IYM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | O10 | sing | 1.43Å | 1.40Å | |
| O10 | C9 | sing | 1.36Å | 1.41Å | |
| O3 | C2 | sing | 1.43Å | 1.41Å | |
| O3 | C4 | sing | 1.36Å | 1.41Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C9 | C4 | doub | 1.39Å | 1.42Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.42Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.45Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.43Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.36Å | Aromatic |
| C7 | C12 | sing | 1.51Å | 1.50Å | |
| C6 | C23 | sing | 1.51Å | 1.56Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C23 | N14 | sing | 1.47Å | 1.51Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C13 | N14 | sing | 1.47Å | 1.48Å | |
| N14 | C15 | sing | 1.35Å | 1.53Å | |
| C15 | O16 | doub | 1.22Å | 1.18Å | |
| C15 | N17 | sing | 1.35Å | 1.47Å | |
| C24 | C25 | sing | 1.53Å | 1.60Å | |
| C22 | N17 | sing | 1.47Å | 1.44Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| N17 | C18 | sing | 1.47Å | 1.45Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C21 | O20 | sing | 1.43Å | 1.41Å | |
| O20 | C19 | sing | 1.43Å | 1.40Å | |
| C25 | C26 | sing | 1.51Å | 1.59Å | |
| C26 | C27 | doub | 1.34Å | 1.40Å | Aromatic |
| C26 | C36 | sing | 1.47Å | 1.44Å | Aromatic |
| C27 | N28 | sing | 1.37Å | 1.34Å | Aromatic |
| C35 | C36 | doub | 1.40Å | 1.42Å | Aromatic |
| C35 | C32 | sing | 1.38Å | 1.42Å | Aromatic |
| C36 | C29 | sing | 1.41Å | 1.37Å | Aromatic |
| C34 | O33 | sing | 1.43Å | 1.41Å | |
| O33 | C32 | sing | 1.36Å | 1.40Å | |
| N28 | C29 | sing | 1.38Å | 1.36Å | Aromatic |
| C32 | C31 | doub | 1.39Å | 1.40Å | Aromatic |
| C29 | C30 | doub | 1.39Å | 1.44Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.08Å | 1.08Å | |
| C8 | H15 | sing | 1.08Å | 1.08Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| N28 | H281 | sing | 0.97Å | 1.00Å | |
| C30 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H30 | sing | 1.08Å | 1.08Å | |
| C34 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | O10 | C9 | 113.7° | 117.0° |
| O10 | C11 | H16 | 109.5° | 109.5° |
| O10 | C11 | H17 | 109.5° | 109.4° |
| O10 | C11 | H18 | 109.5° | 109.5° |
| O10 | C9 | C4 | 119.8° | 120.1° |
| O10 | C9 | C8 | 120.1° | 120.2° |
| C2 | O3 | C4 | 114.2° | 117.0° |
| O3 | C2 | C1 | 108.1° | 109.5° |
| O3 | C2 | H12 | 109.8° | 109.5° |
| O3 | C2 | H13 | 109.8° | 109.4° |
| O3 | C4 | C9 | 120.1° | 120.3° |
| O3 | C4 | C5 | 119.4° | 120.2° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C2 | C1 | H10 | 109.5° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C1 | C2 | H12 | 109.8° | 109.5° |
