NWR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C16 | sing | 1.74Å | 1.77Å | |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C18 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | N3 | sing | 1.48Å | 1.45Å | |
| C11 | C10 | sing | 1.51Å | 1.52Å | |
| N3 | C19 | sing | 1.37Å | 1.44Å | |
| O2 | C10 | doub | 1.21Å | 1.17Å | |
| C10 | N2 | sing | 1.35Å | 1.45Å | |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C19 | O3 | doub | 1.21Å | 1.16Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| N2 | C9 | sing | 1.46Å | 1.40Å | |
| N2 | C28 | sing | 1.47Å | 1.43Å | |
| C21 | S2 | sing | 1.81Å | 1.81Å | |
| C9 | C8 | sing | 1.53Å | 1.50Å | |
| C28 | C29 | sing | 1.53Å | 1.55Å | |
| N1 | C6 | sing | 1.48Å | 1.44Å | |
| N1 | C7 | sing | 1.36Å | 1.44Å | |
| C8 | C7 | sing | 1.51Å | 1.52Å | |
| C8 | C30 | sing | 1.53Å | 1.53Å | |
| S2 | C22 | sing | 1.81Å | 1.81Å | |
| C6 | C5 | sing | 1.51Å | 1.52Å | |
| C5 | C4 | doub | 1.31Å | 1.31Å | |
| C7 | O1 | doub | 1.21Å | 1.17Å | |
| C30 | C29 | sing | 1.53Å | 1.57Å | |
| C4 | C3 | sing | 1.51Å | 1.52Å | |
| C3 | S1 | sing | 1.81Å | 1.81Å | |
| C22 | C23 | sing | 1.51Å | 1.52Å | |
| C26 | C23 | doub | 1.38Å | 1.37Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.37Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C1 | doub | 1.38Å | 1.37Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| S1 | C2 | sing | 1.81Å | 1.82Å | |
| C1 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.10Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| N1 | H16 | sing | 0.97Å | 1.00Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.08Å | 1.08Å | |
| C25 | H27 | sing | 1.08Å | 1.08Å | |
| C26 | H28 | sing | 1.08Å | 1.08Å | |
| C27 | H29 | sing | 1.08Å | 1.08Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| N3 | H32 | sing | 0.97Å | 1.00Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C16 | C17 | 121.2° | 120.0° |
| CL1 | C16 | C15 | 118.5° | 120.0° |
| C17 | C16 | C15 | 120.4° | 120.0° |
| C16 | C17 | C18 | 119.8° | 120.0° |
| C16 | C17 | H18 | 120.1° | 120.0° |
| C16 | C15 | C14 | 120.0° | 120.0° |
| C16 | C15 | H17 | 120.0° | 120.0° |
| C17 | C18 | C13 | 119.4° | 120.0° |
| C18 | C17 | H18 | 120.1° | 120.0° |
| C17 | C18 | H19 | 120.3° | 120.0° |
| C15 | C14 | C13 | 119.9° | 120.1° |
