4MK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | O4 | sing | 1.43Å | 1.45Å | |
| O4 | C5 | sing | 1.36Å | 1.41Å | |
| C5 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.41Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.56Å | |
| C7 | C14 | doub | 1.38Å | 1.42Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.57Å | |
| C8 | C13 | sing | 1.53Å | 1.57Å | |
| C9 | C10 | sing | 1.53Å | 1.56Å | |
| C10 | N11 | sing | 1.47Å | 1.49Å | |
| N11 | C12 | sing | 1.47Å | 1.49Å | |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| C14 | C15 | sing | 1.51Å | 1.54Å | |
| C14 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| C17 | N18 | sing | 1.40Å | 1.37Å | |
| N18 | C19 | sing | 1.39Å | 1.35Å | |
| C19 | N20 | doub | 1.32Å | 1.36Å | Aromatic |
| C19 | N38 | sing | 1.32Å | 1.34Å | Aromatic |
| N20 | C21 | sing | 1.33Å | 1.35Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | CL1 | sing | 1.73Å | 1.74Å | |
| C22 | C24 | sing | 1.40Å | 1.40Å | Aromatic |
| C24 | N25 | sing | 1.39Å | 1.37Å | |
| C24 | N38 | doub | 1.33Å | 1.34Å | Aromatic |
| N25 | C26 | sing | 1.40Å | 1.38Å | |
| C26 | C27 | doub | 1.39Å | 1.42Å | Aromatic |
| C26 | C31 | sing | 1.39Å | 1.43Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.42Å | Aromatic |
| C31 | S32 | sing | 1.76Å | 1.79Å | |
| S32 | O33 | doub | 1.42Å | 1.46Å | |
| S32 | O34 | doub | 1.42Å | 1.46Å | |
| S32 | C35 | sing | 1.81Å | 1.82Å | |
| C35 | C36 | sing | 1.53Å | 1.55Å | |
| C35 | C37 | sing | 1.53Å | 1.55Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C3 | H3B | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| N11 | HN11 | sing | 1.01Å | 1.00Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| N18 | HN18 | sing | 0.97Å | 1.00Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| N25 | HN25 | sing | 0.97Å | 1.00Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C36 | H36B | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C37 | H37B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 111.3° | 109.5° |
| C1 | C2 | O4 | 106.0° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C1 | C2 | H2 | 108.8° | 109.5° |
| C3 | C2 | O4 | 111.6° | 109.5° |
| C3 | C2 | H2 | 108.8° | 109.5° |
| C2 | C3 | H3 | 109.5° | 109.5° |
| C2 | C3 | H3A | 109.5° | 109.5° |
| C2 | C3 | H3B | 109.4° | 109.5° |
| C2 | O4 | C5 | 126.2° | 117.0° |
| O4 | C2 | H2 | 110.3° | 109.4° |
| O4 | C5 | C6 | 124.5° | 120.1° |
| O4 | C5 | C17 | 116.2° | 120.1° |
| C6 | C5 | C17 | 119.3° | 119.9° |
| C5 | C6 | C7 | 122.4° | 120.0° |
| C5 | C6 | H6 | 118.8° | 120.0° |
| C5 | C17 | C16 | 118.8° | 119.8° |
