.3° | 120.0° |
| O16 | C15 | C14 | 128.6° | 124.9° |
| O16 | C15 | N7 | 125.1° | 124.9° |
| C15 | C14 | C9 | 108.6° | 108.3° |
| C14 | C15 | N7 | 106.4° | 110.2° |
| C14 | C9 | C10 | 119.7° | 120.5° |
| C14 | C9 | C8 | 109.6° | 106.4° |
| C15 | N7 | C8 | 113.3° | 108.8° |
| C15 | N7 | C6 | 124.1° | 125.6° |
| C10 | C9 | C8 | 130.7° | 133.1° |
| C9 | C10 | H46 | 119.9° | 119.9° |
| C9 | C8 | N7 | 102.1° | 106.3° |
| C9 | C8 | H44 | 111.3° | 110.1° |
| C9 | C8 | H45 | 111.3° | 110.1° |
| C8 | N7 | C6 | 122.4° | 125.7° |
| N7 | C8 | H44 | 111.3° | 110.1° |
| N7 | C8 | H45 | 111.3° | 110.1° |
| N7 | C6 | C4 | 114.6° | 109.5° |
| N7 | C6 | H42 | 108.1° | 109.5° |
| N7 | C6 | H43 | 108.2° | 109.4° |
| C6 | C4 | N3 | 116.3° | 120.0° |
| C6 | C4 | O5 | 121.1° | 120.0° |
| C4 | C6 | H42 | 108.2° | 109.5° |
| C4 | C6 | H43 | 108.2° | 109.4° |
| N3 | C4 | O5 | 122.6° | 120.0° |
| C4 | N3 | C2 | 123.4° | 120.0° |
| C4 | N3 | H41 | 118.3° | 120.0° |
| N3 | C2 | C1 | 108.9° | 109.4° |
| N3 | C2 | C31 | 113.8° | 109.5° |
| N3 | C2 | H37 | 108.4° | 109.5° |
| C2 | N3 | H41 | 118.3° | 120.0° |
| C1 | C2 | C31 | 110.0° | 109.5° |
| C2 | C1 | H39 | 109.5° | 109.4° |
| C2 | C1 | H38 | 109.4° | 109.5° |
| C2 | C1 | H40 | 109.5° | 109.5° |
| C1 | C2 | H37 | 107.7° | 109.5° |
| C35 | C36 | C31 | 120.7° | 119.9° |
| C36 | C35 | C34 | 120.3° | 120.0° |
| C36 | C35 | H63 | 119.8° | 120.0° |
| C35 | C36 | H64 | 119.6° | 120.0° |
| C36 | C31 | C2 | 121.5° | 120.0° |
| C36 | C31 | C32 | 118.5° | 120.0° |
| C31 | C36 | H64 | 119.6° | 120.0° |
| C2 | C31 | C32 | 120.0° | 120.0° |
| C31 | C2 | H37 | 107.8° | 109.5° |
| C35 | C34 | C33 | 119.7° | 120.0° |
| C34 | C35 | H63 | 119.9° | 120.0° |
| C35 | C34 | H62 | 120.2° | 120.0° |
| C31 | C32 | C33 | 120.6° | 120.0° |
| C31 | C32 | H60 | 119.7° | 120.0° |
| C34 | C33 | C32 | 120.2° | 120.0° |
| C34 | C33 | H61 | 119.9° | 120.0° |
| C33 | C34 | H62 | 120.1° | 120.0° |
| C33 | C32 | H60 | 119.7° | 120.0° |
| C32 | C33 | H61 | 119.9° | 120.0° |
| H39 | C1 | H38 | 109.5° | 109.5° |
| H39 | C1 | H40 | 109.5° | 109.5° |
| H38 | C1 | H40 | 109.5° | 109.5° |
| H42 | C6 | H43 | 109.5° | 109.5° |
| H44 | C8 | H45 | 109.5° | 110.1° |
| H51 | C22 | H52 | 109.5° | 109.6° |
| H53 | C23 | H54 | 109.5° | 109.5° |
| H56 | C25 | H55 | 109.5° | 109.5° |
| H57 | C26 | H58 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O24 | C25 | C26 | H56 | 120.3° | 120.0° |
| O24 | C25 | C26 | H55 | 120.3° | 120.0° |