| C15 | C14 | H15 | 120.1° | 120.0° |
| C14 | C15 | H17 | 120.0° | 120.0° |
| C18 | C13 | C14 | 120.6° | 120.0° |
| C18 | C13 | C12 | 121.1° | 119.9° |
| C13 | C18 | H19 | 120.3° | 120.0° |
| C14 | C13 | C12 | 118.3° | 120.0° |
| C13 | C14 | H15 | 120.0° | 120.0° |
| C13 | C12 | C11 | 109.7° | 109.5° |
| C13 | C12 | H13 | 109.4° | 109.4° |
| C13 | C12 | H14 | 109.4° | 109.5° |
| C12 | C11 | N3 | 117.7° | 109.7° |
| C12 | C11 | C10 | 116.4° | 109.7° |
| C12 | C11 | H12 | 100.4° | 109.7° |
| C11 | C12 | H13 | 109.4° | 109.4° |
| C11 | C12 | H14 | 109.4° | 109.5° |
| N3 | C11 | C10 | 115.9° | 108.3° |
| C11 | N3 | C19 | 131.0° | 115.3° |
| N3 | C11 | H12 | 101.0° | 109.7° |
| C11 | N3 | H32 | 114.5° | 122.3° |
| C11 | C10 | O2 | 118.4° | 119.6° |
| C11 | C10 | N2 | 122.6° | 120.7° |
| C10 | C11 | H12 | 100.4° | 109.7° |
| N3 | C19 | C20 | 126.8° | 119.0° |
| N3 | C19 | O3 | 116.2° | 120.5° |
| C19 | N3 | H32 | 114.5° | 122.4° |
| O2 | C10 | N2 | 119.0° | 119.7° |
| C10 | N2 | C9 | 123.0° | 119.9° |
| C10 | N2 | C28 | 119.9° | 120.2° |
| C20 | C19 | O3 | 117.0° | 120.5° |
| C19 | C20 | C21 | 108.6° | 109.3° |
| C19 | C20 | H20 | 109.7° | 109.5° |
| C19 | C20 | H21 | 109.7° | 109.5° |
| C20 | C21 | S2 | 107.8° | 109.5° |
| C21 | C20 | H20 | 109.7° | 109.6° |
| C21 | C20 | H21 | 109.7° | 109.5° |
| C20 | C21 | H22 | 109.9° | 109.5° |
| C20 | C21 | H23 | 109.9° | 109.4° |
| C9 | N2 | C28 | 117.1° | 119.9° |
| N2 | C9 | C8 | 108.6° | 109.7° |
| N2 | C9 | H10 | 109.7° | 109.4° |
| N2 | C9 | H11 | 109.7° | 109.4° |
| N2 | C28 | C29 | 107.4° | 108.1° |
| N2 | C28 | H30 | 110.0° | 109.7° |
| N2 | C28 | H31 | 110.0° | 109.7° |
| C21 | S2 | C22 | 112.8° | 103.0° |
| S2 | C21 | H22 | 109.9° | 109.5° |
| S2 | C21 | H23 | 109.9° | 109.5° |
| C9 | C8 | C7 | 123.5° | 109.6° |
| C9 | C8 | C30 | 109.9° | 110.0° |
| C9 | C8 | H9 | 95.1° | 108.9° |
| C8 | C9 | H10 | 109.7° | 109.4° |
| C8 | C9 | H11 | 109.7° | 109.4° |
| C28 | C29 | C30 | 109.9° | 108.6° |
| C29 | C28 | H30 | 110.0° | 109.7° |
| C29 | C28 | H31 | 110.0° | 109.8° |
| C28 | C29 | H33 | 109.4° | 109.6° |
| C28 | C29 | H34 | 109.4° | 109.6° |
| C6 | N1 | C7 | 119.2° | 116.6° |
| N1 | C6 | C5 | 110.8° | 109.8° |
| N1 | C6 | H7 | 109.2° | 109.5° |
| N1 | C6 | H8 | 109.1° | 109.4° |
| C6 | N1 | H16 | 120.5° | 121.8° |
| N1 | C7 | C8 | 120.4° | 119.6° |