| C5 | C17 | N18 | 116.4° | 120.1° |
| C6 | C7 | C8 | 119.1° | 119.9° |
| C6 | C7 | C14 | 118.4° | 120.2° |
| C7 | C6 | H6 | 118.8° | 120.0° |
| C8 | C7 | C14 | 122.4° | 119.9° |
| C7 | C8 | C9 | 115.6° | 109.5° |
| C7 | C8 | C13 | 110.7° | 109.5° |
| C7 | C8 | H8 | 105.7° | 109.5° |
| C7 | C14 | C15 | 123.7° | 119.9° |
| C7 | C14 | C16 | 118.8° | 120.2° |
| C9 | C8 | C13 | 112.7° | 109.2° |
| C8 | C9 | C10 | 110.0° | 109.3° |
| C9 | C8 | H8 | 105.6° | 109.5° |
| C8 | C9 | H9 | 109.3° | 109.5° |
| C8 | C9 | H9A | 109.3° | 109.5° |
| C8 | C13 | C12 | 111.6° | 109.3° |
| C13 | C8 | H8 | 105.6° | 109.6° |
| C8 | C13 | H13 | 109.0° | 109.5° |
| C8 | C13 | H13A | 108.9° | 109.5° |
| C9 | C10 | N11 | 110.1° | 109.5° |
| C10 | C9 | H9 | 109.3° | 109.5° |
| C10 | C9 | H9A | 109.3° | 109.5° |
| C9 | C10 | H10 | 109.3° | 109.5° |
| C9 | C10 | H10A | 109.3° | 109.5° |
| C10 | N11 | C12 | 117.1° | 111.1° |
| N11 | C10 | H10 | 109.3° | 109.5° |
| N11 | C10 | H10A | 109.3° | 109.4° |
| C10 | N11 | HN11 | 107.5° | 111.0° |
| N11 | C12 | C13 | 109.5° | 109.6° |
| C12 | N11 | HN11 | 107.6° | 111.0° |
| N11 | C12 | H12 | 109.5° | 109.5° |
| N11 | C12 | H12A | 109.5° | 109.4° |
| C13 | C12 | H12 | 109.5° | 109.5° |
| C13 | C12 | H12A | 109.5° | 109.4° |
| C12 | C13 | H13 | 108.9° | 109.5° |
| C12 | C13 | H13A | 109.0° | 109.5° |
| C15 | C14 | C16 | 117.4° | 119.9° |
| C14 | C15 | H15 | 109.5° | 109.5° |
| C14 | C15 | H15A | 109.4° | 109.5° |
| C14 | C15 | H15B | 109.5° | 109.5° |
| C14 | C16 | C17 | 122.3° | 119.9° |
| C14 | C16 | H16 | 118.9° | 120.0° |
| C16 | C17 | N18 | 124.7° | 120.0° |
| C17 | C16 | H16 | 118.9° | 120.0° |
| C17 | N18 | C19 | 127.5° | 120.0° |
| C17 | N18 | HN18 | 116.3° | 120.0° |
| N18 | C19 | N20 | 122.3° | 119.2° |
| N18 | C19 | N38 | 118.7° | 119.2° |
| C19 | N18 | HN18 | 116.2° | 120.0° |
| N20 | C19 | N38 | 119.0° | 121.7° |
| C19 | N20 | C21 | 120.3° | 120.9° |
| C19 | N38 | C24 | 124.8° | 120.6° |
| N20 | C21 | C22 | 119.6° | 119.3° |
| N20 | C21 | H21 | 120.2° | 120.3° |
| C21 | C22 | CL1 | 120.3° | 120.8° |
| C21 | C22 | C24 | 119.7° | 118.4° |
| C22 | C21 | H21 | 120.2° | 120.3° |
| CL1 | C22 | C24 | 120.0° | 120.8° |
| C22 | C24 | N25 | 122.0° | 120.5° |
| C22 | C24 | N38 | 116.4° | 119.1° |
| N25 | C24 | N38 | 121.6° | 120.5° |
| C24 | N25 | C26 | 128.3° | 120.0° |
| C24 | N25 | HN25 | 115.8° | 120.0° |
| N25 | C26 | C27 | 121.9° | 120.0° |
| N25 | C26 | C31 | 120.4° | 120.1° |
| C26 | N25 | HN25 | 115.9° | 120.0° |
| C27 | C26 | C31 | 117.5° | 119.8° |
| C26 | C27 | C28 | 121.9° | 119.9° |
| C26 | C27 | H27 | 119.0° | 120.1° |
| C26 | C31 | C30 | 119.7° | 120.0° |
