A1MCH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C15 | sing | 1.51Å | 1.67Å | |
| C17 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| C30 | N25 | sing | 1.47Å | 1.38Å | |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | F23 | sing | 1.35Å | 1.36Å | |
| C15 | C16 | sing | 1.54Å | 1.28Å | |
| C15 | C14 | sing | 1.55Å | 1.57Å | |
| C29 | N28 | sing | 1.47Å | 1.44Å | |
| C24 | C14 | sing | 1.53Å | 1.66Å | |
| C24 | N25 | sing | 1.47Å | 1.31Å | |
| C16 | N12 | sing | 1.47Å | 1.52Å | |
| C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.55Å | 1.32Å | |
| C33 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| N25 | C26 | sing | 1.47Å | 1.39Å | |
| N28 | C31 | sing | 1.40Å | 1.48Å | |
| N28 | C27 | sing | 1.47Å | 1.45Å | |
| C31 | C36 | doub | 1.39Å | 1.39Å | Aromatic |
| C34 | F37 | sing | 1.35Å | 1.36Å | |
| C34 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | N12 | sing | 1.47Å | 1.47Å | |
| C36 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| N12 | S09 | sing | 1.66Å | 1.20Å | |
| C26 | C27 | sing | 1.53Å | 1.55Å | |
| O10 | S09 | doub | 1.42Å | 1.66Å | |
| S09 | O11 | doub | 1.42Å | 1.65Å | |
| S09 | C08 | sing | 1.76Å | 1.85Å | |
| O02 | C01 | sing | 1.43Å | 1.41Å | |
| O02 | C03 | sing | 1.36Å | 1.40Å | |
| C08 | C03 | doub | 1.39Å | 1.40Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | N38 | sing | 1.48Å | 1.46Å | |
| O39 | N38 | sing | 1.22Å | 1.41Å | |
| N38 | O40 | doub | 1.22Å | 1.41Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.08Å | 1.08Å | |
| C06 | H14 | sing | 1.08Å | 1.08Å | |
| C07 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.08Å | 1.08Å | |
| C33 | H28 | sing | 1.08Å | 1.08Å | |
| C35 | H29 | sing | 1.08Å | 1.08Å | |
| C36 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C19 | C20 | 120.3° | 120.0° |
| C19 | C18 | C17 | 120.4° | 120.1° |
| C19 | C18 | H19 | 119.8° | 120.0° |
| C18 | C19 | H20 | 119.9° | 120.0° |
| C19 | C20 | C21 | 119.7° | 120.0° |
| C19 | C20 | H4 | 120.1° | 120.0° |
| C20 | C19 | H20 | 119.9° | 120.0° |
| C18 | C17 | C15 | 117.6° | 120.0° |
| C18 | C17 | C22 | 119.4° | 120.0° |
| C17 | C18 | H19 | 119.9° | 119.9° |
| C20 | C21 | C22 | 120.2° | 119.9° |
| C20 | C21 | F23 | 119.3° | 120.1° |
| C21 | C20 | H4 | 120.2° | 120.0° |
| C15 | C17 | C22 | 123.0° | 120.0° |
| C17 | C15 | C16 | 114.6° | 110.7° |
| C17 | C15 | C14 | 116.6° | 111.0° |
| C17 | C15 | H3 | 104.9° | 110.8° |
| C17 | C22 | C21 | 120.1° | 120.0° |
| C17 | C22 | H5 | 120.0° | 120.0° |
| C29 | C30 | N25 | 108.7° | 109.4° |
| C30 | C29 | N28 | 100.4° | 109.4° |
| C30 | C29 | H23 | 111.7° | 109.5° |