| N1 | C7 | O1 | 119.7° | 120.1° |
| C7 | N1 | H16 | 120.4° | 121.7° |
| C7 | C8 | C30 | 124.3° | 109.8° |
| C8 | C7 | O1 | 119.9° | 120.2° |
| C7 | C8 | H9 | 95.1° | 108.9° |
| C8 | C30 | C29 | 112.1° | 110.2° |
| C30 | C8 | H9 | 95.0° | 109.5° |
| C8 | C30 | H35 | 108.8° | 109.3° |
| C8 | C30 | H36 | 108.8° | 109.3° |
| S2 | C22 | C23 | 107.3° | 109.3° |
| S2 | C22 | H24 | 110.0° | 109.5° |
| S2 | C22 | H25 | 110.0° | 109.6° |
| C6 | C5 | C4 | 118.4° | 119.5° |
| C6 | C5 | H6 | 120.8° | 120.5° |
| C5 | C6 | H7 | 109.1° | 109.4° |
| C5 | C6 | H8 | 109.1° | 109.4° |
| C5 | C4 | C3 | 120.1° | 120.3° |
| C5 | C4 | H5 | 120.0° | 119.7° |
| C4 | C5 | H6 | 120.8° | 120.0° |
| C30 | C29 | H33 | 109.4° | 109.6° |
| C30 | C29 | H34 | 109.4° | 109.8° |
| C29 | C30 | H35 | 108.8° | 109.3° |
| C29 | C30 | H36 | 108.8° | 109.4° |
| C4 | C3 | S1 | 110.0° | 109.5° |
| C4 | C3 | H3 | 109.4° | 109.5° |
| C4 | C3 | H4 | 109.4° | 109.5° |
| C3 | C4 | H5 | 120.0° | 119.9° |
| C3 | S1 | C2 | 112.2° | 103.1° |
| S1 | C3 | H3 | 109.3° | 109.5° |
| S1 | C3 | H4 | 109.4° | 109.5° |
| C22 | C23 | C26 | 119.0° | 119.8° |
| C22 | C23 | C24 | 120.8° | 120.1° |
| C23 | C22 | H24 | 110.0° | 109.5° |
| C23 | C22 | H25 | 110.0° | 109.5° |
| C23 | C26 | C27 | 120.0° | 120.0° |
| C26 | C23 | C24 | 120.2° | 120.0° |
| C23 | C26 | H28 | 120.0° | 120.0° |
| C26 | C27 | C1 | 120.1° | 120.0° |
| C27 | C26 | H28 | 120.0° | 120.0° |
| C26 | C27 | H29 | 119.9° | 120.0° |
| C23 | C24 | C25 | 119.8° | 119.9° |
| C23 | C24 | H26 | 120.1° | 120.1° |
| C27 | C1 | C25 | 120.2° | 120.0° |
| C27 | C1 | C2 | 118.8° | 120.0° |
| C1 | C27 | H29 | 119.9° | 120.0° |
| C24 | C25 | C1 | 119.7° | 120.0° |
| C25 | C24 | H26 | 120.1° | 120.0° |
| C24 | C25 | H27 | 120.1° | 120.0° |
| S1 | C2 | C1 | 109.8° | 109.6° |
| S1 | C2 | H1 | 109.4° | 109.4° |
| S1 | C2 | H2 | 109.4° | 109.4° |
| C25 | C1 | C2 | 120.9° | 120.0° |
| C1 | C25 | H27 | 120.2° | 120.0° |
| C1 | C2 | H1 | 109.4° | 109.5° |
| C1 | C2 | H2 | 109.4° | 109.5° |
| H1 | C2 | H2 | 109.5° | 109.4° |
| H3 | C3 | H4 | 109.4° | 109.4° |
| H7 | C6 | H8 | 109.5° | 109.4° |
| H10 | C9 | H11 | 109.5° | 109.4° |
| H13 | C12 | H14 | 109.5° | 109.5° |
| H20 | C20 | H21 | 109.5° | 109.5° |
| H22 | C21 | H23 | 109.5° | 109.5° |
| H24 | C22 | H25 | 109.5° | 109.5° |