| C26 | C31 | S32 | 122.7° | 120.0° |
| C27 | C28 | C29 | 120.1° | 120.0° |
| C28 | C27 | H27 | 119.1° | 120.0° |
| C27 | C28 | H28 | 120.0° | 120.0° |
| C28 | C29 | C30 | 119.0° | 120.2° |
| C29 | C28 | H28 | 120.0° | 120.0° |
| C28 | C29 | H29 | 120.5° | 119.9° |
| C29 | C30 | C31 | 121.6° | 120.1° |
| C30 | C29 | H29 | 120.5° | 120.0° |
| C29 | C30 | H30 | 119.2° | 120.0° |
| C30 | C31 | S32 | 117.4° | 120.0° |
| C31 | C30 | H30 | 119.2° | 120.0° |
| C31 | S32 | O33 | 110.7° | 104.3° |
| C31 | S32 | O34 | 107.7° | 104.3° |
| C31 | S32 | C35 | 106.1° | 104.5° |
| O33 | S32 | O34 | 113.5° | 121.0° |
| O33 | S32 | C35 | 108.2° | 110.5° |
| O34 | S32 | C35 | 110.4° | 110.6° |
| S32 | C35 | C36 | 109.7° | 109.5° |
| S32 | C35 | C37 | 114.1° | 109.4° |
| S32 | C35 | H35 | 104.5° | 109.5° |
| C36 | C35 | C37 | 113.8° | 109.4° |
| C36 | C35 | H35 | 107.0° | 109.5° |
| C35 | C36 | H36 | 109.5° | 109.5° |
| C35 | C36 | H36A | 109.5° | 109.5° |
| C35 | C36 | H36B | 109.5° | 109.4° |
| C37 | C35 | H35 | 107.0° | 109.5° |
| C35 | C37 | H37 | 109.5° | 109.5° |
| C35 | C37 | H37A | 109.4° | 109.5° |
| C35 | C37 | H37B | 109.5° | 109.5° |
| H1 | C1 | H1A | 109.4° | 109.4° |
| H1 | C1 | H1B | 109.5° | 109.6° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| H3 | C3 | H3A | 109.5° | 109.5° |
| H3 | C3 | H3B | 109.5° | 109.4° |
| H3A | C3 | H3B | 109.5° | 109.5° |
| H9 | C9 | H9A | 109.5° | 109.5° |
| H10 | C10 | H10A | 109.5° | 109.5° |
| H12 | C12 | H12A | 109.5° | 109.4° |
| H13 | C13 | H13A | 109.5° | 109.5° |
| H15 | C15 | H15A | 109.5° | 109.4° |
| H15 | C15 | H15B | 109.5° | 109.5° |
| H15A | C15 | H15B | 109.4° | 109.5° |
| H36 | C36 | H36A | 109.5° | 109.5° |
| H36 | C36 | H36B | 109.5° | 109.4° |
| H36A | C36 | H36B | 109.5° | 109.5° |
| H37 | C37 | H37A | 109.5° | 109.5° |
| H37 | C37 | H37B | 109.4° | 109.5° |
| H37A | C37 | H37B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | O4 | 118.2° | 120.0° |
| C1 | C2 | C3 | H2 | 119.9° | 120.0° |
| C1 | C2 | O4 | H2 | 117.6° | 120.0° |
| C1 | C2 | O4 | C5 | 162.9° | 152.8° |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C2 | C3 | H3 | 180.0° | 60.0° |
| C1 | C2 | C3 | H3A | 60.0° | 180.0° |
| C1 | C2 | C3 | H3B | 60.0° | 60.0° |
| C3 | C2 | O4 | H2 | 121.0° | 120.0° |
| C3 | C2 | O4 | C5 | 75.8° | 87.2° |
| C3 | C2 | C1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H1A | 60.0° | 180.0° |
| C3 | C2 | C1 | H1B | 60.0° | 60.0° |
| C2 | C3 | H3 | H3A | 120.0° | 120.0° |
| C2 | C3 | H3 | H3B | 120.0° | 120.0° |
| C2 | C3 | H3A | H3B | 120.0° | 120.0° |
| C2 | O4 | C5 | C6 | 7.5° | 5.6° |