| O24 | C25 | C26 | C21 | 56.2° | 57.6° |
| C25 | O24 | C23 | C22 | 63.6° | 61.3° |
| C25 | O24 | C23 | H53 | 176.1° | 58.8° |
| C25 | O24 | C23 | H54 | 56.7° | 178.8° |
| O24 | C25 | H56 | H55 | 119.2° | 120.1° |
| O24 | C25 | C26 | H57 | 176.3° | 62.2° |
| O24 | C25 | C26 | H58 | 63.9° | 177.5° |
| C23 | O24 | C25 | C26 | 61.1° | 61.3° |
| O24 | C23 | C22 | H53 | 120.3° | 120.0° |
| O24 | C23 | C22 | H54 | 120.3° | 120.0° |
| O24 | C23 | C22 | C21 | 59.5° | 57.6° |
| O24 | C23 | C22 | H51 | 60.3° | 177.5° |
| O24 | C23 | C22 | H52 | 179.3° | 62.3° |
| O24 | C23 | H53 | H54 | 119.1° | 120.1° |
| C23 | O24 | C25 | H56 | 59.2° | 178.8° |
| C23 | O24 | C25 | H55 | 178.6° | 58.8° |
| C25 | C26 | C21 | H57 | 120.1° | 119.9° |
| C25 | C26 | C21 | H58 | 120.0° | 119.9° |
| C25 | C26 | C21 | C22 | 53.2° | 57.0° |
| C25 | C26 | C21 | N20 | 175.7° | 176.8° |
| C25 | C26 | C21 | H50 | 65.0° | 62.9° |
| C26 | C25 | H56 | H55 | 119.2° | 120.0° |
| C25 | C26 | H57 | H58 | 119.8° | 120.2° |
| C26 | C21 | C22 | C23 | 54.3° | 56.9° |
| C26 | C21 | C22 | N20 | 122.9° | 119.9° |
| C26 | C21 | C22 | H50 | 118.2° | 119.9° |
| C26 | C21 | N20 | H50 | 118.9° | 120.2° |
| C26 | C21 | N20 | C19 | 80.6° | 85.2° |
| C26 | C21 | C22 | H51 | 65.4° | 176.8° |
| C26 | C21 | C22 | H52 | 174.1° | 63.0° |
| C21 | C26 | C25 | H56 | 64.1° | 177.6° |
| C21 | C26 | C25 | H55 | 176.5° | 62.4° |
| C21 | C26 | H57 | H58 | 119.8° | 120.1° |
| C26 | C21 | N20 | H49 | 41.6° | 94.8° |
| C23 | C22 | C21 | H51 | 119.8° | 119.8° |
| C23 | C22 | C21 | H52 | 119.8° | 120.0° |
| C23 | C22 | C21 | N20 | 177.3° | 176.9° |
| C23 | C22 | C21 | H50 | 63.8° | 62.9° |
| C23 | C22 | H51 | H52 | 120.7° | 120.2° |
| C22 | C23 | H53 | H54 | 119.1° | 120.0° |
| C22 | C21 | N20 | H50 | 118.4° | 120.2° |
| C22 | C21 | N20 | C19 | 156.7° | 155.2° |
| C21 | C22 | H51 | H52 | 120.7° | 120.2° |
| C21 | C22 | C23 | H53 | 179.8° | 62.4° |
| C21 | C22 | C23 | H54 | 60.7° | 177.6° |
| C22 | C21 | C26 | H57 | 173.3° | 62.9° |
| C22 | C21 | C26 | H58 | 66.8° | 176.9° |
| C22 | C21 | N20 | H49 | 81.1° | 24.8° |
| C21 | N20 | C19 | H49 | 122.2° | 180.0° |
| C21 | N20 | C19 | N18 | 4.4° | 180.0° |
| C21 | N20 | C19 | N27 | 176.6° | 0.0° |
| N20 | C21 | C22 | H51 | 57.5° | 63.3° |
| N20 | C21 | C22 | H52 | 63.0° | 56.9° |
| N20 | C21 | C26 | H57 | 64.3° | 56.9° |
| N20 | C21 | C26 | H58 | 55.6° | 63.3° |
| N20 | C19 | N18 | N27 | 178.8° | 180.0° |