| H30 | C28 | H31 | 109.5° | 109.8° |
| H33 | C29 | H34 | 109.5° | 109.6° |
| H35 | C30 | H36 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C16 | C17 | C15 | 180.0° | 179.7° |
| CL1 | C16 | C17 | C18 | 180.0° | 180.0° |
| CL1 | C16 | C15 | C14 | 180.0° | 179.7° |
| CL1 | C16 | C15 | H17 | 0.0° | 0.3° |
| CL1 | C16 | C17 | H18 | 0.0° | 0.3° |
| C16 | C17 | C18 | H18 | 180.0° | 179.8° |
| C17 | C16 | C15 | C14 | 0.1° | 0.0° |
| C16 | C17 | C18 | C13 | 0.1° | 0.5° |
| C17 | C16 | C15 | H17 | 179.9° | 180.0° |
| C16 | C17 | C18 | H19 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.0° | 0.2° |
| C16 | C15 | C14 | H17 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.1° | 0.0° |
| C16 | C15 | C14 | H15 | 179.9° | 180.0° |
| C15 | C16 | C17 | H18 | 180.0° | 180.0° |
| C17 | C18 | C13 | H19 | 180.0° | 179.5° |
| C17 | C18 | C13 | C14 | 0.0° | 0.6° |
| C17 | C18 | C13 | C12 | 179.9° | 179.8° |
| C15 | C14 | C13 | C18 | 0.1° | 0.3° |
| C15 | C14 | C13 | H15 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 180.0° | 180.0° |
| C18 | C13 | C14 | C12 | 179.9° | 179.7° |
| C18 | C13 | C12 | C11 | 71.1° | 90.3° |
| C18 | C13 | C12 | H13 | 49.0° | 149.7° |
| C18 | C13 | C12 | H14 | 168.9° | 29.7° |
| C18 | C13 | C14 | H15 | 180.0° | 179.7° |
| C13 | C18 | C17 | H18 | 179.9° | 179.7° |
| C14 | C13 | C12 | C11 | 109.0° | 90.0° |
| C14 | C13 | C12 | H13 | 131.0° | 29.9° |
| C14 | C13 | C12 | H14 | 11.0° | 150.0° |
| C13 | C14 | C15 | H17 | 179.9° | 180.0° |
| C14 | C13 | C18 | H19 | 180.0° | 179.9° |
| C13 | C12 | C11 | H13 | 120.0° | 119.9° |
| C13 | C12 | C11 | H14 | 120.0° | 120.1° |
| C13 | C12 | C11 | N3 | 39.5° | 64.9° |
| C13 | C12 | C11 | C10 | 176.2° | 176.2° |
| C13 | C12 | C11 | H12 | 68.9° | 55.6° |
| C13 | C12 | H13 | H14 | 119.9° | 120.0° |
| C12 | C13 | C14 | H15 | 0.0° | 0.1° |
| C12 | C13 | C18 | H19 | 0.1° | 0.3° |
| C12 | C11 | N3 | C10 | 144.5° | 119.8° |
| C12 | C11 | N3 | H12 | 108.1° | 120.5° |
| C12 | C11 | C10 | H12 | 107.3° | 120.5° |
| C12 | C11 | N3 | C19 | 63.3° | 130.4° |
| C12 | C11 | C10 | O2 | 4.6° | 118.8° |
| C12 | C11 | C10 | N2 | 174.3° | 61.1° |
| C11 | C12 | H13 | H14 | 119.9° | 120.0° |
| C12 | C11 | N3 | H32 | 116.7° | 49.6° |
| N3 | C11 | C10 | H12 | 107.7° | 119.7° |
| C11 | N3 | C19 | H32 | 180.0° | 180.0° |