| C2 | O4 | C5 | C17 | 172.3° | 174.7° |
| O4 | C2 | C1 | H1 | 58.4° | 179.9° |
| O4 | C2 | C1 | H1A | 61.5° | 60.0° |
| O4 | C2 | C1 | H1B | 178.5° | 60.0° |
| O4 | C2 | C3 | H3 | 61.8° | 60.0° |
| O4 | C2 | C3 | H3A | 178.2° | 60.0° |
| O4 | C2 | C3 | H3B | 58.2° | 180.0° |
| O4 | C5 | C6 | C17 | 179.8° | 179.7° |
| O4 | C5 | C6 | C7 | 178.2° | 180.0° |
| O4 | C5 | C17 | C16 | 179.1° | 179.8° |
| O4 | C5 | C17 | N18 | 0.9° | 0.1° |
| C5 | O4 | C2 | H2 | 45.2° | 32.8° |
| O4 | C5 | C6 | H6 | 1.8° | 0.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 179.5° | 180.0° |
| C5 | C6 | C7 | C14 | 2.8° | 0.0° |
| C6 | C5 | C17 | C16 | 0.7° | 0.5° |
| C6 | C5 | C17 | N18 | 178.9° | 179.8° |
| C17 | C5 | C6 | C7 | 2.0° | 0.3° |
| C5 | C17 | C16 | C14 | 2.6° | 0.5° |
| C5 | C17 | C16 | N18 | 178.1° | 179.7° |
| C5 | C17 | N18 | C19 | 153.6° | 152.4° |
| C17 | C5 | C6 | H6 | 178.0° | 179.7° |
| C5 | C17 | C16 | H16 | 177.4° | 179.7° |
| C5 | C17 | N18 | HN18 | 26.4° | 27.4° |
| C6 | C7 | C8 | C14 | 176.5° | 180.0° |
| C6 | C7 | C8 | C9 | 41.9° | 56.5° |
| C6 | C7 | C8 | C13 | 87.8° | 63.2° |
| C6 | C7 | C14 | C15 | 179.5° | 180.0° |
| C6 | C7 | C14 | C16 | 0.9° | 0.1° |
| C6 | C7 | C8 | H8 | 158.3° | 176.6° |
| C7 | C8 | C9 | C13 | 128.7° | 119.9° |
| C7 | C8 | C9 | H8 | 116.5° | 120.1° |
| C7 | C8 | C13 | H8 | 114.0° | 120.2° |
| C7 | C8 | C9 | C10 | 178.8° | 177.6° |
| C7 | C8 | C13 | C12 | 176.6° | 177.5° |
| C8 | C7 | C14 | C15 | 4.0° | 0.0° |
| C8 | C7 | C14 | C16 | 177.5° | 179.9° |
| C8 | C7 | C6 | H6 | 0.5° | 0.0° |
| C7 | C8 | C9 | H9 | 58.7° | 62.5° |
| C7 | C8 | C9 | H9A | 61.1° | 57.6° |
| C7 | C8 | C13 | H13 | 63.1° | 57.6° |
| C7 | C8 | C13 | H13A | 56.2° | 62.5° |
| C14 | C7 | C8 | C9 | 141.6° | 123.5° |
| C14 | C7 | C8 | C13 | 88.8° | 116.8° |
| C7 | C14 | C15 | C16 | 178.6° | 180.0° |
| C7 | C14 | C16 | C17 | 1.7° | 0.2° |
| C14 | C7 | C6 | H6 | 177.2° | 180.0° |
| C14 | C7 | C8 | H8 | 25.2° | 3.4° |
| C7 | C14 | C15 | H15 | 90.8° | 82.7° |
| C7 | C14 | C15 | H15A | 149.2° | 157.4° |
| C7 | C14 | C15 | H15B | 29.2° | 37.3° |
| C7 | C14 | C16 | H16 | 178.2° | 180.0° |
| C9 | C8 | C13 | H8 | 114.8° | 119.9° |
| C8 | C9 | C10 | H9 | 120.1° | 119.9° |
| C8 | C9 | C10 | H9A | 120.1° | 120.0° |
| C8 | C9 | C10 | N11 | 52.8° | 59.2° |
| C9 | C8 | C13 | C12 | 52.2° | 57.7° |
| C8 | C9 | H9 | H9A | 119.8° | 120.1° |
| C8 | C9 | C10 | H10 | 67.3° | 60.8° |
| C8 | C9 | C10 | H10A | 172.9° | 179.2° |
| C9 | C8 | C13 | H13 | 68.1° | 62.3° |
| C9 | C8 | C13 | H13A | 172.6° | 177.6° |
| C13 | C8 | C9 | C10 | 52.5° | 57.7° |
| C8 | C13 | C12 | N11 | 51.1° | 59.2° |