| N20 | C19 | N18 | C17 | 179.8° | 180.0° |
| N20 | C19 | N27 | C28 | 179.4° | 180.0° |
| C19 | N20 | C21 | H50 | 38.3° | 35.0° |
| N18 | C19 | N27 | C28 | 0.5° | 0.0° |
| C19 | N18 | C17 | C12 | 178.0° | 180.0° |
| C19 | N18 | C17 | C29 | 2.1° | 0.0° |
| N18 | C19 | N20 | H49 | 126.7° | 0.0° |
| N27 | C19 | N18 | C17 | 1.3° | 0.0° |
| C19 | N27 | C28 | C29 | 0.5° | 0.0° |
| C19 | N27 | C28 | H59 | 179.5° | 180.0° |
| N27 | C19 | N20 | H49 | 54.4° | 180.0° |
| N18 | C17 | C12 | C29 | 175.9° | 180.0° |
| N18 | C17 | C29 | C28 | 2.1° | 0.0° |
| N18 | C17 | C12 | C13 | 144.1° | 35.0° |
| N18 | C17 | C12 | C11 | 40.9° | 145.1° |
| N18 | C17 | C29 | CL3 | 178.8° | 180.0° |
| N27 | C28 | C29 | C17 | 1.2° | 0.0° |
| N27 | C28 | C29 | H59 | 180.0° | 180.0° |
| N27 | C28 | C29 | CL3 | 179.6° | 180.0° |
| C12 | C17 | C29 | C28 | 177.8° | 180.0° |
| C17 | C12 | C13 | C11 | 175.1° | 180.0° |
| C17 | C12 | C13 | C14 | 177.9° | 179.9° |
| C12 | C17 | C29 | CL3 | 3.1° | 0.1° |
| C17 | C12 | C11 | C10 | 178.6° | 179.9° |
| C17 | C12 | C11 | H47 | 1.4° | 0.0° |
| C17 | C12 | C13 | H48 | 2.1° | 0.0° |
| C17 | C29 | C28 | CL3 | 179.2° | 179.9° |
| C29 | C17 | C12 | C13 | 40.0° | 145.0° |
| C29 | C17 | C12 | C11 | 135.1° | 35.0° |
| C17 | C29 | C28 | H59 | 178.8° | 180.0° |
| C12 | C13 | C14 | H48 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 3.3° | 0.0° |
| C12 | C13 | C14 | C15 | 178.1° | 180.0° |
| C12 | C13 | C14 | C9 | 1.6° | 0.0° |
| C13 | C12 | C11 | H47 | 176.7° | 180.0° |
| C11 | C12 | C13 | C14 | 2.9° | 0.0° |
| C12 | C11 | C10 | H47 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 2.4° | 0.0° |
| C12 | C11 | C10 | H46 | 177.6° | 180.0° |
| C11 | C12 | C13 | H48 | 177.1° | 180.0° |
| C13 | C14 | C15 | O16 | 0.2° | 0.0° |
| C13 | C14 | C15 | C9 | 179.8° | 180.0° |
| C13 | C14 | C15 | N7 | 179.8° | 180.0° |
| C13 | C14 | C9 | C10 | 0.7° | 0.0° |
| C13 | C14 | C9 | C8 | 179.5° | 180.0° |
| CL3 | C29 | C28 | H59 | 0.4° | 0.0° |
| C11 | C10 | C9 | C14 | 1.1° | 0.0° |
| C11 | C10 | C9 | H46 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 179.6° | 180.0° |
| O16 | C15 | C14 | N7 | 180.0° | 180.0° |
| O16 | C15 | C14 | C9 | 180.0° | 180.0° |
| O16 | C15 | N7 | C8 | 179.7° | 180.0° |
| O16 | C15 | N7 | C6 | 4.9° | 0.0° |
| C15 | C14 | C9 | C10 | 179.1° | 180.0° |
| C15 | C14 | C9 | C8 | 0.3° | 0.0° |
| C14 | C15 | N7 | C8 | 0.3° | 0.0° |
| C14 | C15 | N7 | C6 | 175.1° | 180.0° |
| C15 | C14 | C13 | H48 | 1.9° | 0.0° |