| C30 | C29 | H24 | 111.7° | 109.5° |
| C29 | C30 | H25 | 109.7° | 109.5° |
| C29 | C30 | H26 | 109.6° | 109.5° |
| C30 | N25 | C24 | 113.1° | 111.0° |
| C30 | N25 | C26 | 120.2° | 110.9° |
| N25 | C30 | H25 | 109.7° | 109.5° |
| N25 | C30 | H26 | 109.7° | 109.5° |
| C22 | C21 | F23 | 120.6° | 120.0° |
| C21 | C22 | H5 | 120.0° | 120.0° |
| C16 | C15 | C14 | 105.2° | 103.0° |
| C15 | C16 | N12 | 105.5° | 107.3° |
| C16 | C15 | H3 | 109.5° | 110.7° |
| C15 | C16 | H17 | 110.4° | 109.9° |
| C15 | C16 | H18 | 110.4° | 109.9° |
| C15 | C14 | C24 | 110.6° | 111.0° |
| C15 | C14 | C13 | 104.3° | 101.6° |
| C14 | C15 | H3 | 105.7° | 110.4° |
| C15 | C14 | H16 | 108.1° | 111.0° |
| C29 | N28 | C31 | 122.4° | 111.0° |
| C29 | N28 | C27 | 104.6° | 110.9° |
| N28 | C29 | H23 | 111.7° | 109.5° |
| N28 | C29 | H24 | 111.7° | 109.5° |
| C14 | C24 | N25 | 115.4° | 109.5° |
| C24 | C14 | C13 | 114.9° | 111.2° |
| C14 | C24 | H6 | 108.0° | 109.5° |
| C14 | C24 | H7 | 108.0° | 109.4° |
| C24 | C14 | H16 | 107.1° | 110.9° |
| C24 | N25 | C26 | 118.6° | 111.0° |
| N25 | C24 | H6 | 108.0° | 109.5° |
| N25 | C24 | H7 | 108.0° | 109.5° |
| C16 | N12 | C13 | 105.9° | 108.7° |
| C16 | N12 | S09 | 119.1° | 125.7° |
| N12 | C16 | H17 | 110.4° | 110.2° |
| N12 | C16 | H18 | 110.4° | 109.5° |
| C33 | C32 | C31 | 120.1° | 119.9° |
| C32 | C33 | C34 | 120.1° | 120.1° |
| C33 | C32 | H27 | 119.9° | 120.0° |
| C32 | C33 | H28 | 119.9° | 119.9° |
| C32 | C31 | N28 | 119.4° | 120.0° |
| C32 | C31 | C36 | 119.5° | 119.9° |
| C31 | C32 | H27 | 120.0° | 120.0° |
| C14 | C13 | N12 | 105.7° | 104.8° |
| C14 | C13 | H1 | 110.4° | 110.3° |
| C14 | C13 | H2 | 110.4° | 110.5° |
| C13 | C14 | H16 | 111.8° | 110.9° |
| C33 | C34 | F37 | 120.1° | 120.0° |
| C33 | C34 | C35 | 119.9° | 120.1° |
| C34 | C33 | H28 | 119.9° | 120.0° |
| N25 | C26 | C27 | 117.5° | 109.3° |
| N25 | C26 | H8 | 107.4° | 109.6° |
| N25 | C26 | H9 | 107.4° | 109.5° |
| C31 | N28 | C27 | 122.3° | 111.0° |
| N28 | C31 | C36 | 121.0° | 120.1° |
| N28 | C27 | C26 | 111.7° | 109.4° |
| N28 | C27 | H21 | 108.9° | 109.5° |
| N28 | C27 | H22 | 108.9° | 109.5° |
| C31 | C36 | C35 | 120.4° | 120.0° |
| C31 | C36 | H30 | 119.8° | 120.0° |
| F37 | C34 | C35 | 119.9° | 119.9° |
| C34 | C35 | C36 | 119.9° | 120.0° |
| C34 | C35 | H29 | 120.1° | 120.0° |
| C13 | N12 | S09 | 119.8° | 125.6° |
| N12 | C13 | H1 | 110.4° | 110.4° |
| N12 | C13 | H2 | 110.4° | 110.4° |
| C36 | C35 | H29 | 120.0° | 119.9° |
| C35 | C36 | H30 | 119.8° | 120.0° |
| N12 | S09 | O10 | 111.1° | 106.4° |
| N12 | S09 | O11 | 107.5° | 106.4° |
