OG5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C8 | doub | 1.21Å | 1.23Å | |
| O | S | doub | 1.42Å | 1.43Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C7 | C | sing | 1.53Å | 1.54Å | |
| C8 | N1 | sing | 1.35Å | 1.33Å | |
| N | S | sing | 1.66Å | 1.61Å | |
| N | C | sing | 1.46Å | 1.48Å | |
| S | O1 | doub | 1.42Å | 1.43Å | |
| S | C20 | sing | 1.76Å | 1.76Å | |
| C | C1 | sing | 1.51Å | 1.52Å | |
| N1 | C9 | sing | 1.46Å | 1.45Å | |
| C28 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | C10 | sing | 1.47Å | 1.48Å | |
| C11 | C10 | sing | 1.53Å | 1.55Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C16 | sing | 1.53Å | 1.53Å | |
| C10 | C18 | sing | 1.53Å | 1.55Å | |
| O4 | C26 | doub | 1.21Å | 1.22Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C21 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| C22 | N4 | sing | 1.40Å | 1.44Å | |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C26 | N4 | sing | 1.34Å | 1.39Å | |
| C26 | C25 | sing | 1.51Å | 1.50Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C13 | C19 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| N4 | C23 | sing | 1.34Å | 1.40Å | |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.54Å | 1.52Å | |
| C15 | C17 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.51Å | 1.50Å | |
| C23 | O3 | doub | 1.21Å | 1.22Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | H2 | sing | 1.01Å | 1.00Å | |
| N2 | H3 | sing | 1.01Å | 1.00Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 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 | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.08Å | 1.08Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.08Å | 1.08Å | |
| C28 | H30 | sing | 1.08Å | 1.08Å | |
| N | H31 | sing | 0.97Å | 1.00Å | |
| C | H32 | sing | 1.09Å | 1.10Å | |
| C2 | H33 | sing | 1.08Å | 1.08Å | |
| C4 | H34 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C8 | C7 | 121.4° | 120.0° |
| O2 | C8 | N1 | 122.7° | 120.0° |
| O | S | N | 106.5° | 106.4° |
| O | S | O1 | 119.5° | 123.2° |
| O | S | C20 | 107.9° | 106.4° |
| C8 | C7 | C | 120.1° | 109.5° |
| C7 | C8 | N1 | 115.9° | 120.0° |
| C8 | C7 | H8 | 106.7° | 109.5° |
| C8 | C7 | H9 | 106.7° | 109.4° |
| C7 | C | N | 109.2° | 109.5° |
| C7 | C | C1 | 112.8° | 109.5° |
| C | C7 | H8 | 106.8° | 109.5° |
| C | C7 | H9 | 106.7° | 109.4° |
| C7 | C | H32 | 107.0° | 109.5° |
| C8 | N1 | C9 | 122.7° | 120.0° |
| C8 | N1 | H1 | 118.6° | 120.0° |
| S | N | C | 121.2° | 120.0° |
| N | S | O1 | 106.7° | 106.4° |
| N | S | C20 | 107.6° | 107.2° |
| S | N | H31 | 106.5° | 120.0° |
| N | C | C1 | 112.5° | 109.5° |
| C | N | H31 | 106.5° | 120.0° |