| C1 | C2 | H13 | 109.8° | 109.5° |
| C4 | C9 | C8 | 120.2° | 119.7° |
| C9 | C4 | C5 | 120.6° | 119.5° |
| C9 | C8 | C7 | 118.1° | 120.6° |
| C9 | C8 | H15 | 120.9° | 119.7° |
| C4 | C5 | C6 | 119.2° | 120.6° |
| C4 | C5 | H14 | 120.4° | 119.7° |
| C8 | C7 | C6 | 122.4° | 119.7° |
| C8 | C7 | C12 | 117.8° | 117.5° |
| C7 | C8 | H15 | 120.9° | 119.7° |
| C5 | C6 | C7 | 119.6° | 119.9° |
| C5 | C6 | C23 | 122.3° | 117.8° |
| C6 | C5 | H14 | 120.5° | 119.7° |
| C6 | C7 | C12 | 119.8° | 122.8° |
| C7 | C6 | C23 | 118.1° | 122.3° |
| C7 | C12 | C13 | 110.7° | 110.9° |
| C7 | C12 | H19 | 109.2° | 109.1° |
| C7 | C12 | H20 | 109.2° | 109.2° |
| C6 | C23 | N14 | 112.5° | 109.7° |
| C6 | C23 | C24 | 108.1° | 109.4° |
| C6 | C23 | H25 | 107.7° | 109.4° |
| C12 | C13 | N14 | 116.8° | 107.9° |
| C12 | C13 | H1 | 107.6° | 109.7° |
| C12 | C13 | H2 | 107.6° | 109.8° |
| C13 | C12 | H19 | 109.2° | 109.2° |
| C13 | C12 | H20 | 109.2° | 109.3° |
| N14 | C23 | C24 | 112.0° | 109.5° |
| C23 | N14 | C13 | 116.5° | 117.3° |
| C23 | N14 | C15 | 125.7° | 121.4° |
| N14 | C23 | H25 | 108.3° | 109.4° |
| C23 | C24 | C25 | 116.8° | 109.4° |
| C23 | C24 | H7 | 107.6° | 109.4° |
| C23 | C24 | H8 | 107.6° | 109.5° |
| C24 | C23 | H25 | 108.1° | 109.4° |
| C13 | N14 | C15 | 117.8° | 121.3° |
| N14 | C13 | H1 | 107.6° | 109.8° |
| N14 | C13 | H2 | 107.6° | 109.8° |
| N14 | C15 | O16 | 116.1° | 120.0° |
| N14 | C15 | N17 | 127.2° | 120.0° |
| O16 | C15 | N17 | 116.6° | 120.0° |
| C15 | N17 | C22 | 126.2° | 121.0° |
| C15 | N17 | C18 | 120.0° | 121.0° |
| C24 | C25 | C26 | 113.9° | 109.5° |
| C25 | C24 | H7 | 107.6° | 109.5° |
| C25 | C24 | H8 | 107.6° | 109.4° |
| C24 | C25 | H26 | 108.4° | 109.5° |
| C24 | C25 | H27 | 108.4° | 109.4° |
| N17 | C22 | C21 | 118.8° | 108.4° |
| C22 | N17 | C18 | 113.8° | 118.0° |
| N17 | C22 | H5 | 107.1° | 109.7° |
| N17 | C22 | H6 | 107.1° | 109.7° |
| C22 | C21 | O20 | 114.0° | 109.2° |
| C22 | C21 | H3 | 108.3° | 109.6° |
| C22 | C21 | H4 | 108.3° | 109.5° |
| C21 | C22 | H5 | 107.1° | 109.7° |
| C21 | C22 | H6 | 107.1° | 109.6° |
| N17 | C18 | C19 | 116.0° | 108.4° |
| N17 | C18 | H21 | 107.8° | 109.6° |
| N17 | C18 | H22 | 107.8° | 109.7° |
| C18 | C19 | O20 | 110.7° | 109.2° |
| C19 | C18 | H21 | 107.8° | 109.7° |
| C19 | C18 | H22 | 107.8° | 109.7° |
| C18 | C19 | H23 | 109.1° | 109.5° |
| C18 | C19 | H24 | 109.1° | 109.5° |
| C21 | O20 | C19 | 109.1° | 114.2° |
| O20 | C21 | H3 | 108.3° | 109.5° |
| O20 | C21 | H4 | 108.3° | 109.5° |
| O20 | C19 | H23 | 109.2° | 109.5° |
