0NW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL2 | C37 | sing | 1.74Å | 1.79Å | |
| CL1 | C35 | sing | 1.74Å | 1.79Å | |
| C36 | C37 | doub | 1.38Å | 1.38Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C34 | doub | 1.39Å | 1.39Å | Aromatic |
| N46 | C44 | doub | 1.30Å | 1.33Å | |
| N45 | C44 | sing | 1.38Å | 1.27Å | |
| C44 | C3 | sing | 1.48Å | 1.50Å | |
| C38 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C39 | sing | 1.39Å | 1.39Å | Aromatic |
| C34 | C32 | sing | 1.48Å | 1.50Å | |
| O27 | S25 | doub | 1.42Å | 1.44Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C32 | C33 | doub | 1.39Å | 1.40Å | Aromatic |
| C32 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C33 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| O10 | C9 | doub | 1.21Å | 1.22Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| N24 | S25 | sing | 1.66Å | 1.61Å | |
| N24 | C8 | sing | 1.46Å | 1.45Å | |
| S25 | C28 | sing | 1.76Å | 1.61Å | |
| S25 | O26 | doub | 1.42Å | 1.43Å | |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| C9 | N11 | sing | 1.35Å | 1.33Å | |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C12 | N11 | sing | 1.47Å | 1.46Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| N11 | C16 | sing | 1.47Å | 1.46Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | N19 | sing | 1.47Å | 1.45Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C30 | H15 | sing | 1.08Å | 1.08Å | |
| C31 | H16 | sing | 1.08Å | 1.08Å | |
| C33 | H17 | sing | 1.08Å | 1.08Å | |
| N46 | H18 | sing | 0.97Å | 1.00Å | |
| N45 | H19 | sing | 0.97Å | 1.00Å | |
| N45 | H20 | sing | 0.97Å | 1.00Å | |
| C4 | H21 | sing | 1.08Å | 1.08Å | |
| N24 | H22 | sing | 0.97Å | 1.00Å | |
| C39 | H23 | sing | 1.08Å | 1.08Å | |
| C38 | H24 | sing | 1.08Å | 1.08Å | |
| C36 | H25 | sing | 1.08Å | 1.08Å | |
| C29 | H26 | sing | 1.08Å | 1.08Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| N19 | H31 | sing | 1.01Å | 1.00Å | |
| N19 | H32 | sing | 1.01Å | 1.00Å | |
| C6 | H34 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL2 | C37 | C36 | 117.9° | 119.9° |
| CL2 | C37 | C38 | 122.4° | 119.9° |
| CL1 | C35 | C36 | 116.0° | 120.1° |
| CL1 | C35 | C34 | 123.4° | 120.0° |
| C37 | C36 | C35 | 120.4° | 120.1° |
| C36 | C37 | C38 | 119.8° | 120.2° |
| C37 | C36 | H25 | 119.8° | 119.9° |
| C36 | C35 | C34 | 120.6° | 119.9° |
| C35 | C36 | H25 | 119.8° | 120.0° |
| C37 | C38 | C39 | 120.2° | 120.2° |
| C37 | C38 | H24 | 119.9° | 119.9° |
| C35 | C34 | C39 | 119.0° | 119.7° |
| C35 | C34 | C32 | 122.0° | 120.1° |
| N46 | C44 | N45 | 119.6° | 120.0° |