| C8 | C13 | C12 | H13 | 120.3° | 119.9° |
| C8 | C13 | C12 | H13A | 120.3° | 119.9° |
| C13 | C8 | C9 | H9 | 172.6° | 177.6° |
| C13 | C8 | C9 | H9A | 67.5° | 62.3° |
| C8 | C13 | C12 | H12 | 68.9° | 60.9° |
| C8 | C13 | C12 | H12A | 171.1° | 179.2° |
| C8 | C13 | H13 | H13A | 119.0° | 120.1° |
| C9 | C10 | N11 | H10 | 120.1° | 120.1° |
| C9 | C10 | N11 | H10A | 120.1° | 120.0° |
| C9 | C10 | N11 | C12 | 57.5° | 61.8° |
| C10 | C9 | C8 | H8 | 62.3° | 62.3° |
| C10 | C9 | H9 | H9A | 119.7° | 120.1° |
| C9 | C10 | H10 | H10A | 119.7° | 120.0° |
| C9 | C10 | N11 | HN11 | 178.6° | 174.2° |
| C10 | N11 | C12 | HN11 | 121.1° | 124.1° |
| C10 | N11 | C12 | C13 | 56.0° | 61.8° |
| N11 | C10 | C9 | H9 | 172.9° | 179.2° |
| N11 | C10 | C9 | H9A | 67.3° | 60.8° |
| N11 | C10 | H10 | H10A | 119.7° | 119.9° |
| C10 | N11 | C12 | H12 | 64.0° | 58.3° |
| C10 | N11 | C12 | H12A | 176.0° | 178.2° |
| N11 | C12 | C13 | H12 | 120.0° | 120.1° |
| N11 | C12 | C13 | H12A | 120.0° | 120.0° |
| C12 | N11 | C10 | H10 | 62.6° | 58.3° |
| C12 | N11 | C10 | H10A | 177.6° | 178.2° |
| N11 | C12 | H12 | H12A | 120.0° | 120.0° |
| N11 | C12 | C13 | H13 | 69.2° | 60.7° |
| N11 | C12 | C13 | H13A | 171.4° | 179.1° |
| C12 | C13 | C8 | H8 | 62.6° | 62.2° |
| C13 | C12 | N11 | HN11 | 177.1° | 174.1° |
| C13 | C12 | H12 | H12A | 120.0° | 119.9° |
| C12 | C13 | H13 | H13A | 119.0° | 120.1° |
| C15 | C14 | C16 | C17 | 176.9° | 179.8° |
| C14 | C15 | H15 | H15A | 120.0° | 120.0° |
| C14 | C15 | H15 | H15B | 120.0° | 120.0° |
| C14 | C15 | H15A | H15B | 120.0° | 120.0° |
| C15 | C14 | C16 | H16 | 3.1° | 0.0° |
| C14 | C16 | C17 | H16 | 180.0° | 179.8° |
| C14 | C16 | C17 | N18 | 179.3° | 179.8° |
| C16 | C14 | C15 | H15 | 90.6° | 97.3° |
| C16 | C14 | C15 | H15A | 29.4° | 22.7° |
| C16 | C14 | C15 | H15B | 149.4° | 142.7° |
| C16 | C17 | N18 | C19 | 28.2° | 27.9° |
| C16 | C17 | N18 | HN18 | 151.8° | 152.2° |
| C17 | N18 | C19 | HN18 | 180.0° | 179.9° |
| C17 | N18 | C19 | N20 | 168.2° | 5.5° |
| C17 | N18 | C19 | N38 | 11.9° | 174.8° |
| N18 | C17 | C16 | H16 | 0.7° | 0.1° |
| N18 | C19 | N20 | N38 | 180.0° | 179.7° |
| N18 | C19 | N20 | C21 | 175.3° | 180.0° |
| N18 | C19 | N38 | C24 | 177.1° | 179.8° |
| C19 | N20 | C21 | C22 | 3.2° | 0.1° |
| N20 | C19 | N38 | C24 | 3.0° | 0.5° |
| N20 | C19 | N18 | HN18 | 11.8° | 174.4° |
| C19 | N20 | C21 | H21 | 176.8° | 180.0° |
| N38 | C19 | N20 | C21 | 4.7° | 0.4° |
| C19 | N38 | C24 | C22 | 0.3° | 0.5° |
| C19 | N38 | C24 | N25 | 178.1° | 179.7° |
| N38 | C19 | N18 | HN18 | 168.1° | 5.3° |
| N20 | C21 | C22 | H21 | 180.0° | 179.9° |