| O20 | C19 | H24 | 109.2° | 109.6° |
| C25 | C26 | C27 | 126.7° | 126.6° |
| C25 | C26 | C36 | 127.5° | 126.5° |
| C26 | C25 | H26 | 108.3° | 109.5° |
| C26 | C25 | H27 | 108.3° | 109.5° |
| C27 | C26 | C36 | 105.8° | 107.0° |
| C26 | C27 | N28 | 109.2° | 110.0° |
| C26 | C27 | H28 | 125.4° | 124.9° |
| C26 | C36 | C35 | 133.8° | 133.9° |
| C26 | C36 | C29 | 106.3° | 106.1° |
| C27 | N28 | C29 | 109.3° | 109.8° |
| N28 | C27 | H28 | 125.4° | 125.1° |
| C27 | N28 | H281 | 125.4° | 125.1° |
| C36 | C35 | C32 | 119.9° | 119.6° |
| C35 | C36 | C29 | 120.0° | 120.0° |
| C36 | C35 | H34 | 120.1° | 120.2° |
| C35 | C32 | O33 | 120.3° | 119.9° |
| C35 | C32 | C31 | 120.0° | 120.3° |
| C32 | C35 | H34 | 120.1° | 120.2° |
| C36 | C29 | N28 | 109.5° | 107.2° |
| C36 | C29 | C30 | 120.3° | 119.5° |
| C34 | O33 | C32 | 114.1° | 117.0° |
| O33 | C34 | H31 | 109.5° | 109.5° |
| O33 | C34 | H32 | 109.5° | 109.5° |
| O33 | C34 | H33 | 109.4° | 109.4° |
| O33 | C32 | C31 | 119.7° | 119.8° |
| N28 | C29 | C30 | 130.3° | 133.3° |
| C29 | N28 | H281 | 125.3° | 125.1° |
| C32 | C31 | C30 | 120.0° | 120.6° |
| C32 | C31 | H30 | 120.0° | 119.7° |
| C29 | C30 | C31 | 119.9° | 120.0° |
| C29 | C30 | H29 | 120.1° | 120.0° |
| C31 | C30 | H29 | 120.1° | 120.0° |
| C30 | C31 | H30 | 120.0° | 119.7° |
| H1 | C13 | H2 | 109.4° | 109.8° |
| H3 | C21 | H4 | 109.5° | 109.5° |
| H5 | C22 | H6 | 109.5° | 109.7° |
| H7 | C24 | H8 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.4° | 109.5° |
| H9 | C1 | H11 | 109.5° | 109.4° |
| H10 | C1 | H11 | 109.4° | 109.4° |
| H12 | C2 | H13 | 109.4° | 109.5° |
| H16 | C11 | H17 | 109.4° | 109.4° |
| H16 | C11 | H18 | 109.4° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| H19 | C12 | H20 | 109.4° | 109.1° |
| H21 | C18 | H22 | 109.4° | 109.7° |
| H23 | C19 | H24 | 109.5° | 109.5° |
| H26 | C25 | H27 | 109.5° | 109.5° |
| H31 | C34 | H32 | 109.4° | 109.5° |
| H31 | C34 | H33 | 109.5° | 109.5° |
| H32 | C34 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | O10 | C9 | C4 | 95.2° | 180.0° |
| C11 | O10 | C9 | C8 | 84.9° | 0.1° |
| O10 | C11 | H16 | H17 | 120.0° | 119.9° |
| O10 | C11 | H16 | H18 | 120.0° | 120.1° |
| O10 | C11 | H17 | H18 | 120.0° | 120.0° |
| O10 | C9 | C4 | O3 | 0.3° | 0.3° |
| O10 | C9 | C4 | C8 | 179.9° | 179.9° |
| O10 | C9 | C4 | C5 | 179.9° | 179.8° |
| O10 | C9 | C8 | C7 | 179.7° | 179.9° |
| O10 | C9 | C8 | H15 | 0.3° | 0.1° |
| C9 | O10 | C11 | H16 | 180.0° | 180.0° |
| C9 | O10 | C11 | H17 | 60.0° | 60.1° |
| C9 | O10 | C11 | H18 | 60.0° | 59.9° |
| O3 | C2 | C1 | H12 | 119.8° | 120.1° |