| N46 | C44 | C3 | 120.1° | 120.0° |
| C44 | N46 | H18 | 112.0° | 120.0° |
| N45 | C44 | C3 | 120.3° | 120.0° |
| C44 | N45 | H19 | 120.0° | 120.0° |
| C44 | N45 | H20 | 120.0° | 120.0° |
| C44 | C3 | C2 | 120.8° | 120.1° |
| C44 | C3 | C4 | 119.8° | 120.2° |
| C38 | C39 | C34 | 120.1° | 119.9° |
| C38 | C39 | H23 | 119.9° | 120.0° |
| C39 | C38 | H24 | 120.0° | 119.9° |
| C39 | C34 | C32 | 118.9° | 120.1° |
| C34 | C39 | H23 | 119.9° | 120.1° |
| C34 | C32 | C33 | 118.1° | 120.1° |
| C34 | C32 | C31 | 122.9° | 120.1° |
| O27 | S25 | N24 | 106.1° | 106.4° |
| O27 | S25 | C28 | 111.7° | 106.4° |
| O27 | S25 | O26 | 111.3° | 123.1° |
| C2 | C3 | C4 | 119.4° | 119.7° |
| C3 | C2 | C1 | 120.4° | 119.9° |
| C3 | C2 | H2 | 119.8° | 120.0° |
| C3 | C4 | C5 | 120.4° | 119.9° |
| C3 | C4 | H21 | 119.8° | 120.0° |
| C33 | C32 | C31 | 118.9° | 119.8° |
| C32 | C33 | C28 | 122.4° | 119.9° |
| C32 | C33 | H17 | 118.8° | 120.1° |
| C32 | C31 | C30 | 119.1° | 119.9° |
| C32 | C31 | H16 | 120.5° | 120.0° |
| C33 | C28 | S25 | 121.7° | 120.0° |
| C33 | C28 | C29 | 118.2° | 120.1° |
| C28 | C33 | H17 | 118.8° | 120.1° |
| C2 | C1 | C6 | 120.1° | 120.1° |
| C2 | C1 | H1 | 119.9° | 119.9° |
| C1 | C2 | H2 | 119.8° | 120.1° |
| O10 | C9 | C8 | 119.5° | 120.0° |
| O10 | C9 | N11 | 121.5° | 120.0° |
| C4 | C5 | C6 | 120.3° | 120.1° |
| C4 | C5 | C7 | 119.0° | 120.0° |
| C5 | C4 | H21 | 119.8° | 120.0° |
| S25 | N24 | C8 | 119.0° | 120.0° |
| N24 | S25 | C28 | 111.5° | 107.2° |
| N24 | S25 | O26 | 107.3° | 106.4° |
| S25 | N24 | H22 | 107.0° | 120.0° |
| N24 | C8 | C9 | 107.8° | 109.4° |
| N24 | C8 | C7 | 111.0° | 109.5° |
| N24 | C8 | H5 | 108.7° | 109.5° |
| C8 | N24 | H22 | 107.0° | 120.0° |
| C28 | S25 | O26 | 108.8° | 106.4° |
| S25 | C28 | C29 | 120.1° | 119.9° |
| C28 | C29 | C30 | 119.7° | 120.2° |
| C28 | C29 | H26 | 120.1° | 119.8° |
| C31 | C30 | C29 | 121.7° | 120.1° |
| C31 | C30 | H15 | 119.2° | 119.9° |
| C30 | C31 | H16 | 120.4° | 120.1° |
| C1 | C6 | C5 | 119.4° | 120.3° |
| C6 | C1 | H1 | 119.9° | 119.9° |
| C1 | C6 | H34 | 120.3° | 119.9° |
| C8 | C9 | N11 | 119.0° | 120.0° |
| C9 | C8 | C7 | 113.7° | 109.5° |
| C9 | C8 | H5 | 108.0° | 109.5° |
| C9 | N11 | C12 | 119.2° | 120.6° |
| C9 | N11 | C16 | 122.0° | 120.6° |
| C29 | C30 | H15 | 119.2° | 119.9° |
| C30 | C29 | H26 | 120.1° | 119.9° |
| C6 | C5 | C7 | 120.7° | 119.9° |
| C5 | C6 | H34 | 120.3° | 119.8° |
| C5 | C7 | C8 | 111.1° | 109.5° |
| C5 | C7 | H3 | 109.1° | 109.5° |
| C5 | C7 | H4 | 109.1° | 109.5° |
| C8 | C7 | H3 | 109.1° | 109.4° |
| C8 | C7 | H4 | 109.1° | 109.5° |
| C7 | C8 | H5 | 107.6° | 109.5° |