| N12 | S09 | C08 | 112.4° | 107.2° |
| C27 | C26 | H8 | 107.4° | 109.5° |
| C27 | C26 | H9 | 107.4° | 109.5° |
| C26 | C27 | H21 | 108.9° | 109.5° |
| C26 | C27 | H22 | 108.9° | 109.5° |
| O10 | S09 | O11 | 107.5° | 123.2° |
| O10 | S09 | C08 | 110.6° | 106.4° |
| O11 | S09 | C08 | 107.5° | 106.4° |
| S09 | C08 | C03 | 122.7° | 120.1° |
| S09 | C08 | C07 | 117.9° | 120.0° |
| C01 | O02 | C03 | 113.6° | 117.0° |
| O02 | C01 | H10 | 109.5° | 109.5° |
| O02 | C01 | H11 | 109.4° | 109.5° |
| O02 | C01 | H12 | 109.5° | 109.5° |
| O02 | C03 | C08 | 121.0° | 120.0° |
| O02 | C03 | C04 | 119.2° | 120.0° |
| C03 | C08 | C07 | 119.3° | 119.9° |
| C08 | C03 | C04 | 119.8° | 120.0° |
| C08 | C07 | C06 | 120.8° | 120.0° |
| C08 | C07 | H15 | 119.6° | 120.0° |
| C03 | C04 | C05 | 120.6° | 119.9° |
| C03 | C04 | H13 | 119.7° | 120.1° |
| C07 | C06 | C05 | 119.7° | 120.1° |
| C07 | C06 | H14 | 120.1° | 119.9° |
| C06 | C07 | H15 | 119.6° | 120.0° |
| C04 | C05 | C06 | 119.9° | 120.0° |
| C04 | C05 | N38 | 120.0° | 120.0° |
| C05 | C04 | H13 | 119.7° | 120.0° |
| C06 | C05 | N38 | 120.1° | 120.0° |
| C05 | C06 | H14 | 120.2° | 119.9° |
| C05 | N38 | O39 | 120.2° | 120.1° |
| C05 | N38 | O40 | 119.8° | 120.0° |
| O39 | N38 | O40 | 120.1° | 119.9° |
| H1 | C13 | H2 | 109.5° | 110.4° |
| H6 | C24 | H7 | 109.5° | 109.5° |
| H8 | C26 | H9 | 109.5° | 109.5° |
| H10 | C01 | H11 | 109.5° | 109.4° |
| H10 | C01 | H12 | 109.5° | 109.5° |
| H11 | C01 | H12 | 109.5° | 109.5° |
| H17 | C16 | H18 | 109.5° | 110.0° |
| H21 | C27 | H22 | 109.4° | 109.4° |
| H23 | C29 | H24 | 109.5° | 109.5° |
| H25 | C30 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C19 | C20 | H20 | 180.0° | 179.9° |
| C19 | C18 | C17 | H19 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.7° | 0.4° |
| C19 | C18 | C17 | C15 | 179.6° | 179.9° |
| C19 | C18 | C17 | C22 | 1.3° | 0.1° |
| C18 | C19 | C20 | H4 | 179.3° | 179.9° |
| C20 | C19 | C18 | C17 | 1.1° | 0.1° |
| C19 | C20 | C21 | H4 | 180.0° | 179.7° |
| C19 | C20 | C21 | C22 | 0.4° | 0.3° |
| C19 | C20 | C21 | F23 | 179.8° | 179.7° |
| C20 | C19 | C18 | H19 | 178.9° | 180.0° |
| C18 | C17 | C15 | C22 | 179.1° | 179.8° |
| C18 | C17 | C22 | C21 | 0.9° | 0.2° |
| C18 | C17 | C15 | C16 | 115.3° | 58.3° |
| C18 | C17 | C15 | C14 | 121.3° | 55.5° |
| C18 | C17 | C15 | H3 | 4.8° | 178.4° |
| C18 | C17 | C22 | H5 | 179.0° | 179.8° |
| C17 | C18 | C19 | H20 | 178.8° | 180.0° |
| C20 | C21 | C22 | C17 | 0.5° | 0.1° |
| C20 | C21 | C22 | F23 | 179.8° | 179.9° |
| C20 | C21 | C22 | H5 | 179.5° | 180.0° |
| C21 | C20 | C19 | H20 | 179.3° | 179.7° |