| N | C | H32 | 107.8° | 109.5° |
| O1 | S | C20 | 108.0° | 106.4° |
| S | C20 | C28 | 120.2° | 120.3° |
| S | C20 | C21 | 120.6° | 120.4° |
| C | C1 | C2 | 120.9° | 120.0° |
| C | C1 | C6 | 120.5° | 120.0° |
| C1 | C | H32 | 107.3° | 109.5° |
| N1 | C9 | C10 | 117.8° | 109.5° |
| C9 | N1 | H1 | 118.7° | 120.0° |
| N1 | C9 | H10 | 107.4° | 109.5° |
| N1 | C9 | H11 | 107.4° | 109.5° |
| C20 | C28 | C27 | 119.2° | 118.5° |
| C28 | C20 | C21 | 119.1° | 119.3° |
| C20 | C28 | H30 | 120.4° | 120.7° |
| C28 | C27 | C22 | 117.7° | 119.1° |
| C28 | C27 | H29 | 121.2° | 120.4° |
| C27 | C28 | H30 | 120.4° | 120.8° |
| C9 | C10 | N2 | 113.3° | 109.5° |
| C9 | C10 | C11 | 107.7° | 109.4° |
| C9 | C10 | C18 | 110.2° | 109.5° |
| C10 | C9 | H10 | 107.4° | 109.4° |
| C10 | C9 | H11 | 107.4° | 109.4° |
| C20 | C21 | N3 | 122.7° | 120.9° |
| C20 | C21 | H26 | 118.6° | 119.6° |
| C1 | C2 | C3 | 120.6° | 120.0° |
| C2 | C1 | C6 | 118.5° | 119.9° |
| C1 | C2 | H33 | 119.7° | 120.0° |
| C2 | C3 | C4 | 120.2° | 120.0° |
| C2 | C3 | H5 | 119.9° | 120.0° |
| C3 | C2 | H33 | 119.7° | 120.0° |
| C27 | C22 | N3 | 123.8° | 120.7° |
| C27 | C22 | N4 | 119.8° | 119.7° |
| C22 | C27 | H29 | 121.2° | 120.5° |
| C1 | C6 | C5 | 120.6° | 120.0° |
| C1 | C6 | H7 | 119.7° | 120.0° |
| N2 | C10 | C11 | 109.4° | 109.4° |
| N2 | C10 | C18 | 108.5° | 109.5° |
| C10 | N2 | H2 | 109.5° | 111.0° |
| C10 | N2 | H3 | 109.5° | 111.0° |
| C10 | C11 | C12 | 109.8° | 109.5° |
| C10 | C11 | C16 | 110.3° | 109.5° |
| C11 | C10 | C18 | 107.6° | 109.5° |
| C10 | C11 | H12 | 109.2° | 109.5° |
| C12 | C11 | C16 | 108.6° | 109.4° |
| C11 | C12 | C13 | 109.9° | 109.5° |
| C12 | C11 | H12 | 109.5° | 109.5° |
| C11 | C12 | H13 | 109.4° | 109.5° |
| C11 | C12 | H14 | 109.3° | 109.5° |
| C11 | C16 | C15 | 109.8° | 109.5° |
| C16 | C11 | H12 | 109.4° | 109.5° |
| C11 | C16 | H19 | 109.4° | 109.4° |
| C11 | C16 | H20 | 109.4° | 109.5° |
| C10 | C18 | C19 | 109.9° | 109.5° |
| C10 | C18 | C17 | 110.1° | 109.5° |
| C10 | C18 | H23 | 109.3° | 109.4° |
| O4 | C26 | N4 | 124.2° | 125.4° |
| O4 | C26 | C25 | 127.9° | 125.4° |
| C12 | C13 | C19 | 109.5° | 109.5° |
| C12 | C13 | C14 | 109.4° | 109.5° |
| C13 | C12 | H13 | 109.4° | 109.5° |
| C13 | C12 | H14 | 109.4° | 109.5° |
| C12 | C13 | H15 | 109.5° | 109.5° |
| C21 | N3 | C22 | 117.4° | 121.6° |
| N3 | C21 | H26 | 118.6° | 119.5° |
| C3 | C4 | C5 | 119.7° | 120.0° |
| C4 | C3 | H5 | 119.9° | 120.1° |
| C3 | C4 | H34 | 120.1° | 120.0° |
| N3 | C22 | N4 | 116.3° | 119.7° |
| C22 | N4 | C26 | 123.4° | 122.8° |
| C22 | N4 | C23 | 123.5° | 122.8° |
| C6 | C5 | C4 | 120.3° | 120.0° |
| C6 | C5 | H6 | 119.9° | 120.0° |