| N11 | C12 | C13 | 109.4° | 108.8° |
| C12 | N11 | C16 | 118.8° | 118.8° |
| N11 | C12 | H6 | 109.5° | 109.6° |
| N11 | C12 | H7 | 109.5° | 109.6° |
| C12 | C13 | C14 | 110.6° | 109.3° |
| C13 | C12 | H6 | 109.5° | 109.6° |
| C13 | C12 | H7 | 109.5° | 109.6° |
| C12 | C13 | H8 | 109.2° | 109.5° |
| C12 | C13 | H9 | 109.2° | 109.5° |
| N11 | C16 | C15 | 109.9° | 108.8° |
| N11 | C16 | H13 | 109.3° | 109.6° |
| N11 | C16 | H14 | 109.4° | 109.7° |
| C13 | C14 | C15 | 105.4° | 109.5° |
| C13 | C14 | C17 | 109.6° | 109.5° |
| C14 | C13 | H8 | 109.2° | 109.5° |
| C14 | C13 | H9 | 109.2° | 109.5° |
| C13 | C14 | H10 | 110.7° | 109.5° |
| C16 | C15 | C14 | 109.5° | 109.3° |
| C16 | C15 | H11 | 109.5° | 109.5° |
| C16 | C15 | H12 | 109.5° | 109.5° |
| C15 | C16 | H13 | 109.3° | 109.6° |
| C15 | C16 | H14 | 109.4° | 109.6° |
| C15 | C14 | C17 | 109.7° | 109.5° |
| C15 | C14 | H10 | 110.7° | 109.5° |
| C14 | C15 | H11 | 109.5° | 109.5° |
| C14 | C15 | H12 | 109.5° | 109.5° |
| C14 | C17 | C18 | 112.5° | 109.5° |
| C17 | C14 | H10 | 110.6° | 109.5° |
| C14 | C17 | H27 | 108.7° | 109.5° |
| C14 | C17 | H28 | 108.7° | 109.5° |
| C17 | C18 | N19 | 110.6° | 109.5° |
| C18 | C17 | H27 | 108.7° | 109.4° |
| C18 | C17 | H28 | 108.7° | 109.4° |
| C17 | C18 | H29 | 109.2° | 109.4° |
| C17 | C18 | H30 | 109.2° | 109.4° |
| N19 | C18 | H29 | 109.2° | 109.5° |
| N19 | C18 | H30 | 109.2° | 109.5° |
| C18 | N19 | H31 | 109.5° | 111.0° |
| C18 | N19 | H32 | 109.4° | 111.0° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H6 | C12 | H7 | 109.5° | 109.7° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H11 | C15 | H12 | 109.4° | 109.5° |
| H13 | C16 | H14 | 109.5° | 109.6° |
| H19 | N45 | H20 | 120.0° | 120.0° |
| H27 | C17 | H28 | 109.5° | 109.5° |
| H29 | C18 | H30 | 109.5° | 109.5° |
| H31 | N19 | H32 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL2 | C37 | C36 | C38 | 179.6° | 179.5° |
| CL2 | C37 | C36 | C35 | 179.6° | 179.8° |
| CL2 | C37 | C38 | C39 | 179.4° | 180.0° |
| CL2 | C37 | C38 | H24 | 0.6° | 0.0° |
| CL2 | C37 | C36 | H25 | 0.4° | 0.5° |
| CL1 | C35 | C36 | C37 | 179.9° | 179.5° |
| CL1 | C35 | C36 | C34 | 179.4° | 179.9° |
| CL1 | C35 | C34 | C39 | 179.6° | 180.0° |
| CL1 | C35 | C34 | C32 | 3.1° | 0.2° |
| CL1 | C35 | C36 | H25 | 0.1° | 0.2° |
| C37 | C36 | C35 | H25 | 180.0° | 179.3° |
| C37 | C36 | C35 | C34 | 0.5° | 0.6° |
| C36 | C37 | C38 | C39 | 0.1° | 0.5° |
| C36 | C37 | C38 | H24 | 179.9° | 179.5° |
| C35 | C36 | C37 | C38 | 0.0° | 0.8° |
| C36 | C35 | C34 | C39 | 1.1° | 0.1° |
| C36 | C35 | C34 | C32 | 177.6° | 179.7° |