| C15 | C17 | C22 | C21 | 180.0° | 180.0° |
| C17 | C15 | C16 | C14 | 129.3° | 118.7° |
| C17 | C15 | C16 | H3 | 117.5° | 123.3° |
| C17 | C15 | C14 | H3 | 116.0° | 123.2° |
| C17 | C15 | C14 | C24 | 146.5° | 87.9° |
| C17 | C15 | C16 | N12 | 101.3° | 140.5° |
| C17 | C15 | C14 | C13 | 89.4° | 153.8° |
| C15 | C17 | C22 | H5 | 0.0° | 0.0° |
| C17 | C15 | C14 | H16 | 29.6° | 35.9° |
| C17 | C15 | C16 | H17 | 18.0° | 99.6° |
| C17 | C15 | C16 | H18 | 139.3° | 21.5° |
| C15 | C17 | C18 | H19 | 0.4° | 0.1° |
| C17 | C22 | C21 | H5 | 180.0° | 179.9° |
| C17 | C22 | C21 | F23 | 179.7° | 180.0° |
| C22 | C17 | C15 | C16 | 65.6° | 121.5° |
| C22 | C17 | C15 | C14 | 57.8° | 124.7° |
| C22 | C17 | C15 | H3 | 174.3° | 1.8° |
| C22 | C17 | C18 | H19 | 178.7° | 179.8° |
| C29 | C30 | N25 | H25 | 119.9° | 120.0° |
| C29 | C30 | N25 | H26 | 119.9° | 120.0° |
| C30 | C29 | N28 | H23 | 118.5° | 120.0° |
| C30 | C29 | N28 | H24 | 118.5° | 120.0° |
| C29 | C30 | N25 | C24 | 114.8° | 176.8° |
| C29 | C30 | N25 | C26 | 33.6° | 59.3° |
| C30 | C29 | N28 | C31 | 64.1° | 176.8° |
| C30 | C29 | N28 | C27 | 80.9° | 59.3° |
| C30 | C29 | H23 | H24 | 124.2° | 120.1° |
| C29 | C30 | H25 | H26 | 120.3° | 120.0° |
| N25 | C30 | C29 | N28 | 72.0° | 58.4° |
| C30 | N25 | C24 | C14 | 117.9° | 170.0° |
| C30 | N25 | C24 | C26 | 149.0° | 123.9° |
| C30 | N25 | C26 | C27 | 4.5° | 59.3° |
| C30 | N25 | C24 | H6 | 3.0° | 50.0° |
| C30 | N25 | C24 | H7 | 121.3° | 70.1° |
| C30 | N25 | C26 | H8 | 125.7° | 179.3° |
| C30 | N25 | C26 | H9 | 116.6° | 60.6° |
| N25 | C30 | C29 | H23 | 169.5° | 61.6° |
| N25 | C30 | C29 | H24 | 46.6° | 178.3° |
| N25 | C30 | H25 | H26 | 120.4° | 120.1° |
| C22 | C21 | C20 | H4 | 179.6° | 180.0° |
| F23 | C21 | C20 | H4 | 0.2° | 0.0° |
| F23 | C21 | C22 | H5 | 0.3° | 0.0° |
| C16 | C15 | C14 | H3 | 115.8° | 118.2° |
| C16 | C15 | C14 | C24 | 85.3° | 153.5° |
| C15 | C16 | N12 | H17 | 119.4° | 119.7° |
| C15 | C16 | N12 | H18 | 119.4° | 119.2° |
| C16 | C15 | C14 | C13 | 38.8° | 35.3° |
| C15 | C16 | N12 | C13 | 11.4° | 1.5° |
| C15 | C16 | N12 | S09 | 127.2° | 178.9° |
| C16 | C15 | C14 | H16 | 157.8° | 82.6° |
| C15 | C16 | H17 | H18 | 121.8° | 121.1° |
| C15 | C14 | C24 | C13 | 117.7° | 112.3° |
| C15 | C14 | C24 | H16 | 117.5° | 123.9° |
| C15 | C14 | C24 | N25 | 71.5° | 175.0° |
| C14 | C15 | C16 | N12 | 28.0° | 21.8° |
| C15 | C14 | C13 | H16 | 116.5° | 118.0° |
| C15 | C14 | C13 | N12 | 29.5° | 37.0° |
| C15 | C14 | C13 | H1 | 148.9° | 155.8° |
| C15 | C14 | C13 | H2 | 90.0° | 81.8° |
| C15 | C14 | C24 | H6 | 49.4° | 65.0° |
| C15 | C14 | C24 | H7 | 167.7° | 55.0° |
