85S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | N14 | doub | 1.31Å | 1.33Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| N14 | N13 | sing | 1.40Å | 1.37Å | Aromatic |
| C16 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.53Å | 1.51Å | |
| C22 | C17 | sing | 1.53Å | 1.53Å | |
| N13 | C11 | sing | 1.36Å | 1.37Å | Aromatic |
| N13 | C17 | sing | 1.46Å | 1.48Å | |
| C11 | C9 | sing | 1.48Å | 1.47Å | |
| C21 | O20 | sing | 1.43Å | 1.44Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| O20 | C19 | sing | 1.43Å | 1.43Å | |
| C9 | C8 | sing | 1.40Å | 1.43Å | Aromatic |
| C9 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| N10 | C6 | sing | 1.38Å | 1.33Å | |
| C5 | C6 | sing | 1.41Å | 1.43Å | Aromatic |
| C5 | N4 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C12 | sing | 1.48Å | 1.49Å | |
| C7 | N4 | sing | 1.36Å | 1.40Å | Aromatic |
| C6 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| C12 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| N4 | N3 | sing | 1.40Å | 1.37Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| N1 | C2 | sing | 1.33Å | 1.35Å | Aromatic |
| N3 | C2 | doub | 1.31Å | 1.30Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C26 | N28 | sing | 1.40Å | 1.40Å | |
| N28 | C29 | sing | 1.47Å | 1.47Å | |
| N28 | C33 | sing | 1.47Å | 1.47Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C33 | C32 | sing | 1.53Å | 1.52Å | |
| C30 | N31 | sing | 1.47Å | 1.47Å | |
| C32 | N31 | sing | 1.47Å | 1.47Å | |
| N31 | C34 | sing | 1.35Å | 1.37Å | |
| C34 | O36 | doub | 1.21Å | 1.22Å | |
| C34 | C35 | sing | 1.51Å | 1.50Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| N10 | H4 | sing | 0.97Å | 1.00Å | |
| N10 | H5 | sing | 0.97Å | 1.00Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C24 | H17 | sing | 1.08Å | 1.08Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| C27 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C32 | H25 | sing | 1.09Å | 1.10Å | |
| C33 | H26 | sing | 1.09Å | 1.10Å | |
| C33 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.09Å | 1.10Å | |
| C35 | H29 | sing | 1.09Å | 1.10Å | |
| C35 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N14 | C15 | C16 | 113.0° | 108.7° |
| C15 | N14 | N13 | 103.7° | 108.7° |
| N14 | C15 | H2 | 123.5° | 125.7° |
| C15 | C16 | C11 | 105.1° | 107.7° |
| C16 | C15 | H2 | 123.5° | 125.6° |
| C15 | C16 | H6 | 127.4° | 126.2° |
| N14 | N13 | C11 | 112.2° | 107.8° |
| N14 | N13 | C17 | 122.1° | 126.1° |
| C16 | C11 | N13 | 105.9° | 107.1° |
| C16 | C11 | C9 | 127.2° | 126.4° |
| C11 | C16 | H6 | 127.4° | 126.2° |
| C21 | C22 | C17 | 108.5° | 109.2° |
| C22 | C21 | O20 | 111.4° | 109.4° |
| C22 | C21 | H12 | 109.0° | 109.5° |
| C22 | C21 | H13 | 109.0° | 109.5° |
| C21 | C22 | H14 | 109.7° | 109.5° |
| C21 | C22 | H15 | 109.7° | 109.5° |
| C22 | C17 | N13 | 110.7° | 109.6° |
| C22 | C17 | C18 | 111.5° | 109.0° |
| C22 | C17 | H7 | 107.8° | 109.6° |
| C17 | C22 | H14 | 109.7° | 109.5° |
| C17 | C22 | H15 | 109.7° | 109.5° |
| C11 | N13 | C17 | 125.7° | 126.1° |