| C37 | C38 | C39 | H24 | 180.0° | 179.9° |
| C37 | C38 | C39 | C34 | 0.8° | 0.0° |
| C37 | C38 | C39 | H23 | 179.2° | 180.0° |
| C38 | C37 | C36 | H25 | 180.0° | 180.0° |
| C35 | C34 | C39 | C38 | 1.2° | 0.2° |
| C35 | C34 | C39 | C32 | 176.6° | 179.8° |
| C35 | C34 | C32 | C33 | 50.6° | 49.8° |
| C35 | C34 | C32 | C31 | 132.8° | 130.3° |
| C35 | C34 | C39 | H23 | 178.7° | 179.8° |
| C34 | C35 | C36 | H25 | 179.5° | 179.8° |
| N46 | C44 | N45 | C3 | 178.7° | 179.9° |
| N46 | C44 | C3 | C2 | 10.0° | 180.0° |
| N46 | C44 | C3 | C4 | 171.0° | 0.0° |
| N46 | C44 | N45 | H19 | 178.7° | 180.0° |
| N46 | C44 | N45 | H20 | 1.3° | 0.1° |
| N45 | C44 | C3 | C2 | 168.7° | 0.0° |
| N45 | C44 | C3 | C4 | 10.3° | 179.9° |
| N45 | C44 | N46 | H18 | 178.7° | 180.0° |
| C44 | N45 | H19 | H20 | 180.0° | 179.9° |
| C44 | C3 | C2 | C4 | 179.0° | 180.0° |
| C44 | C3 | C2 | C1 | 179.0° | 180.0° |
| C44 | C3 | C4 | C5 | 179.8° | 180.0° |
| C44 | C3 | C2 | H2 | 1.0° | 0.1° |
| C3 | C44 | N46 | H18 | 0.0° | 0.1° |
| C3 | C44 | N45 | H19 | 0.0° | 0.0° |
| C3 | C44 | N45 | H20 | 180.0° | 180.0° |
| C44 | C3 | C4 | H21 | 0.2° | 0.1° |
| C38 | C39 | C34 | H23 | 180.0° | 180.0° |
| C38 | C39 | C34 | C32 | 177.9° | 180.0° |
| C39 | C34 | C32 | C33 | 125.9° | 130.0° |
| C39 | C34 | C32 | C31 | 50.8° | 49.9° |
| C34 | C39 | C38 | H24 | 179.2° | 179.9° |
| C34 | C32 | C33 | C31 | 176.7° | 180.0° |
| C34 | C32 | C33 | C28 | 179.2° | 179.9° |
| C34 | C32 | C31 | C30 | 178.7° | 179.9° |
| C34 | C32 | C31 | H16 | 1.3° | 0.0° |
| C34 | C32 | C33 | H17 | 0.8° | 0.0° |
| C32 | C34 | C39 | H23 | 2.1° | 0.0° |
| O27 | S25 | C28 | C33 | 75.7° | 23.5° |
| O27 | S25 | N24 | C28 | 121.9° | 113.6° |
| O27 | S25 | N24 | O26 | 119.0° | 132.9° |
| O27 | S25 | N24 | C8 | 174.0° | 178.6° |
| O27 | S25 | C28 | O26 | 123.3° | 132.9° |
| O27 | S25 | C28 | C29 | 105.2° | 156.7° |
| O27 | S25 | N24 | H22 | 52.6° | 1.5° |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.8° | 0.1° |
| C3 | C2 | C1 | C6 | 0.4° | 0.0° |
| C3 | C2 | C1 | H1 | 179.6° | 179.7° |
| C2 | C3 | C4 | H21 | 179.2° | 180.0° |
| C4 | C3 | C2 | C1 | 0.0° | 0.0° |
| C3 | C4 | C5 | H21 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 1.2° | 0.0° |
| C3 | C4 | C5 | C7 | 179.1° | 180.0° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C32 | C33 | C28 | H17 | 180.0° | 180.0° |
| C32 | C33 | C28 | S25 | 179.3° | 180.0° |
| C32 | C33 | C28 | C29 | 1.6° | 0.2° |
| C33 | C32 | C31 | C30 | 2.1° | 0.0° |
| C33 | C32 | C31 | H16 | 177.9° | 180.0° |
| C31 | C32 | C33 | C28 | 2.5° | 0.0° |
| C32 | C31 | C30 | H16 | 180.0° | 179.9° |