| C14 | C15 | C16 | H17 | 147.4° | 141.6° |
| C14 | C15 | C16 | H18 | 91.3° | 97.2° |
| C29 | N28 | C31 | C32 | 75.3° | 0.3° |
| C29 | N28 | C31 | C27 | 138.9° | 123.8° |
| C29 | N28 | C31 | C36 | 105.7° | 180.0° |
| C29 | N28 | C27 | C26 | 52.1° | 59.3° |
| C29 | N28 | C27 | H21 | 172.5° | 179.3° |
| C29 | N28 | C27 | H22 | 68.2° | 60.7° |
| N28 | C29 | H23 | H24 | 124.3° | 120.0° |
| N28 | C29 | C30 | H25 | 168.1° | 61.6° |
| N28 | C29 | C30 | H26 | 47.9° | 178.4° |
| C14 | C24 | N25 | H6 | 120.9° | 120.0° |
| C14 | C24 | N25 | H7 | 120.9° | 119.9° |
| C24 | C14 | C13 | H16 | 122.3° | 123.9° |
| C14 | C24 | N25 | C26 | 93.2° | 66.1° |
| C24 | C14 | C13 | N12 | 91.8° | 155.2° |
| C24 | C14 | C13 | H1 | 27.6° | 86.0° |
| C24 | C14 | C13 | H2 | 148.8° | 36.3° |
| C24 | C14 | C15 | H3 | 30.5° | 35.3° |
| C14 | C24 | H6 | H7 | 117.3° | 120.0° |
| N25 | C24 | C14 | C13 | 46.2° | 72.7° |
| C24 | N25 | C26 | C27 | 142.2° | 176.8° |
| N25 | C24 | H6 | H7 | 117.3° | 120.0° |
| C24 | N25 | C26 | H8 | 21.1° | 56.8° |
| C24 | N25 | C26 | H9 | 96.6° | 63.3° |
| N25 | C24 | C14 | H16 | 171.0° | 51.1° |
| C24 | N25 | C30 | H25 | 5.1° | 63.2° |
| C24 | N25 | C30 | H26 | 125.4° | 56.8° |
| C16 | N12 | C13 | C14 | 14.0° | 24.4° |
| C16 | N12 | C13 | S09 | 138.2° | 179.6° |
| C16 | N12 | S09 | O10 | 29.0° | 23.2° |
| C16 | N12 | S09 | O11 | 88.4° | 156.1° |
| C16 | N12 | S09 | C08 | 153.5° | 90.4° |
| C16 | N12 | C13 | H1 | 133.4° | 143.2° |
| C16 | N12 | C13 | H2 | 105.4° | 94.5° |
| N12 | C16 | C15 | H3 | 141.2° | 96.2° |
| N12 | C16 | H17 | H18 | 121.8° | 120.8° |
| C33 | C32 | C31 | H27 | 180.0° | 179.9° |
| C32 | C33 | C34 | H28 | 180.0° | 179.9° |
| C33 | C32 | C31 | N28 | 179.9° | 179.7° |
| C33 | C32 | C31 | C36 | 1.0° | 0.0° |
| C32 | C33 | C34 | F37 | 179.8° | 180.0° |
| C32 | C33 | C34 | C35 | 0.2° | 0.0° |
| C31 | C32 | C33 | C34 | 0.6° | 0.0° |
| C32 | C31 | N28 | C36 | 178.9° | 179.8° |
| C32 | C31 | N28 | C27 | 145.7° | 124.1° |
| C32 | C31 | C36 | C35 | 0.9° | 0.0° |
| C31 | C32 | C33 | H28 | 179.4° | 179.9° |
| C32 | C31 | C36 | H30 | 179.1° | 179.9° |
| C14 | C13 | N12 | H1 | 119.4° | 118.8° |
| C14 | C13 | N12 | H2 | 119.4° | 118.9° |
| C14 | C13 | N12 | S09 | 152.2° | 155.9° |
| C14 | C13 | H1 | H2 | 121.7° | 122.4° |
| C13 | C14 | C15 | H3 | 154.6° | 83.0° |
| C13 | C14 | C24 | H6 | 167.1° | 47.3° |
| C13 | C14 | C24 | H7 | 74.6° | 167.3° |
| C33 | C34 | F37 | C35 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.2° | 0.0° |
| C34 | C33 | C32 | H27 | 179.4° | 179.9° |
| C33 | C34 | C35 | H29 | 179.8° | 180.0° |