| C5 | C6 | H7 | 119.7° | 120.0° |
| C16 | C15 | C17 | 109.5° | 109.5° |
| C16 | C15 | C14 | 109.5° | 109.4° |
| C16 | C15 | H18 | 109.5° | 109.5° |
| C15 | C16 | H19 | 109.4° | 109.5° |
| C15 | C16 | H20 | 109.4° | 109.5° |
| N4 | C26 | C25 | 107.9° | 109.2° |
| C26 | N4 | C23 | 113.1° | 114.5° |
| C26 | C25 | C24 | 105.5° | 103.6° |
| C26 | C25 | H28 | 110.5° | 110.8° |
| C26 | C25 | H35 | 110.4° | 110.5° |
| C19 | C18 | C17 | 108.4° | 109.5° |
| C18 | C19 | C13 | 109.9° | 109.4° |
| C19 | C18 | H23 | 109.6° | 109.4° |
| C18 | C19 | H24 | 109.4° | 109.5° |
| C18 | C19 | H25 | 109.3° | 109.5° |
| C18 | C17 | C15 | 110.0° | 109.5° |
| C18 | C17 | H21 | 109.3° | 109.5° |
| C18 | C17 | H22 | 109.3° | 109.5° |
| C17 | C18 | H23 | 109.6° | 109.5° |
| C19 | C13 | C14 | 109.5° | 109.5° |
| C19 | C13 | H15 | 109.4° | 109.4° |
| C13 | C19 | H24 | 109.3° | 109.5° |
| C13 | C19 | H25 | 109.4° | 109.5° |
| C13 | C14 | C15 | 109.3° | 109.4° |
| C14 | C13 | H15 | 109.5° | 109.4° |
| C13 | C14 | H16 | 109.5° | 109.5° |
| C13 | C14 | H17 | 109.5° | 109.4° |
| N4 | C23 | C24 | 107.8° | 109.2° |
| N4 | C23 | O3 | 124.2° | 125.4° |
| C4 | C5 | H6 | 119.9° | 120.0° |
| C5 | C4 | H34 | 120.1° | 120.1° |
| C25 | C24 | C23 | 105.7° | 103.5° |
| C25 | C24 | H27 | 110.4° | 110.7° |
| C24 | C25 | H28 | 110.4° | 110.6° |
| C25 | C24 | H4 | 110.4° | 110.8° |
| C24 | C25 | H35 | 110.5° | 110.6° |
| C17 | C15 | C14 | 109.5° | 109.5° |
| C17 | C15 | H18 | 109.4° | 109.5° |
| C15 | C17 | H21 | 109.4° | 109.5° |
| C15 | C17 | H22 | 109.3° | 109.5° |
| C15 | C14 | H16 | 109.5° | 109.5° |
| C15 | C14 | H17 | 109.5° | 109.5° |
| C14 | C15 | H18 | 109.4° | 109.4° |
| C24 | C23 | O3 | 128.0° | 125.4° |
| C23 | C24 | H27 | 110.4° | 110.6° |
| C23 | C24 | H4 | 110.4° | 110.5° |
| H2 | N2 | H3 | 109.5° | 111.0° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H10 | C9 | H11 | 109.5° | 109.5° |
| H13 | C12 | H14 | 109.5° | 109.5° |
| H16 | C14 | H17 | 109.5° | 109.5° |
| H19 | C16 | H20 | 109.5° | 109.5° |
| H21 | C17 | H22 | 109.5° | 109.4° |
| H24 | C19 | H25 | 109.5° | 109.5° |
| H27 | C24 | H4 | 109.4° | 110.6° |
| H28 | C25 | H35 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C8 | C7 | N1 | 179.6° | 179.9° |
| O2 | C8 | C7 | C | 151.5° | 0.0° |
| O2 | C8 | N1 | C9 | 6.1° | 0.1° |
| O2 | C8 | N1 | H1 | 174.0° | 179.7° |
| O2 | C8 | C7 | H8 | 87.0° | 120.0° |
| O2 | C8 | C7 | H9 | 30.0° | 120.0° |
| O | S | N | O1 | 128.7° | 133.0° |
| O | S | N | C20 | 115.6° | 113.5° |
| O | S | N | C | 129.3° | 48.5° |
| O | S | O1 | C20 | 123.8° | 123.0° |
| O | S | C20 | C28 | 44.0° | 23.2° |
| O | S | C20 | C21 | 132.6° | 156.5° |