| N3 | C11 | C10 | O2 | 140.4° | 0.9° |
| N3 | C11 | C10 | N2 | 40.7° | 179.1° |
| C11 | N3 | C19 | C20 | 1.6° | 179.3° |
| C11 | N3 | C19 | O3 | 178.5° | 0.7° |
| N3 | C11 | C12 | H13 | 159.5° | 55.0° |
| N3 | C11 | C12 | H14 | 80.5° | 175.0° |
| C10 | C11 | N3 | C19 | 81.2° | 109.9° |
| C11 | C10 | O2 | N2 | 179.0° | 179.9° |
| C11 | C10 | N2 | C9 | 1.0° | 179.8° |
| C11 | C10 | N2 | C28 | 179.6° | 0.0° |
| C10 | C11 | C12 | H13 | 56.2° | 63.9° |
| C10 | C11 | C12 | H14 | 63.8° | 56.1° |
| C10 | C11 | N3 | H32 | 98.8° | 70.1° |
| N3 | C19 | C20 | O3 | 179.8° | 179.9° |
| N3 | C19 | C20 | C21 | 152.9° | 165.0° |
| C19 | N3 | C11 | H12 | 171.4° | 9.9° |
| N3 | C19 | C20 | H20 | 33.0° | 45.0° |
| N3 | C19 | C20 | H21 | 87.2° | 75.1° |
| O2 | C10 | N2 | C9 | 179.9° | 0.1° |
| O2 | C10 | N2 | C28 | 1.4° | 179.9° |
| O2 | C10 | C11 | H12 | 111.9° | 120.7° |
| C10 | N2 | C9 | C28 | 178.7° | 179.8° |
| C10 | N2 | C9 | C8 | 104.0° | 120.4° |
| C10 | N2 | C28 | C29 | 132.5° | 142.2° |
| C10 | N2 | C9 | H10 | 15.9° | 0.4° |
| C10 | N2 | C9 | H11 | 136.1° | 119.6° |
| N2 | C10 | C11 | H12 | 67.0° | 59.4° |
| C10 | N2 | C28 | H30 | 107.8° | 22.6° |
| C10 | N2 | C28 | H31 | 12.9° | 98.1° |
| C19 | C20 | C21 | H20 | 119.9° | 120.0° |
| C19 | C20 | C21 | H21 | 119.9° | 119.9° |
| C19 | C20 | C21 | S2 | 91.0° | 133.0° |
| C19 | C20 | H20 | H21 | 120.4° | 120.0° |
| C19 | C20 | C21 | H22 | 149.2° | 107.0° |
| C19 | C20 | C21 | H23 | 28.7° | 13.0° |
| C20 | C19 | N3 | H32 | 178.4° | 0.7° |
| O3 | C19 | C20 | C21 | 27.3° | 14.9° |
| O3 | C19 | C20 | H20 | 147.1° | 135.0° |
| O3 | C19 | C20 | H21 | 92.6° | 104.9° |
| O3 | C19 | N3 | H32 | 1.5° | 179.3° |
| C20 | C21 | S2 | H22 | 119.8° | 120.0° |
| C20 | C21 | S2 | H23 | 119.7° | 120.0° |
| C20 | C21 | S2 | C22 | 177.7° | 177.7° |
| C21 | C20 | H20 | H21 | 120.4° | 120.1° |
| C20 | C21 | H22 | H23 | 120.8° | 120.0° |
| N2 | C9 | C8 | H10 | 119.9° | 120.0° |
| N2 | C9 | C8 | H11 | 119.9° | 120.1° |
| C9 | N2 | C28 | C29 | 46.2° | 37.9° |
| N2 | C9 | C8 | C7 | 170.0° | 109.0° |
| N2 | C9 | C8 | C30 | 26.8° | 11.9° |
| N2 | C9 | C8 | H9 | 70.4° | 131.9° |
| N2 | C9 | H10 | H11 | 120.4° | 119.9° |
| C9 | N2 | C28 | H30 | 73.5° | 157.6° |
| C9 | N2 | C28 | H31 | 165.8° | 81.8° |
| C28 | N2 | C9 | C8 | 74.7° | 59.8° |
| N2 | C28 | C29 | H30 | 119.7° | 119.6° |