| N25 | C26 | C27 | N28 | 13.0° | 58.4° |
| N25 | C26 | C27 | H8 | 121.1° | 120.0° |
| N25 | C26 | C27 | H9 | 121.1° | 119.9° |
| C26 | N25 | C24 | H6 | 146.0° | 173.8° |
| C26 | N25 | C24 | H7 | 27.7° | 53.8° |
| N25 | C26 | H8 | H9 | 116.4° | 120.1° |
| N25 | C26 | C27 | H21 | 133.4° | 178.3° |
| N25 | C26 | C27 | H22 | 107.4° | 61.7° |
| C26 | N25 | C30 | H25 | 153.5° | 60.7° |
| C26 | N25 | C30 | H26 | 86.2° | 179.3° |
| N28 | C31 | C36 | C35 | 179.9° | 179.7° |
| C31 | N28 | C27 | C26 | 92.9° | 176.8° |
| C31 | N28 | C27 | H21 | 27.4° | 56.8° |
| C31 | N28 | C27 | H22 | 146.7° | 63.2° |
| C31 | N28 | C29 | H23 | 54.4° | 63.2° |
| C31 | N28 | C29 | H24 | 177.4° | 56.8° |
| N28 | C31 | C32 | H27 | 0.1° | 0.3° |
| N28 | C31 | C36 | H30 | 0.1° | 0.2° |
| C27 | N28 | C31 | C36 | 33.2° | 56.1° |
| N28 | C27 | C26 | H21 | 120.4° | 120.0° |
| N28 | C27 | C26 | H22 | 120.4° | 120.0° |
| N28 | C27 | C26 | H8 | 134.1° | 178.4° |
| N28 | C27 | C26 | H9 | 108.1° | 61.6° |
| N28 | C27 | H21 | H22 | 119.0° | 120.0° |
| C27 | N28 | C29 | H23 | 160.6° | 60.7° |
| C27 | N28 | C29 | H24 | 37.6° | 179.3° |
| C31 | C36 | C35 | C34 | 0.6° | 0.0° |
| C31 | C36 | C35 | H30 | 180.0° | 179.9° |
| C36 | C31 | C32 | H27 | 179.0° | 179.9° |
| C31 | C36 | C35 | H29 | 179.4° | 180.0° |
| F37 | C34 | C35 | C36 | 179.8° | 180.0° |
| F37 | C34 | C33 | H28 | 0.2° | 0.0° |
| F37 | C34 | C35 | H29 | 0.2° | 0.0° |
| C34 | C35 | C36 | H29 | 180.0° | 180.0° |
| C35 | C34 | C33 | H28 | 179.8° | 179.9° |
| C34 | C35 | C36 | H30 | 179.5° | 179.9° |
| C13 | N12 | S09 | O10 | 103.9° | 156.4° |
| C13 | N12 | S09 | O11 | 138.8° | 23.5° |
| C13 | N12 | S09 | C08 | 20.7° | 90.1° |
| N12 | C13 | H1 | H2 | 121.7° | 122.3° |
| N12 | C13 | C14 | H16 | 146.0° | 81.0° |
| C13 | N12 | C16 | H17 | 130.8° | 118.2° |
| C13 | N12 | C16 | H18 | 108.0° | 120.7° |
| N12 | S09 | O10 | O11 | 117.4° | 123.0° |
| N12 | S09 | O10 | C08 | 125.6° | 114.1° |
| N12 | S09 | O11 | C08 | 121.2° | 114.1° |
| N12 | S09 | C08 | C03 | 100.7° | 65.0° |
| N12 | S09 | C08 | C07 | 82.0° | 115.0° |
| S09 | N12 | C13 | H1 | 88.4° | 37.2° |
| S09 | N12 | C13 | H2 | 32.8° | 85.1° |
| S09 | N12 | C16 | H17 | 7.8° | 61.5° |
| S09 | N12 | C16 | H18 | 113.4° | 59.6° |
| C27 | C26 | H8 | H9 | 116.4° | 120.0° |
| C26 | C27 | H21 | H22 | 118.9° | 120.1° |
| O10 | S09 | O11 | C08 | 119.0° | 123.0° |
| O10 | S09 | C08 | C03 | 24.2° | 178.5° |
| O10 | S09 | C08 | C07 | 153.2° | 1.5° |
| O11 | S09 | C08 | C03 | 141.2° | 48.5° |
| O11 | S09 | C08 | C07 | 36.1° | 131.5° |
| S09 | C08 | C03 | O02 | 2.6° | 0.3° |
| S09 | C08 | C03 | C07 | 177.3° | 180.0° |