| O | S | N | H31 | 109.1° | 131.5° |
| C8 | C7 | C | H8 | 121.5° | 120.1° |
| C8 | C7 | C | H9 | 121.5° | 120.0° |
| C8 | C7 | C | N | 167.3° | 65.0° |
| C8 | C7 | C | C1 | 41.5° | 175.0° |
| C7 | C8 | N1 | C9 | 174.4° | 180.0° |
| C7 | C8 | N1 | H1 | 5.6° | 0.4° |
| C8 | C7 | H8 | H9 | 115.2° | 120.0° |
| C8 | C7 | C | H32 | 76.3° | 55.0° |
| C | C7 | C8 | N1 | 28.1° | 180.0° |
| C7 | C | N | S | 125.3° | 145.0° |
| C7 | C | N | C1 | 126.0° | 120.0° |
| C7 | C | N | H32 | 115.9° | 120.0° |
| C7 | C | C1 | H32 | 117.6° | 120.0° |
| C7 | C | C1 | C2 | 30.9° | 79.2° |
| C7 | C | C1 | C6 | 146.8° | 100.0° |
| C | C7 | H8 | H9 | 115.2° | 120.0° |
| C7 | C | N | H31 | 113.0° | 35.0° |
| C8 | N1 | C9 | H1 | 180.0° | 179.6° |
| C8 | N1 | C9 | C10 | 103.2° | 179.7° |
| N1 | C8 | C7 | H8 | 93.4° | 59.9° |
| N1 | C8 | C7 | H9 | 149.6° | 60.1° |
| C8 | N1 | C9 | H10 | 18.0° | 60.4° |
| C8 | N1 | C9 | H11 | 135.7° | 59.7° |
| S | N | C | H31 | 121.6° | 180.0° |
| N | S | O1 | C20 | 115.5° | 114.0° |
| S | N | C | C1 | 108.7° | 95.0° |
| N | S | C20 | C28 | 70.7° | 90.3° |
| N | S | C20 | C21 | 112.7° | 90.0° |
| S | N | C | H32 | 9.4° | 25.0° |
| C | N | S | O1 | 0.6° | 178.5° |
| C | N | S | C20 | 115.2° | 65.0° |
| N | C | C1 | H32 | 118.4° | 120.0° |
| N | C | C1 | C2 | 93.2° | 40.8° |
| N | C | C1 | C6 | 89.1° | 140.0° |
| N | C | C7 | H8 | 71.2° | 55.0° |
| N | C | C7 | H9 | 45.8° | 175.0° |
| O1 | S | C20 | C28 | 174.5° | 156.2° |
| O1 | S | C20 | C21 | 2.1° | 23.5° |
| O1 | S | N | H31 | 122.2° | 1.5° |
| S | C20 | C28 | C21 | 176.7° | 179.6° |
| S | C20 | C28 | C27 | 175.0° | 179.7° |
| S | C20 | C21 | N3 | 174.9° | 179.7° |
| S | C20 | C21 | H26 | 5.1° | 0.4° |
| S | C20 | C28 | H30 | 4.9° | 0.3° |
| C20 | S | N | H31 | 6.5° | 115.0° |
| C | C1 | C2 | C6 | 177.8° | 179.2° |
| C | C1 | C2 | C3 | 176.1° | 179.7° |
| C | C1 | C6 | C5 | 176.7° | 180.0° |
| C | C1 | C6 | H7 | 3.2° | 0.5° |
| C1 | C | C7 | H8 | 163.0° | 65.0° |
| C1 | C | C7 | H9 | 80.0° | 55.0° |
| C1 | C | N | H31 | 12.9° | 85.0° |
| C | C1 | C2 | H33 | 3.9° | 0.3° |
| N1 | C9 | C10 | H10 | 121.2° | 119.9° |
| N1 | C9 | C10 | H11 | 121.2° | 120.0° |
| N1 | C9 | C10 | N2 | 47.4° | 55.0° |
| N1 | C9 | C10 | C11 | 168.5° | 64.9° |
| N1 | C9 | C10 | C18 | 74.4° | 175.0° |
| N1 | C9 | H10 | H11 | 116.2° | 120.1° |
| C20 | C28 | C27 | H30 | 180.0° | 180.0° |
| C20 | C28 | C27 | C22 | 0.0° | 0.0° |
| C28 | C20 | C21 | N3 | 1.8° | 0.1° |
| C28 | C20 | C21 | H26 | 178.2° | 180.0° |
| C20 | C28 | C27 | H29 | 180.0° | 179.9° |
| C27 | C28 | C20 | C21 | 1.7° | 0.1° |
| C28 | C27 | C22 | H29 | 180.0° | 179.9° |
| C28 | C27 | C22 | N3 | 1.8° | 0.0° |