| C9 | C14 | C15 | N7 | 0.0° | 0.0° |
| C14 | C9 | C10 | C8 | 178.5° | 180.0° |
| C14 | C9 | C8 | N7 | 0.5° | 0.0° |
| C14 | C9 | C8 | H44 | 119.3° | 119.2° |
| C14 | C9 | C8 | H45 | 118.3° | 119.2° |
| C14 | C9 | C10 | H46 | 179.0° | 179.9° |
| C9 | C14 | C13 | H48 | 178.4° | 179.9° |
| C15 | N7 | C8 | C9 | 0.5° | 0.1° |
| C15 | N7 | C8 | C6 | 174.9° | 180.0° |
| C15 | N7 | C6 | C4 | 91.9° | 90.0° |
| C15 | N7 | C6 | H42 | 147.4° | 30.0° |
| C15 | N7 | C6 | H43 | 28.9° | 150.0° |
| C15 | N7 | C8 | H44 | 119.3° | 119.2° |
| C15 | N7 | C8 | H45 | 118.3° | 119.3° |
| C10 | C9 | C8 | N7 | 179.1° | 180.0° |
| C10 | C9 | C8 | H44 | 62.1° | 60.7° |
| C10 | C9 | C8 | H45 | 60.3° | 60.8° |
| C9 | C10 | C11 | H47 | 177.5° | 180.0° |
| C9 | C8 | N7 | H44 | 118.8° | 119.2° |
| C9 | C8 | N7 | H45 | 118.8° | 119.2° |
| C9 | C8 | N7 | C6 | 175.3° | 180.0° |
| C9 | C8 | H44 | H45 | 123.4° | 121.5° |
| C8 | C9 | C10 | H46 | 0.4° | 0.1° |
| C8 | N7 | C6 | C4 | 93.8° | 90.0° |
| C8 | N7 | C6 | H42 | 26.9° | 150.0° |
| C8 | N7 | C6 | H43 | 145.4° | 29.9° |
| N7 | C8 | H44 | H45 | 123.4° | 121.6° |
| N7 | C6 | C4 | H42 | 120.7° | 120.1° |
| N7 | C6 | C4 | H43 | 120.8° | 119.9° |
| N7 | C6 | C4 | N3 | 165.5° | 180.0° |
| N7 | C6 | C4 | O5 | 14.3° | 0.0° |
| N7 | C6 | H42 | H43 | 117.6° | 120.0° |
| C6 | N7 | C8 | H44 | 65.9° | 60.8° |
| C6 | N7 | C8 | H45 | 56.5° | 60.8° |
| C6 | C4 | N3 | O5 | 179.7° | 180.0° |
| C6 | C4 | N3 | C2 | 170.2° | 180.0° |
| C4 | C6 | H42 | H43 | 117.7° | 120.0° |
| C6 | C4 | N3 | H41 | 9.8° | 0.0° |
| C4 | N3 | C2 | H41 | 180.0° | 180.0° |
| C4 | N3 | C2 | C1 | 103.1° | 85.0° |
| C4 | N3 | C2 | C31 | 133.8° | 155.0° |
| C4 | N3 | C2 | H37 | 13.9° | 35.0° |
| N3 | C4 | C6 | H42 | 44.7° | 60.0° |
| N3 | C4 | C6 | H43 | 73.7° | 60.1° |
| O5 | C4 | N3 | C2 | 10.0° | 0.0° |
| O5 | C4 | C6 | H42 | 135.0° | 120.0° |
| O5 | C4 | C6 | H43 | 106.5° | 119.9° |
| O5 | C4 | N3 | H41 | 170.0° | 180.0° |
| N3 | C2 | C1 | C31 | 125.4° | 120.0° |
| N3 | C2 | C1 | H37 | 117.4° | 120.0° |
| N3 | C2 | C31 | C36 | 31.7° | 40.3° |
| N3 | C2 | C31 | H37 | 120.3° | 120.0° |
| N3 | C2 | C31 | C32 | 149.9° | 140.0° |
| N3 | C2 | C1 | H39 | 180.0° | 180.0° |
| N3 | C2 | C1 | H38 | 60.0° | 60.1° |
| N3 | C2 | C1 | H40 | 60.0° | 60.0° |
| C1 | C2 | C31 | C36 | 90.9° | 79.7° |
| C1 | C2 | C31 | H37 | 117.2° | 120.0° |
| C1 | C2 | C31 | C32 | 87.5° | 100.1° |
| C2 | C1 | H39 | H38 | 120.0° | 120.0° |