| S09 | C08 | C03 | C04 | 179.7° | 180.0° |
| S09 | C08 | C07 | C06 | 179.4° | 180.0° |
| S09 | C08 | C07 | H15 | 0.6° | 0.1° |
| C01 | O02 | C03 | C08 | 167.5° | 179.7° |
| C01 | O02 | C03 | C04 | 10.2° | 0.0° |
| O02 | C01 | H10 | H11 | 120.0° | 120.0° |
| O02 | C01 | H10 | H12 | 120.0° | 120.0° |
| O02 | C01 | H11 | H12 | 120.0° | 120.0° |
| O02 | C03 | C08 | C04 | 177.7° | 179.7° |
| O02 | C03 | C08 | C07 | 179.9° | 179.7° |
| O02 | C03 | C04 | C05 | 179.4° | 179.7° |
| C03 | O02 | C01 | H10 | 180.0° | 60.0° |
| C03 | O02 | C01 | H11 | 60.0° | 59.9° |
| C03 | O02 | C01 | H12 | 60.0° | 180.0° |
| O02 | C03 | C04 | H13 | 0.6° | 0.2° |
| C03 | C08 | C07 | C06 | 2.0° | 0.0° |
| C08 | C03 | C04 | C05 | 1.7° | 0.1° |
| C08 | C03 | C04 | H13 | 178.3° | 179.9° |
| C03 | C08 | C07 | H15 | 178.0° | 179.9° |
| C07 | C08 | C03 | C04 | 2.4° | 0.0° |
| C08 | C07 | C06 | H15 | 180.0° | 179.9° |
| C08 | C07 | C06 | C05 | 0.8° | 0.1° |
| C08 | C07 | C06 | H14 | 179.2° | 180.0° |
| C03 | C04 | C05 | H13 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.5° | 0.1° |
| C03 | C04 | C05 | N38 | 179.4° | 180.0° |
| C07 | C06 | C05 | C04 | 0.1° | 0.2° |
| C07 | C06 | C05 | H14 | 180.0° | 179.8° |
| C07 | C06 | C05 | N38 | 179.8° | 180.0° |
| C04 | C05 | C06 | N38 | 179.9° | 179.8° |
| C04 | C05 | N38 | O39 | 61.6° | 179.9° |
| C04 | C05 | N38 | O40 | 118.3° | 0.1° |
| C04 | C05 | C06 | H14 | 180.0° | 180.0° |
| C06 | C05 | N38 | O39 | 118.6° | 0.1° |
| C06 | C05 | N38 | O40 | 61.5° | 179.9° |
| C06 | C05 | C04 | H13 | 179.5° | 180.0° |
| C05 | C06 | C07 | H15 | 179.2° | 180.0° |
| C05 | N38 | O39 | O40 | 179.9° | 180.0° |
| N38 | C05 | C04 | H13 | 0.6° | 0.1° |
| N38 | C05 | C06 | H14 | 0.2° | 0.1° |
| H1 | C13 | C14 | H16 | 94.6° | 37.8° |
| H2 | C13 | C14 | H16 | 26.5° | 160.2° |
| H3 | C15 | C14 | H16 | 86.4° | 159.1° |
| H3 | C15 | C16 | H17 | 99.4° | 23.6° |
| H3 | C15 | C16 | H18 | 21.9° | 144.8° |
| H4 | C20 | C19 | H20 | 0.7° | 0.0° |
| H6 | C24 | C14 | H16 | 68.1° | 171.2° |
| H7 | C24 | C14 | H16 | 50.2° | 68.8° |
| H8 | C26 | C27 | H21 | 105.5° | 61.6° |
| H8 | C26 | C27 | H22 | 13.8° | 58.4° |
| H9 | C26 | C27 | H21 | 12.2° | 58.4° |
| H9 | C26 | C27 | H22 | 131.5° | 178.4° |
| H10 | C01 | H11 | H12 | 120.0° | 120.0° |
| H14 | C06 | C07 | H15 | 0.8° | 0.1° |
| H19 | C18 | C19 | H20 | 1.2° | 0.1° |
| H23 | C29 | C30 | H25 | 49.6° | 178.5° |
| H23 | C29 | C30 | H26 | 70.6° | 58.4° |
| H24 | C29 | C30 | H25 | 73.3° | 58.4° |
| H24 | C29 | C30 | H26 | 166.5° | 61.7° |
| H27 | C32 | C33 | H28 | 0.6° | 0.0° |
| H29 | C35 | C36 | H30 | 0.6° | 0.1° |