| C28 | C27 | C22 | N4 | 175.5° | 180.0° |
| C9 | C10 | N2 | C11 | 120.2° | 119.9° |
| C9 | C10 | N2 | C18 | 122.7° | 120.0° |
| C9 | C10 | C11 | C18 | 118.8° | 120.0° |
| C9 | C10 | C11 | C12 | 58.6° | 60.0° |
| C9 | C10 | C11 | C16 | 178.3° | 180.0° |
| C9 | C10 | C18 | C19 | 57.2° | 60.0° |
| C9 | C10 | C18 | C17 | 176.5° | 180.0° |
| C10 | C9 | N1 | H1 | 76.9° | 0.0° |
| C9 | C10 | N2 | H2 | 180.0° | 60.0° |
| C9 | C10 | N2 | H3 | 60.0° | 176.0° |
| C10 | C9 | H10 | H11 | 116.2° | 120.0° |
| C9 | C10 | C11 | H12 | 61.4° | 60.0° |
| C9 | C10 | C18 | H23 | 63.1° | 60.0° |
| C20 | C21 | N3 | H26 | 180.0° | 179.9° |
| C20 | C21 | N3 | C22 | 0.1° | 0.1° |
| C21 | C20 | C28 | H30 | 178.4° | 180.0° |
| C1 | C2 | C3 | H33 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 1.0° | 0.0° |
| C2 | C1 | C6 | C5 | 1.0° | 0.8° |
| C1 | C2 | C3 | H5 | 179.0° | 179.7° |
| C2 | C1 | C6 | H7 | 179.0° | 179.7° |
| C2 | C1 | C | H32 | 148.5° | 160.8° |
| C3 | C2 | C1 | C6 | 1.7° | 0.5° |
| C2 | C3 | C4 | H5 | 180.0° | 179.7° |
| C2 | C3 | C4 | C5 | 0.3° | 0.2° |
| C2 | C3 | C4 | H34 | 179.7° | 179.7° |
| C27 | C22 | N3 | C21 | 1.7° | 0.0° |
| C27 | C22 | N3 | N4 | 177.3° | 180.0° |
| C27 | C22 | N4 | C26 | 48.8° | 167.0° |
| C27 | C22 | N4 | C23 | 130.8° | 12.7° |
| C22 | C27 | C28 | H30 | 180.0° | 180.0° |
| C1 | C6 | C5 | H7 | 180.0° | 179.5° |
| C1 | C6 | C5 | C4 | 0.2° | 0.6° |
| C1 | C6 | C5 | H6 | 179.8° | 179.5° |
| C6 | C1 | C | H32 | 29.3° | 20.0° |
| C6 | C1 | C2 | H33 | 178.4° | 179.5° |
| N2 | C10 | C11 | C18 | 117.7° | 120.0° |
| N2 | C10 | C11 | C12 | 177.8° | 180.0° |
| N2 | C10 | C11 | C16 | 58.2° | 60.1° |
| N2 | C10 | C18 | C19 | 178.2° | 180.0° |
| N2 | C10 | C18 | C17 | 59.0° | 60.0° |
| C10 | N2 | H2 | H3 | 120.0° | 124.0° |
| N2 | C10 | C9 | H10 | 73.8° | 174.9° |
| N2 | C10 | C9 | H11 | 168.6° | 65.0° |
| N2 | C10 | C11 | H12 | 62.1° | 60.0° |
| N2 | C10 | C18 | H23 | 61.5° | 60.0° |
| C10 | C11 | C12 | C16 | 120.7° | 120.0° |
| C10 | C11 | C12 | H12 | 119.9° | 120.0° |
| C10 | C11 | C16 | H12 | 120.2° | 120.1° |
| C10 | C11 | C12 | C13 | 60.9° | 60.0° |
| C10 | C11 | C16 | C15 | 60.5° | 59.9° |
| C11 | C10 | C18 | C19 | 60.0° | 60.0° |
| C11 | C10 | C18 | C17 | 59.3° | 60.0° |
| C11 | C10 | N2 | H2 | 59.8° | 60.0° |
| C11 | C10 | N2 | H3 | 179.9° | 64.0° |
| C11 | C10 | C9 | H10 | 47.3° | 55.0° |
| C11 | C10 | C9 | H11 | 70.3° | 175.0° |
| C10 | C11 | C12 | H13 | 179.1° | 179.9° |
| C10 | C11 | C12 | H14 | 59.2° | 60.0° |
| C10 | C11 | C16 | H19 | 59.5° | 60.0° |
| C10 | C11 | C16 | H20 | 179.5° | 180.0° |
| C11 | C10 | C18 | H23 | 179.8° | 180.0° |
| C12 | C11 | C16 | H12 | 119.5° | 120.0° |