| C32 | C31 | C30 | C29 | 1.0° | 0.3° |
| C32 | C31 | C30 | H15 | 178.9° | 180.0° |
| C31 | C32 | C33 | H17 | 177.5° | 180.0° |
| C33 | C28 | S25 | N24 | 42.9° | 90.0° |
| C33 | C28 | S25 | C29 | 179.1° | 179.8° |
| C33 | C28 | S25 | O26 | 161.0° | 156.4° |
| C33 | C28 | C29 | C30 | 0.5° | 0.4° |
| C33 | C28 | C29 | H26 | 179.5° | 179.9° |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C2 | C1 | C6 | C5 | 0.0° | 0.0° |
| C2 | C1 | C6 | H34 | 180.0° | 179.7° |
| O10 | C9 | C8 | N24 | 27.8° | 18.7° |
| O10 | C9 | C8 | N11 | 179.2° | 180.0° |
| O10 | C9 | C8 | C7 | 95.7° | 101.3° |
| O10 | C9 | N11 | C12 | 2.2° | 5.6° |
| O10 | C9 | N11 | C16 | 179.5° | 174.5° |
| O10 | C9 | C8 | H5 | 145.0° | 138.7° |
| C4 | C5 | C6 | C1 | 0.8° | 0.0° |
| C4 | C5 | C6 | C7 | 179.7° | 180.0° |
| C4 | C5 | C7 | C8 | 92.4° | 90.0° |
| C4 | C5 | C7 | H3 | 27.8° | 30.0° |
| C4 | C5 | C7 | H4 | 147.3° | 150.0° |
| C4 | C5 | C6 | H34 | 179.2° | 179.7° |
| S25 | N24 | C8 | H22 | 121.4° | 180.0° |
| N24 | S25 | C28 | O26 | 118.2° | 113.5° |
| N24 | S25 | C28 | C29 | 136.2° | 89.8° |
| S25 | N24 | C8 | C9 | 106.4° | 145.0° |
| S25 | N24 | C8 | C7 | 128.6° | 95.0° |
| S25 | N24 | C8 | H5 | 10.4° | 25.0° |
| C8 | N24 | S25 | C28 | 64.1° | 65.0° |
| C8 | N24 | S25 | O26 | 55.0° | 48.6° |
| N24 | C8 | C9 | C7 | 123.5° | 120.0° |
| N24 | C8 | C9 | H5 | 117.3° | 120.0° |
| N24 | C8 | C9 | N11 | 151.5° | 161.3° |
| N24 | C8 | C7 | C5 | 87.4° | 58.6° |
| N24 | C8 | C7 | H5 | 118.8° | 120.0° |
| N24 | C8 | C7 | H3 | 32.9° | 61.3° |
| N24 | C8 | C7 | H4 | 152.4° | 178.7° |
| S25 | C28 | C29 | C30 | 179.6° | 179.8° |
| S25 | C28 | C33 | H17 | 0.7° | 0.0° |
| C28 | S25 | N24 | H22 | 174.5° | 115.0° |
| S25 | C28 | C29 | H26 | 0.4° | 0.1° |
| O26 | S25 | C28 | C29 | 18.0° | 23.7° |
| O26 | S25 | N24 | H22 | 66.4° | 131.4° |
| C28 | C29 | C30 | C31 | 0.2° | 0.5° |
| C28 | C29 | C30 | H26 | 180.0° | 179.7° |
| C28 | C29 | C30 | H15 | 179.8° | 179.8° |
| C29 | C28 | C33 | H17 | 178.3° | 179.8° |
| C31 | C30 | C29 | H15 | 180.0° | 179.7° |
| C31 | C30 | C29 | H26 | 179.8° | 179.9° |
| C1 | C6 | C5 | H34 | 180.0° | 179.7° |
| C1 | C6 | C5 | C7 | 179.5° | 180.0° |
| C6 | C1 | C2 | H2 | 179.6° | 180.0° |
| C9 | C8 | C7 | C5 | 34.3° | 178.6° |
| C9 | C8 | C7 | H5 | 119.5° | 120.0° |
| C8 | C9 | N11 | C12 | 178.5° | 174.5° |
| C8 | C9 | N11 | C16 | 1.2° | 5.5° |
| C9 | C8 | C7 | H3 | 154.6° | 58.7° |
| C9 | C8 | C7 | H4 | 85.9° | 61.3° |
| C9 | C8 | N24 | H22 | 132.3° | 35.0° |
| N11 | C9 | C8 | C7 | 85.1° | 78.7° |
| C9 | N11 | C12 | C16 | 177.4° | 180.0° |
| C9 | N11 | C12 | C13 | 135.5° | 126.4° |