| O3 | C2 | C1 | H13 | 119.8° | 119.9° |
| C2 | O3 | C4 | C9 | 101.0° | 180.0° |
| C2 | O3 | C4 | C5 | 79.4° | 0.0° |
| O3 | C2 | C1 | H9 | 180.0° | 60.1° |
| O3 | C2 | C1 | H10 | 60.0° | 60.0° |
| O3 | C2 | C1 | H11 | 60.0° | 180.0° |
| O3 | C2 | H12 | H13 | 120.6° | 120.0° |
| C4 | O3 | C2 | C1 | 118.3° | 180.0° |
| O3 | C4 | C9 | C5 | 179.7° | 180.0° |
| O3 | C4 | C9 | C8 | 179.8° | 179.8° |
| O3 | C4 | C5 | C6 | 180.0° | 179.8° |
| C4 | O3 | C2 | H12 | 1.6° | 60.0° |
| C4 | O3 | C2 | H13 | 121.9° | 60.0° |
| O3 | C4 | C5 | H14 | 0.1° | 0.3° |
| C2 | C1 | H9 | H10 | 120.0° | 120.1° |
| C2 | C1 | H9 | H11 | 120.0° | 120.0° |
| C2 | C1 | H10 | H11 | 120.0° | 120.0° |
| C1 | C2 | H12 | H13 | 120.6° | 120.0° |
| C4 | C9 | C8 | C7 | 0.2° | 0.1° |
| C9 | C4 | C5 | C6 | 0.3° | 0.2° |
| C9 | C4 | C5 | H14 | 179.7° | 179.8° |
| C4 | C9 | C8 | H15 | 179.9° | 179.9° |
| C8 | C9 | C4 | C5 | 0.2° | 0.2° |
| C9 | C8 | C7 | H15 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.4° | 0.4° |
| C9 | C8 | C7 | C12 | 179.6° | 179.2° |
| C4 | C5 | C6 | H14 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.1° | 0.2° |
| C4 | C5 | C6 | C23 | 179.9° | 179.5° |
| C8 | C7 | C6 | C5 | 0.3° | 0.4° |
| C8 | C7 | C6 | C12 | 179.2° | 179.6° |
| C8 | C7 | C6 | C23 | 179.6° | 179.1° |
| C8 | C7 | C12 | C13 | 138.6° | 160.3° |
| C8 | C7 | C12 | H19 | 18.4° | 39.9° |
| C8 | C7 | C12 | H20 | 101.2° | 79.3° |
| C5 | C6 | C7 | C23 | 179.9° | 179.6° |
| C5 | C6 | C7 | C12 | 179.5° | 179.2° |
| C5 | C6 | C23 | N14 | 142.2° | 169.1° |
| C5 | C6 | C23 | C24 | 93.6° | 70.8° |
| C5 | C6 | C23 | H25 | 23.0° | 49.0° |
| C6 | C7 | C12 | C13 | 40.6° | 20.1° |
| C7 | C6 | C23 | N14 | 37.6° | 11.4° |
| C7 | C6 | C23 | C24 | 86.5° | 108.8° |
| C7 | C6 | C5 | H14 | 180.0° | 179.9° |
| C6 | C7 | C8 | H15 | 179.6° | 179.6° |
| C6 | C7 | C12 | H19 | 160.8° | 140.5° |
| C6 | C7 | C12 | H20 | 79.6° | 100.3° |
| C7 | C6 | C23 | H25 | 156.9° | 131.4° |
| C12 | C7 | C6 | C23 | 0.4° | 1.2° |
| C7 | C12 | C13 | H19 | 120.2° | 120.3° |
| C7 | C12 | C13 | H20 | 120.2° | 120.4° |
| C7 | C12 | C13 | N14 | 45.0° | 47.6° |
| C7 | C12 | C13 | H1 | 76.1° | 167.2° |
| C7 | C12 | C13 | H2 | 166.1° | 72.1° |
| C12 | C7 | C8 | H15 | 0.4° | 0.8° |
| C7 | C12 | H19 | H20 | 119.4° | 119.2° |
| C6 | C23 | N14 | C24 | 122.0° | 120.1° |
| C6 | C23 | N14 | H25 | 118.9° | 120.1° |
| C6 | C23 | C24 | H25 | 116.3° | 119.8° |
| C6 | C23 | N14 | C13 | 31.6° | 44.4° |
| C6 | C23 | N14 | C15 | 147.4° | 135.7° |
| C6 | C23 | C24 | C25 | 124.2° | 171.0° |
| C6 | C23 | C24 | H7 | 3.1° | 51.1° |