| C2 | C1 | H39 | H40 | 120.0° | 119.9° |
| C2 | C1 | H38 | H40 | 120.0° | 120.0° |
| C1 | C2 | N3 | H41 | 76.9° | 95.0° |
| C35 | C36 | C31 | H64 | 180.0° | 180.0° |
| C35 | C36 | C31 | C2 | 179.3° | 180.0° |
| C36 | C35 | C34 | H63 | 180.0° | 179.7° |
| C35 | C36 | C31 | C32 | 0.9° | 0.2° |
| C36 | C35 | C34 | C33 | 0.2° | 0.2° |
| C36 | C35 | C34 | H62 | 179.8° | 180.0° |
| C36 | C31 | C2 | C32 | 178.4° | 179.8° |
| C31 | C36 | C35 | C34 | 0.4° | 0.0° |
| C36 | C31 | C32 | C33 | 1.2° | 0.2° |
| C36 | C31 | C2 | H37 | 152.0° | 160.3° |
| C31 | C36 | C35 | H63 | 179.6° | 179.7° |
| C36 | C31 | C32 | H60 | 178.8° | 179.7° |
| C2 | C31 | C32 | C33 | 179.6° | 180.0° |
| C31 | C2 | C1 | H39 | 54.6° | 60.0° |
| C31 | C2 | C1 | H38 | 65.4° | 60.0° |
| C31 | C2 | C1 | H40 | 174.6° | 180.0° |
| C2 | C31 | C36 | H64 | 0.7° | 0.0° |
| C31 | C2 | N3 | H41 | 46.2° | 25.0° |
| C2 | C31 | C32 | H60 | 0.4° | 0.1° |
| C35 | C34 | C33 | H62 | 180.0° | 179.8° |
| C35 | C34 | C33 | C32 | 0.5° | 0.2° |
| C34 | C35 | C36 | H64 | 179.6° | 180.0° |
| C35 | C34 | C33 | H61 | 179.4° | 179.7° |
| C31 | C32 | C33 | C34 | 1.0° | 0.0° |
| C31 | C32 | C33 | H60 | 180.0° | 180.0° |
| C32 | C31 | C2 | H37 | 29.7° | 20.0° |
| C32 | C31 | C36 | H64 | 179.1° | 179.8° |
| C31 | C32 | C33 | H61 | 178.9° | 179.9° |
| C34 | C33 | C32 | H61 | 180.0° | 179.9° |
| C33 | C34 | C35 | H63 | 179.8° | 179.9° |
| C34 | C33 | C32 | H60 | 179.0° | 179.9° |
| C32 | C33 | C34 | H62 | 179.4° | 180.0° |
| H39 | C1 | H38 | H40 | 120.0° | 120.1° |
| H39 | C1 | C2 | H37 | 62.6° | 60.0° |
| H38 | C1 | C2 | H37 | 177.4° | 180.0° |
| H40 | C1 | C2 | H37 | 57.4° | 60.0° |
| H37 | C2 | N3 | H41 | 166.1° | 145.0° |
| H46 | C10 | C11 | H47 | 2.4° | 0.1° |
| H50 | C21 | C22 | H51 | 176.4° | 56.9° |
| H50 | C21 | C22 | H52 | 55.9° | 177.1° |
| H50 | C21 | C26 | H57 | 55.1° | 177.2° |
| H50 | C21 | C26 | H58 | 175.0° | 57.0° |
| H50 | C21 | N20 | H49 | 160.5° | 145.0° |
| H51 | C22 | C23 | H53 | 60.1° | 57.5° |
| H51 | C22 | C23 | H54 | 179.5° | 62.5° |
| H52 | C22 | C23 | H53 | 60.4° | 177.7° |
| H52 | C22 | C23 | H54 | 59.0° | 57.7° |
| H56 | C25 | C26 | H57 | 56.0° | 57.7° |
| H56 | C25 | C26 | H58 | 175.9° | 62.5° |
| H55 | C25 | C26 | H57 | 63.5° | 177.7° |
| H55 | C25 | C26 | H58 | 56.4° | 57.5° |
| H63 | C35 | C36 | H64 | 0.4° | 0.3° |
| H63 | C35 | C34 | H62 | 0.2° | 0.3° |
| H60 | C32 | C33 | H61 | 1.0° | 0.1° |
| H61 | C33 | C34 | H62 | 0.6° | 0.1° |