| N20 | C21 | C22 | CL1 | 177.7° | 179.9° |
| N20 | C21 | C22 | C24 | 0.1° | 0.0° |
| C21 | C22 | CL1 | C24 | 177.6° | 180.0° |
| C21 | C22 | C24 | N25 | 179.6° | 179.9° |
| C21 | C22 | C24 | N38 | 1.9° | 0.2° |
| CL1 | C22 | C24 | N25 | 2.8° | 0.1° |
| CL1 | C22 | C24 | N38 | 179.5° | 179.7° |
| CL1 | C22 | C21 | H21 | 2.3° | 0.0° |
| C22 | C24 | N25 | N38 | 177.6° | 179.8° |
| C22 | C24 | N25 | C26 | 176.6° | 173.8° |
| C24 | C22 | C21 | H21 | 179.9° | 180.0° |
| C22 | C24 | N25 | HN25 | 3.4° | 6.2° |
| C24 | N25 | C26 | HN25 | 180.0° | 180.0° |
| C24 | N25 | C26 | C27 | 27.9° | 30.6° |
| C24 | N25 | C26 | C31 | 156.8° | 149.2° |
| N38 | C24 | N25 | C26 | 1.1° | 6.0° |
| N38 | C24 | N25 | HN25 | 178.9° | 174.0° |
| N25 | C26 | C27 | C31 | 175.4° | 179.8° |
| N25 | C26 | C27 | C28 | 177.8° | 180.0° |
| N25 | C26 | C31 | C30 | 175.5° | 179.7° |
| N25 | C26 | C31 | S32 | 0.4° | 0.1° |
| N25 | C26 | C27 | H27 | 2.2° | 0.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 1.9° | 0.0° |
| C27 | C26 | C31 | C30 | 0.0° | 0.5° |
| C27 | C26 | C31 | S32 | 175.0° | 179.7° |
| C27 | C26 | N25 | HN25 | 152.1° | 149.4° |
| C26 | C27 | C28 | H28 | 178.1° | 180.0° |
| C31 | C26 | C27 | C28 | 2.4° | 0.3° |
| C26 | C31 | C30 | C29 | 2.9° | 0.5° |
| C26 | C31 | C30 | S32 | 175.3° | 179.8° |
| C26 | C31 | S32 | O33 | 23.2° | 51.1° |
| C26 | C31 | S32 | O34 | 147.8° | 179.0° |
| C26 | C31 | S32 | C35 | 94.0° | 64.9° |
| C31 | C26 | N25 | HN25 | 23.1° | 30.9° |
| C31 | C26 | C27 | H27 | 177.6° | 179.8° |
| C26 | C31 | C30 | H30 | 177.1° | 179.7° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 1.0° | 0.0° |
| C27 | C28 | C29 | H29 | 178.9° | 180.0° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 3.4° | 0.3° |
| C29 | C28 | C27 | H27 | 178.1° | 180.0° |
| C28 | C29 | C30 | H30 | 176.6° | 180.0° |
| C29 | C30 | C31 | H30 | 180.0° | 179.8° |
| C29 | C30 | C31 | S32 | 178.2° | 179.7° |
| C30 | C29 | C28 | H28 | 178.9° | 180.0° |
| C30 | C31 | S32 | O33 | 152.0° | 128.7° |
| C30 | C31 | S32 | O34 | 27.4° | 0.9° |
| C30 | C31 | S32 | C35 | 90.8° | 115.3° |
| C31 | C30 | C29 | H29 | 176.6° | 179.8° |
| C31 | S32 | O33 | O34 | 121.2° | 116.8° |
| C31 | S32 | O33 | C35 | 115.9° | 111.8° |
| C31 | S32 | O34 | C35 | 115.4° | 111.8° |
| C31 | S32 | C35 | C36 | 73.9° | 175.0° |
| C31 | S32 | C35 | C37 | 55.1° | 55.0° |
| S32 | C31 | C30 | H30 | 1.8° | 0.1° |
| C31 | S32 | C35 | H35 | 171.7° | 65.0° |
| O33 | S32 | O34 | C35 | 121.7° | 131.5° |
| O33 | S32 | C35 | C36 | 167.3° | 73.4° |
| O33 | S32 | C35 | C37 | 63.7° | 166.6° |
| O33 | S32 | C35 | H35 | 52.8° | 46.7° |