| C6 | C23 | C24 | H8 | 114.8° | 69.0° |
| C23 | C6 | C5 | H14 | 0.1° | 0.5° |
| C12 | C13 | N14 | C23 | 8.9° | 64.3° |
| C12 | C13 | N14 | H1 | 121.1° | 119.6° |
| C12 | C13 | N14 | H2 | 121.1° | 119.6° |
| C12 | C13 | N14 | C15 | 172.1° | 115.8° |
| C12 | C13 | H1 | H2 | 116.6° | 120.8° |
| C13 | C12 | H19 | H20 | 119.4° | 119.4° |
| N14 | C23 | C24 | H25 | 119.2° | 119.9° |
| C23 | N14 | C13 | C15 | 179.0° | 179.9° |
| C23 | N14 | C15 | O16 | 179.5° | 178.9° |
| C23 | N14 | C15 | N17 | 1.3° | 1.2° |
| N14 | C23 | C24 | C25 | 0.3° | 50.8° |
| C23 | N14 | C13 | H1 | 112.2° | 176.1° |
| C23 | N14 | C13 | H2 | 129.9° | 55.3° |
| N14 | C23 | C24 | H7 | 121.3° | 69.2° |
| N14 | C23 | C24 | H8 | 120.8° | 170.7° |
| C24 | C23 | N14 | C13 | 90.5° | 75.7° |
| C24 | C23 | N14 | C15 | 90.6° | 104.2° |
| C23 | C24 | C25 | H7 | 121.1° | 119.9° |
| C23 | C24 | C25 | H8 | 121.1° | 120.0° |
| C23 | C24 | C25 | C26 | 95.2° | 172.8° |
| C23 | C24 | H7 | H8 | 116.7° | 120.0° |
| C23 | C24 | C25 | H26 | 25.5° | 67.2° |
| C23 | C24 | C25 | H27 | 144.2° | 52.8° |
| C13 | N14 | C15 | O16 | 0.6° | 1.0° |
| C13 | N14 | C15 | N17 | 179.8° | 178.8° |
| N14 | C13 | H1 | H2 | 116.6° | 120.8° |
| N14 | C13 | C12 | H19 | 165.2° | 167.9° |
| N14 | C13 | C12 | H20 | 75.2° | 72.8° |
| C13 | N14 | C23 | H25 | 150.5° | 164.4° |
| N14 | C15 | O16 | N17 | 179.3° | 179.9° |
| N14 | C15 | N17 | C22 | 1.5° | 161.0° |
| N14 | C15 | N17 | C18 | 179.6° | 19.1° |
| C15 | N14 | C13 | H1 | 66.8° | 3.8° |
| C15 | N14 | C13 | H2 | 51.0° | 124.6° |
| C15 | N14 | C23 | H25 | 28.5° | 15.6° |
| O16 | C15 | N17 | C22 | 179.3° | 18.9° |
| O16 | C15 | N17 | C18 | 1.2° | 161.0° |
| C15 | N17 | C22 | C18 | 178.2° | 179.9° |
| C15 | N17 | C22 | C21 | 159.9° | 129.4° |
| C15 | N17 | C18 | C19 | 151.1° | 129.4° |
| C15 | N17 | C22 | H5 | 38.6° | 9.7° |
| C15 | N17 | C22 | H6 | 78.8° | 110.9° |
| C15 | N17 | C18 | H21 | 87.9° | 9.7° |
| C15 | N17 | C18 | H22 | 30.2° | 110.9° |
| C24 | C25 | C26 | H26 | 120.7° | 120.0° |
| C24 | C25 | C26 | H27 | 120.7° | 120.0° |
| C24 | C25 | C26 | C27 | 114.7° | 95.0° |
| C24 | C25 | C26 | C36 | 65.8° | 84.7° |
| C25 | C24 | H7 | H8 | 116.6° | 120.0° |
| C25 | C24 | C23 | H25 | 119.5° | 69.1° |
| C24 | C25 | H26 | H27 | 118.0° | 120.0° |
| N17 | C22 | C21 | H5 | 121.3° | 119.8° |
| N17 | C22 | C21 | H6 | 121.3° | 119.7° |
| C22 | N17 | C18 | C19 | 30.5° | 50.5° |
| N17 | C22 | C21 | O20 | 34.8° | 52.2° |
| N17 | C22 | C21 | H3 | 85.8° | 172.2° |
| N17 | C22 | C21 | H4 | 155.5° | 67.7° |
| N17 | C22 | H5 | H6 | 115.8° | 120.6° |
| C22 | N17 | C18 | H21 | 90.4° | 170.2° |