| N2 | C28 | C29 | H31 | 119.7° | 119.7° |
| N2 | C28 | C29 | C30 | 19.6° | 25.7° |
| C28 | N2 | C9 | H10 | 165.5° | 179.8° |
| C28 | N2 | C9 | H11 | 45.2° | 60.3° |
| N2 | C28 | H30 | H31 | 121.0° | 120.6° |
| N2 | C28 | C29 | H33 | 100.5° | 145.4° |
| N2 | C28 | C29 | H34 | 139.6° | 94.3° |
| C21 | S2 | C22 | C23 | 79.3° | 102.7° |
| S2 | C21 | C20 | H20 | 28.9° | 13.1° |
| S2 | C21 | C20 | H21 | 149.1° | 107.1° |
| S2 | C21 | H22 | H23 | 120.8° | 120.0° |
| C21 | S2 | C22 | H24 | 161.0° | 17.3° |
| C21 | S2 | C22 | H25 | 40.3° | 137.3° |
| C9 | C8 | C7 | N1 | 66.9° | 166.4° |
| C9 | C8 | C7 | C30 | 160.8° | 120.9° |
| C9 | C8 | C7 | H9 | 99.5° | 119.1° |
| C9 | C8 | C30 | H9 | 97.3° | 119.7° |
| C9 | C8 | C7 | O1 | 112.5° | 13.7° |
| C9 | C8 | C30 | C29 | 33.0° | 47.5° |
| C8 | C9 | H10 | H11 | 120.4° | 119.9° |
| C9 | C8 | C30 | H35 | 87.3° | 167.6° |
| C9 | C8 | C30 | H36 | 153.4° | 72.8° |
| C28 | C29 | C30 | C8 | 58.7° | 69.5° |
| C28 | C29 | C30 | H33 | 120.1° | 119.7° |
| C28 | C29 | C30 | H34 | 120.0° | 119.8° |
| C29 | C28 | H30 | H31 | 121.0° | 120.7° |
| C28 | C29 | H33 | H34 | 119.8° | 120.3° |
| C28 | C29 | C30 | H35 | 61.7° | 170.3° |
| C28 | C29 | C30 | H36 | 179.1° | 50.7° |
| C6 | N1 | C7 | H16 | 180.0° | 180.0° |
| C6 | N1 | C7 | C8 | 179.2° | 175.0° |
| N1 | C6 | C5 | H7 | 120.2° | 120.2° |
| N1 | C6 | C5 | H8 | 120.2° | 120.0° |
| N1 | C6 | C5 | C4 | 177.6° | 168.3° |
| C6 | N1 | C7 | O1 | 0.2° | 4.9° |
| N1 | C6 | C5 | H6 | 2.4° | 11.8° |
| N1 | C6 | H7 | H8 | 119.4° | 119.8° |
| N1 | C7 | C8 | O1 | 179.3° | 179.9° |
| N1 | C7 | C8 | C30 | 132.3° | 45.4° |
| C7 | N1 | C6 | C5 | 109.9° | 108.7° |
| C7 | N1 | C6 | H7 | 129.9° | 11.5° |
| C7 | N1 | C6 | H8 | 10.3° | 131.4° |
| N1 | C7 | C8 | H9 | 32.7° | 74.5° |
| C7 | C8 | C30 | H9 | 99.6° | 119.6° |
| C7 | C8 | C30 | C29 | 130.0° | 168.2° |
| C7 | C8 | C9 | H10 | 50.1° | 11.1° |
| C7 | C8 | C9 | H11 | 70.2° | 131.0° |
| C8 | C7 | N1 | H16 | 0.8° | 5.1° |
| C7 | C8 | C30 | H35 | 109.6° | 71.6° |
| C7 | C8 | C30 | H36 | 9.7° | 48.0° |
| C30 | C8 | C7 | O1 | 48.4° | 134.6° |
| C8 | C30 | C29 | H35 | 120.4° | 120.2° |
| C8 | C30 | C29 | H36 | 120.4° | 120.2° |
| C30 | C8 | C9 | H10 | 146.7° | 131.9° |
| C30 | C8 | C9 | H11 | 93.1° | 108.2° |
| C8 | C30 | C29 | H33 | 61.4° | 170.8° |