| O34 | S32 | C35 | C36 | 42.5° | 63.3° |
| O34 | S32 | C35 | C37 | 171.5° | 56.7° |
| O34 | S32 | C35 | H35 | 71.9° | 176.6° |
| S32 | C35 | C36 | C37 | 129.2° | 120.0° |
| S32 | C35 | C36 | H35 | 112.8° | 120.1° |
| S32 | C35 | C37 | H35 | 115.1° | 120.0° |
| S32 | C35 | C36 | H36 | 180.0° | 59.9° |
| S32 | C35 | C36 | H36A | 60.0° | 180.0° |
| S32 | C35 | C36 | H36B | 60.0° | 60.0° |
| S32 | C35 | C37 | H37 | 180.0° | 60.0° |
| S32 | C35 | C37 | H37A | 60.0° | 60.0° |
| S32 | C35 | C37 | H37B | 60.0° | 180.0° |
| C36 | C35 | C37 | H35 | 118.0° | 120.0° |
| C35 | C36 | H36 | H36A | 120.0° | 120.1° |
| C35 | C36 | H36 | H36B | 120.0° | 119.9° |
| C35 | C36 | H36A | H36B | 120.0° | 120.0° |
| C36 | C35 | C37 | H37 | 53.0° | 60.0° |
| C36 | C35 | C37 | H37A | 67.0° | 180.0° |
| C36 | C35 | C37 | H37B | 173.0° | 60.0° |
| C37 | C35 | C36 | H36 | 50.8° | 60.0° |
| C37 | C35 | C36 | H36A | 170.8° | 60.0° |
| C37 | C35 | C36 | H36B | 69.2° | 180.0° |
| C35 | C37 | H37 | H37A | 120.0° | 120.0° |
| C35 | C37 | H37 | H37B | 120.0° | 120.0° |
| C35 | C37 | H37A | H37B | 120.0° | 120.0° |
| H1 | C1 | H1A | H1B | 120.0° | 120.1° |
| H1 | C1 | C2 | H2 | 60.2° | 60.0° |
| H1A | C1 | C2 | H2 | 179.9° | 60.0° |
| H1B | C1 | C2 | H2 | 59.9° | 179.9° |
| H2 | C2 | C3 | H3 | 60.1° | 180.0° |
| H2 | C2 | C3 | H3A | 59.9° | 60.0° |
| H2 | C2 | C3 | H3B | 179.9° | 60.0° |
| H3 | C3 | H3A | H3B | 120.0° | 120.0° |
| H8 | C8 | C9 | H9 | 57.8° | 57.6° |
| H8 | C8 | C9 | H9A | 177.6° | 177.7° |
| H8 | C8 | C13 | H13 | 177.1° | 177.8° |
| H8 | C8 | C13 | H13A | 57.8° | 57.7° |
| H9 | C9 | C10 | H10 | 52.8° | 59.1° |
| H9 | C9 | C10 | H10A | 67.0° | 60.9° |
| H9A | C9 | C10 | H10 | 172.6° | 179.2° |
| H9A | C9 | C10 | H10A | 52.8° | 59.2° |
| H10 | C10 | N11 | HN11 | 58.5° | 65.8° |
| H10A | C10 | N11 | HN11 | 61.3° | 54.2° |
| HN11 | N11 | C12 | H12 | 57.1° | 65.8° |
| HN11 | N11 | C12 | H12A | 62.8° | 54.1° |
| H12 | C12 | C13 | H13 | 170.8° | 179.2° |
| H12 | C12 | C13 | H13A | 51.4° | 59.1° |
| H12A | C12 | C13 | H13 | 50.8° | 59.3° |
| H12A | C12 | C13 | H13A | 68.6° | 60.8° |
| H15 | C15 | H15A | H15B | 120.0° | 120.0° |
| H27 | C27 | C28 | H28 | 1.8° | 0.1° |
| H28 | C28 | C29 | H29 | 1.1° | 0.0° |
| H29 | C29 | C30 | H30 | 3.4° | 0.0° |
| H35 | C35 | C36 | H36 | 67.2° | 180.0° |
| H35 | C35 | C36 | H36A | 52.8° | 60.0° |
| H35 | C35 | C36 | H36B | 172.8° | 60.1° |
| H35 | C35 | C37 | H37 | 64.9° | 180.0° |
| H35 | C35 | C37 | H37A | 175.1° | 60.0° |
| H35 | C35 | C37 | H37B | 55.1° | 60.0° |
| H36 | C36 | H36A | H36B | 120.0° | 120.0° |
| H37 | C37 | H37A | H37B | 120.0° | 120.1° |