| C9 | N11 | C16 | C15 | 134.8° | 126.4° |
| N11 | C9 | C8 | H5 | 34.2° | 41.3° |
| C9 | N11 | C12 | H6 | 104.6° | 6.6° |
| C9 | N11 | C12 | H7 | 15.5° | 113.8° |
| C9 | N11 | C16 | H13 | 14.7° | 113.9° |
| C9 | N11 | C16 | H14 | 105.1° | 6.5° |
| C29 | C30 | C31 | H16 | 179.0° | 179.8° |
| C6 | C5 | C7 | C8 | 87.9° | 90.0° |
| C5 | C6 | C1 | H1 | 180.0° | 179.7° |
| C6 | C5 | C7 | H3 | 151.8° | 150.1° |
| C6 | C5 | C7 | H4 | 32.3° | 30.0° |
| C6 | C5 | C4 | H21 | 178.8° | 180.0° |
| C5 | C7 | C8 | H3 | 120.2° | 119.9° |
| C5 | C7 | C8 | H4 | 120.3° | 120.0° |
| C5 | C7 | H3 | H4 | 119.3° | 120.1° |
| C5 | C7 | C8 | H5 | 153.8° | 61.4° |
| C7 | C5 | C4 | H21 | 0.9° | 0.1° |
| C7 | C5 | C6 | H34 | 0.5° | 0.3° |
| C8 | C7 | H3 | H4 | 119.2° | 120.0° |
| C7 | C8 | N24 | H22 | 7.2° | 85.0° |
| N11 | C12 | C13 | H6 | 120.0° | 119.8° |
| N11 | C12 | C13 | H7 | 120.0° | 119.7° |
| N11 | C12 | C13 | C14 | 55.2° | 54.6° |
| C12 | N11 | C16 | C15 | 47.9° | 53.6° |
| N11 | C12 | H6 | H7 | 120.0° | 120.3° |
| N11 | C12 | C13 | H8 | 175.4° | 174.6° |
| N11 | C12 | C13 | H9 | 65.0° | 65.4° |
| C12 | N11 | C16 | H13 | 167.9° | 66.2° |
| C12 | N11 | C16 | H14 | 72.2° | 173.5° |
| C13 | C12 | N11 | C16 | 47.1° | 53.6° |
| C12 | C13 | C14 | H8 | 120.2° | 120.0° |
| C12 | C13 | C14 | H9 | 120.2° | 120.0° |
| C12 | C13 | C14 | C15 | 65.3° | 61.4° |
| C12 | C13 | C14 | C17 | 176.6° | 178.6° |
| C13 | C12 | H6 | H7 | 120.0° | 120.4° |
| C12 | C13 | H8 | H9 | 119.5° | 120.1° |
| C12 | C13 | C14 | H10 | 54.4° | 58.6° |
| N11 | C16 | C15 | H13 | 120.0° | 119.8° |
| N11 | C16 | C15 | H14 | 120.1° | 120.0° |
| N11 | C16 | C15 | C14 | 55.8° | 54.6° |
| C16 | N11 | C12 | H6 | 72.8° | 173.4° |
| C16 | N11 | C12 | H7 | 167.1° | 66.2° |
| N11 | C16 | C15 | H11 | 64.2° | 174.6° |
| N11 | C16 | C15 | H12 | 175.8° | 65.4° |
| N11 | C16 | H13 | H14 | 119.8° | 120.4° |
| C13 | C14 | C15 | C16 | 65.1° | 61.4° |
| C13 | C14 | C15 | C17 | 118.0° | 120.0° |
| C13 | C14 | C15 | H10 | 119.8° | 120.0° |
| C13 | C14 | C17 | H10 | 122.3° | 120.0° |
| C13 | C14 | C17 | C18 | 175.5° | 175.0° |
| C14 | C13 | C12 | H6 | 64.8° | 174.4° |
| C14 | C13 | C12 | H7 | 175.1° | 65.1° |
| C14 | C13 | H8 | H9 | 119.5° | 120.0° |
| C13 | C14 | C15 | H11 | 54.9° | 178.7° |
| C13 | C14 | C15 | H12 | 174.9° | 58.6° |
| C13 | C14 | C17 | H27 | 64.1° | 55.0° |
| C13 | C14 | C17 | H28 | 55.0° | 65.0° |
| C16 | C15 | C14 | H11 | 120.0° | 119.9° |
| C16 | C15 | C14 | H12 | 120.0° | 120.0° |
| C16 | C15 | C14 | C17 | 176.9° | 178.6° |
| C16 | C15 | C14 | H10 | 54.6° | 58.7° |
| C16 | C15 | H11 | H12 | 120.0° | 120.0° |