| C12 | C11 | C10 | C18 | 60.2° | 60.0° |
| C11 | C12 | C13 | H13 | 120.1° | 120.0° |
| C11 | C12 | C13 | H14 | 120.1° | 120.0° |
| C12 | C11 | C16 | C15 | 59.9° | 60.0° |
| C11 | C12 | C13 | C19 | 59.7° | 60.0° |
| C11 | C12 | C13 | C14 | 60.3° | 60.0° |
| C11 | C12 | H13 | H14 | 119.8° | 120.0° |
| C11 | C12 | C13 | H15 | 179.7° | 180.0° |
| C12 | C11 | C16 | H19 | 179.9° | 180.0° |
| C12 | C11 | C16 | H20 | 60.2° | 60.0° |
| C16 | C11 | C10 | C18 | 59.5° | 60.0° |
| C16 | C11 | C12 | C13 | 59.8° | 60.0° |
| C11 | C16 | C15 | H19 | 120.0° | 119.9° |
| C11 | C16 | C15 | H20 | 120.0° | 120.0° |
| C11 | C16 | C15 | C17 | 59.6° | 60.0° |
| C11 | C16 | C15 | C14 | 60.5° | 60.1° |
| C16 | C11 | C12 | H13 | 60.3° | 60.0° |
| C16 | C11 | C12 | H14 | 179.9° | 180.0° |
| C11 | C16 | C15 | H18 | 179.6° | 180.0° |
| C11 | C16 | H19 | H20 | 119.8° | 120.0° |
| C10 | C18 | C19 | C17 | 120.3° | 120.0° |
| C10 | C18 | C19 | H23 | 120.2° | 120.0° |
| C10 | C18 | C17 | H23 | 120.3° | 120.0° |
| C10 | C18 | C19 | C13 | 60.3° | 60.0° |
| C10 | C18 | C17 | C15 | 60.3° | 60.0° |
| C18 | C10 | N2 | H2 | 57.3° | 180.0° |
| C18 | C10 | N2 | H3 | 62.7° | 56.0° |
| C18 | C10 | C9 | H10 | 164.5° | 65.0° |
| C18 | C10 | C9 | H11 | 46.9° | 55.0° |
| C18 | C10 | C11 | H12 | 179.8° | 180.0° |
| C10 | C18 | C17 | H21 | 179.6° | 60.0° |
| C10 | C18 | C17 | H22 | 59.8° | 180.0° |
| C10 | C18 | C19 | H24 | 59.7° | 180.0° |
| C10 | C18 | C19 | H25 | 179.6° | 60.0° |
| O4 | C26 | N4 | C22 | 1.7° | 0.3° |
| O4 | C26 | N4 | C25 | 179.2° | 179.5° |
| O4 | C26 | N4 | C23 | 178.7° | 180.0° |
| O4 | C26 | C25 | C24 | 179.0° | 179.9° |
| O4 | C26 | C25 | H28 | 59.6° | 61.3° |
| O4 | C26 | C25 | H35 | 61.6° | 61.6° |
| C12 | C13 | C19 | C18 | 59.4° | 60.0° |
| C12 | C13 | C19 | C14 | 120.0° | 120.1° |
| C12 | C13 | C19 | H15 | 120.0° | 120.0° |
| C12 | C13 | C14 | H15 | 120.0° | 120.0° |
| C12 | C13 | C14 | C15 | 60.1° | 60.1° |
| C13 | C12 | C11 | H12 | 179.2° | 180.0° |
| C13 | C12 | H13 | H14 | 119.8° | 120.0° |
| C12 | C13 | C14 | H16 | 59.8° | 60.0° |
| C12 | C13 | C14 | H17 | 179.9° | 180.0° |
| C12 | C13 | C19 | H24 | 60.7° | 179.9° |
| C12 | C13 | C19 | H25 | 179.5° | 60.0° |
| C21 | N3 | C22 | N4 | 175.6° | 180.0° |
| C3 | C4 | C5 | C6 | 0.9° | 0.1° |
| C3 | C4 | C5 | H34 | 180.0° | 179.9° |
| C3 | C4 | C5 | H6 | 179.1° | 180.0° |
| C4 | C3 | C2 | H33 | 179.0° | 180.0° |
| N3 | C22 | N4 | C26 | 128.7° | 13.1° |
| N3 | C22 | N4 | C23 | 51.8° | 167.3° |
| C22 | N3 | C21 | H26 | 179.9° | 180.0° |
| N3 | C22 | C27 | H29 | 178.2° | 179.9° |
| C22 | N4 | C26 | C23 | 179.6° | 179.7° |
| C22 | N4 | C26 | C25 | 179.1° | 179.8° |