| C22 | N17 | C18 | H22 | 151.5° | 69.2° |
| C21 | C22 | N17 | C18 | 21.9° | 50.5° |
| C22 | C21 | O20 | H3 | 120.6° | 120.0° |
| C22 | C21 | O20 | H4 | 120.7° | 119.9° |
| C22 | C21 | O20 | C19 | 55.4° | 62.6° |
| C22 | C21 | H3 | H4 | 117.9° | 120.1° |
| C21 | C22 | H5 | H6 | 115.8° | 120.5° |
| N17 | C18 | C19 | H21 | 121.0° | 119.7° |
| N17 | C18 | C19 | H22 | 120.9° | 119.8° |
| N17 | C18 | C19 | O20 | 53.1° | 52.3° |
| C18 | N17 | C22 | H5 | 143.2° | 170.2° |
| C18 | N17 | C22 | H6 | 99.4° | 69.2° |
| N17 | C18 | H21 | H22 | 117.0° | 120.5° |
| N17 | C18 | C19 | H23 | 173.3° | 67.6° |
| N17 | C18 | C19 | H24 | 67.1° | 172.3° |
| C18 | C19 | O20 | C21 | 64.1° | 62.6° |
| C18 | C19 | O20 | H23 | 120.2° | 119.9° |
| C18 | C19 | O20 | H24 | 120.2° | 119.9° |
| C19 | C18 | H21 | H22 | 117.0° | 120.5° |
| C18 | C19 | H23 | H24 | 119.4° | 120.1° |
| O20 | C21 | H3 | H4 | 117.9° | 120.1° |
| O20 | C21 | C22 | H5 | 156.1° | 172.0° |
| O20 | C21 | C22 | H6 | 86.5° | 67.4° |
| C21 | O20 | C19 | H23 | 175.7° | 57.4° |
| C21 | O20 | C19 | H24 | 56.1° | 177.5° |
| C19 | O20 | C21 | H3 | 65.2° | 177.5° |
| C19 | O20 | C21 | H4 | 176.1° | 57.4° |
| O20 | C19 | C18 | H21 | 67.9° | 172.0° |
| O20 | C19 | C18 | H22 | 174.1° | 67.5° |
| O20 | C19 | H23 | H24 | 119.5° | 120.2° |
| C25 | C26 | C27 | C36 | 179.6° | 179.7° |
| C25 | C26 | C27 | N28 | 179.6° | 179.7° |
| C25 | C26 | C36 | C35 | 0.7° | 0.3° |
| C25 | C26 | C36 | C29 | 179.7° | 179.8° |
| C26 | C25 | C24 | H7 | 143.8° | 52.9° |
| C26 | C25 | C24 | H8 | 25.9° | 67.2° |
| C26 | C25 | H26 | H27 | 117.9° | 120.0° |
| C25 | C26 | C27 | H28 | 0.4° | 0.3° |
| C26 | C27 | N28 | H28 | 180.0° | 180.0° |
| C27 | C26 | C36 | C35 | 179.8° | 180.0° |
| C27 | C26 | C36 | C29 | 0.1° | 0.0° |
| C26 | C27 | N28 | C29 | 0.1° | 0.0° |
| C27 | C26 | C25 | H26 | 6.0° | 145.0° |
| C27 | C26 | C25 | H27 | 124.6° | 25.0° |
| C26 | C27 | N28 | H281 | 179.8° | 179.9° |
| C36 | C26 | C27 | N28 | 0.0° | 0.0° |
| C26 | C36 | C35 | C29 | 179.6° | 180.0° |
| C26 | C36 | C35 | C32 | 179.8° | 180.0° |
| C26 | C36 | C29 | N28 | 0.2° | 0.0° |
| C26 | C36 | C29 | C30 | 179.9° | 180.0° |
| C36 | C26 | C25 | H26 | 173.5° | 35.3° |
| C36 | C26 | C25 | H27 | 54.9° | 155.3° |
| C36 | C26 | C27 | H28 | 180.0° | 180.0° |
| C26 | C36 | C35 | H34 | 0.2° | 0.0° |
| C27 | N28 | C29 | C36 | 0.2° | 0.1° |
| C27 | N28 | C29 | H281 | 180.0° | 179.9° |
| C27 | N28 | C29 | C30 | 179.9° | 180.0° |
| C36 | C35 | C32 | H34 | 180.0° | 180.0° |
| C36 | C35 | C32 | O33 | 179.9° | 180.0° |
| C35 | C36 | C29 | N28 | 179.9° | 180.0° |