| C8 | C30 | C29 | H34 | 178.8° | 50.4° |
| C8 | C30 | H35 | H36 | 118.8° | 119.6° |
| S2 | C22 | C23 | H24 | 119.7° | 120.0° |
| S2 | C22 | C23 | H25 | 119.7° | 120.0° |
| S2 | C22 | C23 | C26 | 109.2° | 52.7° |
| S2 | C22 | C23 | C24 | 69.9° | 127.6° |
| C22 | S2 | C21 | H22 | 57.9° | 57.7° |
| C22 | S2 | C21 | H23 | 62.6° | 62.3° |
| S2 | C22 | H24 | H25 | 121.0° | 120.1° |
| C6 | C5 | C4 | H6 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 179.9° | 179.7° |
| C6 | C5 | C4 | H5 | 0.1° | 0.2° |
| C5 | C6 | H7 | H8 | 119.4° | 119.8° |
| C5 | C6 | N1 | H16 | 70.1° | 71.3° |
| C5 | C4 | C3 | H5 | 180.0° | 179.9° |
| C5 | C4 | C3 | S1 | 104.3° | 151.7° |
| C5 | C4 | C3 | H3 | 15.8° | 31.6° |
| C5 | C4 | C3 | H4 | 135.6° | 88.3° |
| C4 | C5 | C6 | H7 | 62.2° | 48.1° |
| C4 | C5 | C6 | H8 | 57.4° | 71.7° |
| O1 | C7 | C8 | H9 | 148.0° | 105.4° |
| O1 | C7 | N1 | H16 | 179.9° | 175.0° |
| C29 | C30 | C8 | H9 | 130.3° | 72.2° |
| C30 | C29 | C28 | H30 | 139.3° | 93.9° |
| C30 | C29 | C28 | H31 | 100.1° | 145.3° |
| C30 | C29 | H33 | H34 | 119.8° | 120.6° |
| C29 | C30 | H35 | H36 | 118.8° | 119.7° |
| C4 | C3 | S1 | H3 | 120.1° | 120.0° |
| C4 | C3 | S1 | H4 | 120.1° | 120.0° |
| C4 | C3 | S1 | C2 | 31.2° | 170.0° |
| C4 | C3 | H3 | H4 | 119.8° | 120.0° |
| C3 | C4 | C5 | H6 | 0.1° | 0.3° |
| C3 | S1 | C2 | C1 | 63.6° | 86.4° |
| C3 | S1 | C2 | H1 | 176.3° | 153.4° |
| C3 | S1 | C2 | H2 | 56.4° | 33.6° |
| S1 | C3 | H3 | H4 | 119.8° | 120.0° |
| S1 | C3 | C4 | H5 | 75.7° | 28.2° |
| C22 | C23 | C26 | C24 | 179.2° | 179.8° |
| C22 | C23 | C26 | C27 | 179.6° | 179.7° |
| C22 | C23 | C24 | C25 | 179.5° | 179.9° |
| C23 | C22 | H24 | H25 | 121.0° | 120.0° |
| C22 | C23 | C24 | H26 | 0.5° | 0.3° |
| C22 | C23 | C26 | H28 | 0.4° | 0.3° |
| C23 | C26 | C27 | H28 | 180.0° | 179.4° |
| C23 | C26 | C27 | C1 | 0.3° | 0.4° |
| C26 | C23 | C24 | C25 | 0.3° | 0.3° |
| C26 | C23 | C22 | H24 | 131.1° | 172.6° |
| C26 | C23 | C22 | H25 | 10.4° | 67.3° |
| C26 | C23 | C24 | H26 | 179.7° | 180.0° |
| C23 | C26 | C27 | H29 | 179.7° | 179.6° |
| C27 | C26 | C23 | C24 | 0.5° | 0.5° |
| C26 | C27 | C1 | H29 | 180.0° | 180.0° |
| C26 | C27 | C1 | C25 | 0.0° | 0.1° |
| C26 | C27 | C1 | C2 | 179.6° | 179.6° |
| C23 | C24 | C25 | H26 | 180.0° | 179.7° |
| C23 | C24 | C25 | C1 | 0.0° | 0.1° |