| C22 | N4 | C23 | C24 | 179.0° | 180.0° |
| C22 | N4 | C23 | O3 | 1.6° | 0.0° |
| N4 | C22 | C27 | H29 | 4.5° | 0.1° |
| C6 | C5 | C4 | H6 | 180.0° | 179.9° |
| C6 | C5 | C4 | H34 | 179.1° | 180.0° |
| C16 | C15 | C17 | C18 | 59.7° | 60.0° |
| C16 | C15 | C14 | C13 | 60.3° | 60.1° |
| C16 | C15 | C17 | C14 | 120.1° | 120.0° |
| C16 | C15 | C17 | H18 | 120.0° | 120.0° |
| C16 | C15 | C14 | H18 | 119.9° | 119.9° |
| C15 | C16 | C11 | H12 | 179.3° | 180.0° |
| C16 | C15 | C14 | H16 | 59.7° | 59.9° |
| C16 | C15 | C14 | H17 | 179.7° | 180.0° |
| C15 | C16 | H19 | H20 | 119.9° | 120.1° |
| C16 | C15 | C17 | H21 | 179.7° | 60.0° |
| C16 | C15 | C17 | H22 | 60.4° | 180.0° |
| N4 | C26 | C25 | C24 | 0.2° | 0.4° |
| C26 | N4 | C23 | C24 | 0.6° | 0.3° |
| C26 | N4 | C23 | O3 | 178.8° | 179.7° |
| N4 | C26 | C25 | H28 | 119.6° | 118.2° |
| N4 | C26 | C25 | H35 | 119.2° | 118.9° |
| C25 | C26 | N4 | C23 | 0.5° | 0.4° |
| C26 | C25 | C24 | H28 | 119.4° | 118.7° |
| C26 | C25 | C24 | H35 | 119.4° | 118.5° |
| C26 | C25 | C24 | C23 | 0.1° | 0.2° |
| C26 | C25 | C24 | H27 | 119.5° | 118.7° |
| C26 | C25 | H28 | H35 | 121.8° | 122.9° |
| C26 | C25 | C24 | H4 | 119.3° | 118.3° |
| C19 | C18 | C17 | H23 | 119.5° | 120.0° |
| C18 | C19 | C13 | H24 | 120.1° | 120.1° |
| C18 | C19 | C13 | H25 | 120.1° | 120.0° |
| C18 | C19 | C13 | C14 | 60.5° | 60.1° |
| C19 | C18 | C17 | C15 | 59.9° | 60.0° |
| C18 | C19 | C13 | H15 | 179.5° | 180.0° |
| C19 | C18 | C17 | H21 | 60.2° | 180.0° |
| C19 | C18 | C17 | H22 | 180.0° | 60.0° |
| C18 | C19 | H24 | H25 | 119.8° | 120.0° |
| C17 | C18 | C19 | C13 | 60.0° | 60.0° |
| C18 | C17 | C15 | H21 | 120.1° | 120.1° |
| C18 | C17 | C15 | H22 | 120.1° | 120.0° |
| C18 | C17 | C15 | C14 | 60.4° | 60.0° |
| C18 | C17 | C15 | H18 | 179.7° | 180.0° |
| C18 | C17 | H21 | H22 | 119.8° | 120.0° |
| C17 | C18 | C19 | H24 | 180.0° | 60.0° |
| C17 | C18 | C19 | H25 | 60.1° | 180.0° |
| C19 | C13 | C14 | H15 | 120.0° | 119.9° |
| C19 | C13 | C14 | C15 | 59.9° | 60.0° |
| C19 | C13 | C12 | H13 | 179.8° | 180.0° |
| C19 | C13 | C12 | H14 | 60.3° | 60.0° |
| C19 | C13 | C14 | H16 | 179.9° | 180.0° |
| C19 | C13 | C14 | H17 | 60.1° | 59.9° |
| C13 | C19 | C18 | H23 | 179.5° | 179.9° |
| C13 | C19 | H24 | H25 | 119.8° | 120.0° |
| C13 | C14 | C15 | C17 | 59.8° | 60.0° |
| C13 | C14 | C15 | H16 | 119.9° | 120.0° |
| C13 | C14 | C15 | H17 | 120.0° | 119.9° |
| C14 | C13 | C12 | H13 | 59.8° | 59.9° |
| C14 | C13 | C12 | H14 | 179.6° | 180.0° |
| C13 | C14 | H16 | H17 | 120.1° | 120.0° |
| C13 | C14 | C15 | H18 | 179.8° | 180.0° |
| C14 | C13 | C19 | H24 | 179.4° | 60.0° |
| C14 | C13 | C19 | H25 | 59.5° | 180.0° |