| C36 | C35 | C32 | C31 | 0.0° | 0.0° |
| C35 | C36 | C29 | C30 | 0.2° | 0.0° |
| C32 | C35 | C36 | C29 | 0.1° | 0.0° |
| C35 | C32 | O33 | C34 | 40.2° | 180.0° |
| C35 | C32 | O33 | C31 | 179.9° | 180.0° |
| C35 | C32 | C31 | C30 | 0.1° | 0.0° |
| C35 | C32 | C31 | H30 | 179.9° | 180.0° |
| C36 | C29 | N28 | C30 | 179.9° | 179.9° |
| C36 | C29 | C30 | C31 | 0.1° | 0.0° |
| C36 | C29 | N28 | H281 | 179.7° | 179.9° |
| C36 | C29 | C30 | H29 | 179.9° | 180.0° |
| C29 | C36 | C35 | H34 | 179.9° | 180.0° |
| C34 | O33 | C32 | C31 | 139.7° | 0.0° |
| O33 | C34 | H31 | H32 | 120.0° | 120.0° |
| O33 | C34 | H31 | H33 | 120.0° | 120.0° |
| O33 | C34 | H32 | H33 | 120.0° | 119.9° |
| O33 | C32 | C31 | C30 | 180.0° | 180.0° |
| O33 | C32 | C31 | H30 | 0.0° | 0.0° |
| C32 | O33 | C34 | H31 | 180.0° | 60.0° |
| C32 | O33 | C34 | H32 | 60.0° | 60.0° |
| C32 | O33 | C34 | H33 | 60.0° | 180.0° |
| O33 | C32 | C35 | H34 | 0.1° | 0.0° |
| N28 | C29 | C30 | C31 | 180.0° | 179.9° |
| C29 | N28 | C27 | H28 | 179.8° | 179.9° |
| N28 | C29 | C30 | H29 | 0.0° | 0.1° |
| C32 | C31 | C30 | C29 | 0.0° | 0.0° |
| C32 | C31 | C30 | H30 | 180.0° | 180.0° |
| C32 | C31 | C30 | H29 | 180.0° | 179.9° |
| C31 | C32 | C35 | H34 | 180.0° | 180.0° |
| C29 | C30 | C31 | H29 | 180.0° | 180.0° |
| C30 | C29 | N28 | H281 | 0.2° | 0.1° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| H1 | C13 | C12 | H19 | 44.1° | 72.5° |
| H1 | C13 | C12 | H20 | 163.7° | 46.8° |
| H2 | C13 | C12 | H19 | 73.7° | 48.2° |
| H2 | C13 | C12 | H20 | 45.9° | 167.5° |
| H3 | C21 | C22 | H5 | 35.5° | 68.0° |
| H3 | C21 | C22 | H6 | 152.9° | 52.5° |
| H4 | C21 | C22 | H5 | 83.2° | 52.1° |
| H4 | C21 | C22 | H6 | 34.2° | 172.6° |
| H7 | C24 | C23 | H25 | 119.4° | 170.9° |
| H7 | C24 | C25 | H26 | 95.6° | 172.9° |
| H7 | C24 | C25 | H27 | 23.1° | 67.1° |
| H8 | C24 | C23 | H25 | 1.6° | 50.8° |
| H8 | C24 | C25 | H26 | 146.5° | 52.8° |
| H8 | C24 | C25 | H27 | 94.8° | 172.8° |
| H9 | C1 | H10 | H11 | 120.0° | 119.9° |
| H9 | C1 | C2 | H12 | 60.2° | 60.0° |
| H9 | C1 | C2 | H13 | 60.2° | 180.0° |
| H10 | C1 | C2 | H12 | 179.8° | 180.0° |
| H10 | C1 | C2 | H13 | 59.8° | 60.0° |
| H11 | C1 | C2 | H12 | 59.8° | 60.0° |
| H11 | C1 | C2 | H13 | 179.8° | 60.0° |
| H16 | C11 | H17 | H18 | 119.9° | 120.0° |
| H21 | C18 | C19 | H23 | 52.3° | 52.1° |
| H21 | C18 | C19 | H24 | 172.0° | 68.0° |
| H22 | C18 | C19 | H23 | 65.8° | 172.6° |
| H22 | C18 | C19 | H24 | 53.9° | 52.5° |
| H28 | C27 | N28 | H281 | 0.2° | 0.0° |
| H29 | C30 | C31 | H30 | 0.0° | 0.0° |
| H31 | C34 | H32 | H33 | 120.0° | 120.0° |