| C15 | C16 | H13 | H14 | 119.8° | 120.3° |
| C15 | C14 | C17 | H10 | 122.3° | 120.0° |
| C15 | C14 | C17 | C18 | 60.1° | 64.9° |
| C15 | C14 | C13 | H8 | 174.5° | 178.7° |
| C15 | C14 | C13 | H9 | 54.8° | 58.6° |
| C14 | C15 | H11 | H12 | 120.0° | 120.1° |
| C14 | C15 | C16 | H13 | 175.8° | 65.1° |
| C14 | C15 | C16 | H14 | 64.3° | 174.6° |
| C15 | C14 | C17 | H27 | 179.4° | 175.1° |
| C15 | C14 | C17 | H28 | 60.3° | 55.0° |
| C14 | C17 | C18 | H27 | 120.4° | 120.0° |
| C14 | C17 | C18 | H28 | 120.4° | 120.0° |
| C14 | C17 | C18 | N19 | 74.9° | 180.0° |
| C17 | C14 | C13 | H8 | 56.4° | 58.7° |
| C17 | C14 | C13 | H9 | 63.2° | 61.4° |
| C17 | C14 | C15 | H11 | 63.1° | 58.7° |
| C17 | C14 | C15 | H12 | 56.9° | 61.4° |
| C14 | C17 | H27 | H28 | 118.6° | 120.0° |
| C14 | C17 | C18 | H29 | 164.9° | 60.0° |
| C14 | C17 | C18 | H30 | 45.2° | 60.0° |
| C17 | C18 | N19 | H29 | 120.2° | 120.0° |
| C17 | C18 | N19 | H30 | 120.2° | 120.0° |
| C18 | C17 | C14 | H10 | 62.2° | 55.0° |
| C18 | C17 | H27 | H28 | 118.6° | 119.9° |
| C17 | C18 | H29 | H30 | 119.5° | 119.9° |
| C17 | C18 | N19 | H31 | 180.0° | 180.0° |
| C17 | C18 | N19 | H32 | 60.0° | 56.0° |
| N19 | C18 | C17 | H27 | 45.5° | 60.0° |
| N19 | C18 | C17 | H28 | 164.6° | 60.0° |
| N19 | C18 | H29 | H30 | 119.5° | 120.1° |
| C18 | N19 | H31 | H32 | 120.0° | 124.0° |
| H1 | C1 | C2 | H2 | 0.4° | 0.3° |
| H1 | C1 | C6 | H34 | 0.0° | 0.0° |
| H3 | C7 | C8 | H5 | 85.9° | 178.7° |
| H4 | C7 | C8 | H5 | 33.6° | 58.7° |
| H5 | C8 | N24 | H22 | 110.9° | 155.0° |
| H6 | C12 | C13 | H8 | 55.4° | 65.6° |
| H6 | C12 | C13 | H9 | 175.0° | 54.4° |
| H7 | C12 | C13 | H8 | 64.7° | 54.8° |
| H7 | C12 | C13 | H9 | 55.0° | 174.9° |
| H8 | C13 | C14 | H10 | 65.8° | 61.3° |
| H9 | C13 | C14 | H10 | 174.5° | 178.6° |
| H10 | C14 | C15 | H11 | 174.6° | 61.3° |
| H10 | C14 | C15 | H12 | 65.4° | 178.6° |
| H10 | C14 | C17 | H27 | 58.2° | 65.0° |
| H10 | C14 | C17 | H28 | 177.4° | 175.0° |
| H11 | C15 | C16 | H13 | 55.8° | 54.8° |
| H11 | C15 | C16 | H14 | 175.7° | 65.4° |
| H12 | C15 | C16 | H13 | 64.2° | 174.9° |
| H12 | C15 | C16 | H14 | 55.7° | 54.6° |
| H15 | C30 | C31 | H16 | 1.1° | 0.1° |
| H15 | C30 | C29 | H26 | 0.3° | 0.2° |
| H23 | C39 | C38 | H24 | 0.8° | 0.0° |
| H27 | C17 | C18 | H29 | 74.7° | NaN° |
| H27 | C17 | C18 | H30 | 165.6° | 60.0° |
| H28 | C17 | C18 | H29 | 44.4° | 60.0° |
| H28 | C17 | C18 | H30 | 75.2° | 180.0° |
| H29 | C18 | N19 | H31 | 59.8° | 60.0° |
| H29 | C18 | N19 | H32 | 179.8° | 176.0° |
| H30 | C18 | N19 | H31 | 59.8° | 60.0° |
| H30 | C18 | N19 | H32 | 60.1° | 63.9° |