| N4 | C23 | C24 | C25 | 0.4° | 0.0° |
| N4 | C23 | C24 | O3 | 179.4° | 179.9° |
| N4 | C23 | C24 | H27 | 119.8° | 118.5° |
| N4 | C23 | C24 | H4 | 119.0° | 118.7° |
| C5 | C4 | C3 | H5 | 179.7° | 179.9° |
| C4 | C5 | C6 | H7 | 179.7° | 179.9° |
| C25 | C24 | C23 | H27 | 119.4° | 118.6° |
| C25 | C24 | C23 | H4 | 119.4° | 118.6° |
| C25 | C24 | C23 | O3 | 179.0° | 180.0° |
| C25 | C24 | H27 | H4 | 121.8° | 123.1° |
| C24 | C25 | H28 | H35 | 121.8° | 122.8° |
| C17 | C15 | C14 | H18 | 120.0° | 120.0° |
| C17 | C15 | C14 | H16 | 179.8° | 180.0° |
| C17 | C15 | C14 | H17 | 60.1° | 59.9° |
| C17 | C15 | C16 | H19 | 60.4° | 59.9° |
| C17 | C15 | C16 | H20 | 179.6° | 180.0° |
| C15 | C17 | H21 | H22 | 119.8° | 120.0° |
| C15 | C17 | C18 | H23 | 179.4° | 180.0° |
| C15 | C14 | C13 | H15 | 179.9° | 179.9° |
| C15 | C14 | H16 | H17 | 120.1° | 120.0° |
| C14 | C15 | C16 | H19 | 179.4° | 180.0° |
| C14 | C15 | C16 | H20 | 59.5° | 59.9° |
| C14 | C15 | C17 | H21 | 59.7° | 180.0° |
| C14 | C15 | C17 | H22 | 179.5° | 60.0° |
| C23 | C24 | H27 | H4 | 121.8° | 122.8° |
| C23 | C24 | C25 | H28 | 119.2° | 118.6° |
| C23 | C24 | C25 | H35 | 119.5° | 118.7° |
| O3 | C23 | C24 | H27 | 59.6° | 61.4° |
| O3 | C23 | C24 | H4 | 61.6° | 61.4° |
| H1 | N1 | C9 | H10 | 161.9° | 120.0° |
| H1 | N1 | C9 | H11 | 44.3° | 119.9° |
| H5 | C3 | C2 | H33 | 1.0° | 0.3° |
| H5 | C3 | C4 | H34 | 0.3° | 0.1° |
| H6 | C5 | C6 | H7 | 0.3° | 0.0° |
| H6 | C5 | C4 | H34 | 0.9° | 0.1° |
| H8 | C7 | C | H32 | 45.2° | 175.1° |
| H9 | C7 | C | H32 | 162.2° | 65.0° |
| H12 | C11 | C12 | H13 | 59.2° | 60.0° |
| H12 | C11 | C12 | H14 | 60.7° | 60.0° |
| H12 | C11 | C16 | H19 | 60.7° | 60.1° |
| H12 | C11 | C16 | H20 | 59.3° | 60.0° |
| H13 | C12 | C13 | H15 | 60.2° | 60.0° |
| H14 | C12 | C13 | H15 | 59.7° | 60.0° |
| H15 | C13 | C14 | H16 | 60.1° | 60.0° |
| H15 | C13 | C14 | H17 | 59.9° | 60.0° |
| H15 | C13 | C19 | H24 | 59.4° | 59.9° |
| H15 | C13 | C19 | H25 | 60.5° | 60.1° |
| H16 | C14 | C15 | H18 | 60.3° | 60.0° |
| H17 | C14 | C15 | H18 | 59.8° | 60.1° |
| H18 | C15 | C16 | H19 | 59.5° | 60.1° |
| H18 | C15 | C16 | H20 | 60.4° | 60.0° |
| H18 | C15 | C17 | H21 | 60.3° | 60.0° |
| H18 | C15 | C17 | H22 | 59.6° | 60.0° |
| H21 | C17 | C18 | H23 | 59.3° | 60.0° |
| H22 | C17 | C18 | H23 | 60.5° | 60.0° |
| H23 | C18 | C19 | H24 | 60.4° | 60.0° |
| H23 | C18 | C19 | H25 | 59.4° | 60.0° |
| H27 | C24 | C25 | H28 | 0.2° | 0.0° |
| H27 | C24 | C25 | H35 | 121.1° | 122.8° |
| H28 | C25 | C24 | H4 | 121.3° | 123.0° |
| H29 | C27 | C28 | H30 | 0.0° | 0.0° |
| H31 | N | C | H32 | 131.0° | 155.0° |
| H4 | C24 | C25 | H35 | 0.1° | 0.2° |