| C24 | C23 | C22 | H24 | 49.7° | 7.6° |
| C24 | C23 | C22 | H25 | 170.4° | 112.5° |
| C23 | C24 | C25 | H27 | 180.0° | 180.0° |
| C24 | C23 | C26 | H28 | 179.5° | 179.9° |
| C27 | C1 | C25 | C24 | 0.2° | 0.2° |
| C27 | C1 | C2 | S1 | 22.2° | 54.5° |
| C27 | C1 | C25 | C2 | 179.6° | 179.7° |
| C27 | C1 | C2 | H1 | 97.9° | 65.6° |
| C27 | C1 | C2 | H2 | 142.2° | 174.4° |
| C27 | C1 | C25 | H27 | 179.8° | 179.9° |
| C1 | C27 | C26 | H28 | 179.7° | 179.8° |
| C24 | C25 | C1 | H27 | 180.0° | 179.9° |
| C24 | C25 | C1 | C2 | 179.7° | 179.8° |
| S1 | C2 | C1 | C25 | 157.4° | 125.9° |
| S1 | C2 | C1 | H1 | 120.1° | 120.1° |
| S1 | C2 | C1 | H2 | 120.0° | 120.0° |
| S1 | C2 | H1 | H2 | 119.8° | 119.8° |
| C2 | S1 | C3 | H3 | 88.9° | 49.9° |
| C2 | S1 | C3 | H4 | 151.3° | 70.1° |
| C25 | C1 | C2 | H1 | 82.5° | 114.1° |
| C25 | C1 | C2 | H2 | 37.4° | 5.9° |
| C1 | C25 | C24 | H26 | 180.0° | 179.6° |
| C25 | C1 | C27 | H29 | 180.0° | 180.0° |
| C1 | C2 | H1 | H2 | 119.9° | 120.0° |
| C2 | C1 | C25 | H27 | 0.3° | 0.2° |
| C2 | C1 | C27 | H29 | 0.4° | 0.4° |
| H3 | C3 | C4 | H5 | 164.2° | 148.3° |
| H4 | C3 | C4 | H5 | 44.4° | 91.8° |
| H5 | C4 | C5 | H6 | 179.9° | 179.8° |
| H6 | C5 | C6 | H7 | 117.8° | 131.9° |
| H6 | C5 | C6 | H8 | 122.6° | 108.2° |
| H7 | C6 | N1 | H16 | 50.1° | 168.6° |
| H8 | C6 | N1 | H16 | 169.7° | 48.7° |
| H9 | C8 | C9 | H10 | 49.4° | 108.0° |
| H9 | C8 | C9 | H11 | 169.7° | 11.9° |
| H9 | C8 | C30 | H35 | 9.9° | 47.9° |
| H9 | C8 | C30 | H36 | 109.3° | 167.5° |
| H12 | C11 | C12 | H13 | 51.1° | 175.5° |
| H12 | C11 | C12 | H14 | 171.1° | 64.5° |
| H12 | C11 | N3 | H32 | 8.7° | 170.1° |
| H15 | C14 | C15 | H17 | 0.1° | 0.0° |
| H18 | C17 | C18 | H19 | 0.1° | 0.2° |
| H20 | C20 | C21 | H22 | 90.9° | 133.1° |
| H20 | C20 | C21 | H23 | 148.6° | 106.9° |
| H21 | C20 | C21 | H22 | 29.4° | 12.9° |
| H21 | C20 | C21 | H23 | 91.2° | 132.9° |
| H26 | C24 | C25 | H27 | 0.0° | 0.3° |
| H28 | C26 | C27 | H29 | 0.3° | 0.2° |
| H30 | C28 | C29 | H33 | 19.2° | 25.8° |
| H30 | C28 | C29 | H34 | 100.7° | 146.1° |
| H31 | C28 | C29 | H33 | 139.9° | 95.0° |
| H31 | C28 | C29 | H34 | 20.0° | 25.4° |
| H33 | C29 | C30 | H35 | 178.2° | 50.7° |
| H33 | C29 | C30 | H36 | 59.0° | 69.0° |
| H34 | C29 | C30 | H35 | 58.3° | 69.8° |
| H34 | C29 | C30 | H36 | 60.9° | 170.5° |