| N13 | C11 | C9 | 126.9° | 126.5° |
| N13 | C17 | C18 | 110.5° | 109.5° |
| N13 | C17 | H7 | 108.5° | 109.5° |
| C11 | C9 | C8 | 125.0° | 126.5° |
| C11 | C9 | C5 | 127.7° | 126.6° |
| C21 | O20 | C19 | 111.0° | 114.1° |
| O20 | C21 | H12 | 109.0° | 109.5° |
| O20 | C21 | H13 | 109.0° | 109.4° |
| C17 | C18 | C19 | 110.8° | 109.1° |
| C18 | C17 | H7 | 107.8° | 109.5° |
| C17 | C18 | H8 | 109.1° | 109.5° |
| C17 | C18 | H9 | 109.1° | 109.5° |
| O20 | C19 | C18 | 111.3° | 109.4° |
| O20 | C19 | H10 | 109.0° | 109.4° |
| O20 | C19 | H11 | 109.0° | 109.5° |
| C8 | C9 | C5 | 107.3° | 106.9° |
| C9 | C8 | C7 | 108.9° | 107.6° |
| C9 | C8 | H1 | 125.5° | 126.2° |
| C9 | C5 | C6 | 137.5° | 133.5° |
| C9 | C5 | N4 | 107.2° | 107.9° |
| C8 | C7 | C12 | 128.6° | 125.6° |
| C8 | C7 | N4 | 105.8° | 108.9° |
| C7 | C8 | H1 | 125.5° | 126.2° |
| C19 | C18 | H8 | 109.1° | 109.5° |
| C19 | C18 | H9 | 109.1° | 109.5° |
| C18 | C19 | H10 | 109.0° | 109.5° |
| C18 | C19 | H11 | 109.0° | 109.5° |
| C24 | C23 | C12 | 120.4° | 120.0° |
| C23 | C24 | C25 | 120.5° | 120.2° |
| C24 | C23 | H16 | 119.8° | 120.0° |
| C23 | C24 | H17 | 119.8° | 119.9° |
| C23 | C12 | C7 | 121.1° | 120.1° |
| C23 | C12 | C27 | 119.3° | 119.7° |
| C12 | C23 | H16 | 119.8° | 120.0° |
| N10 | C6 | C5 | 122.0° | 120.4° |
| N10 | C6 | N1 | 118.8° | 120.3° |
| C6 | N10 | H4 | 109.5° | 120.0° |
| C6 | N10 | H5 | 109.5° | 120.0° |
| C6 | C5 | N4 | 115.3° | 118.5° |
| C5 | C6 | N1 | 119.2° | 119.3° |
| C5 | N4 | C7 | 110.8° | 108.7° |
| C5 | N4 | N3 | 126.1° | 118.4° |
| C24 | C25 | C26 | 120.1° | 120.2° |
| C25 | C24 | H17 | 119.8° | 119.9° |
| C24 | C25 | H18 | 120.0° | 119.9° |
| C12 | C7 | N4 | 125.6° | 125.6° |
| C7 | C12 | C27 | 119.6° | 120.2° |
| C7 | N4 | N3 | 123.1° | 132.9° |
| C6 | N1 | C2 | 118.1° | 121.5° |
| C12 | C27 | C26 | 120.6° | 119.8° |
| C12 | C27 | H19 | 119.7° | 120.1° |
| N4 | N3 | C2 | 112.0° | 120.0° |
| C25 | C26 | C27 | 119.2° | 120.0° |
| C25 | C26 | N28 | 120.3° | 120.0° |
| C26 | C25 | H18 | 120.0° | 119.9° |
| N1 | C2 | N3 | 129.4° | 122.2° |
| N1 | C2 | H3 | 115.3° | 118.8° |
| N3 | C2 | H3 | 115.3° | 118.9° |
| C27 | C26 | N28 | 120.5° | 120.0° |
| C26 | C27 | H19 | 119.7° | 120.1° |
| C26 | N28 | C29 | 116.4° | 111.0° |
| C26 | N28 | C33 | 117.4° | 111.0° |
| C29 | N28 | C33 | 112.4° | 111.3° |
| N28 | C29 | C30 | 110.6° | 109.4° |
| N28 | C29 | H20 | 109.2° | 109.5° |
| N28 | C29 | H21 | 109.2° | 109.5° |
| N28 | C33 | C32 | 110.7° | 109.3° |
| N28 | C33 | H26 | 109.2° | 109.5° |
| N28 | C33 | H27 | 109.2° | 109.4° |
| C29 | C30 | N31 | 110.0° | 108.5° |
| C30 | C29 | H20 | 109.2° | 109.5° |
| C30 | C29 | H21 | 109.2° | 109.5° |
| C29 | C30 | H22 | 109.3° | 109.6° |
| C29 | C30 | H23 | 109.3° | 109.6° |
| C33 | C32 | N31 | 110.1° | 108.6° |
| C33 | C32 | H24 | 109.3° | 109.6° |
| C33 | C32 | H25 | 109.3° | 109.8° |
| C32 | C33 | H26 | 109.1° | 109.6° |
| C32 | C33 | H27 | 109.1° | 109.5° |
| C30 | N31 | C32 | 111.1° | 118.2° |
| C30 | N31 | C34 | 124.9° | 120.9° |
| N31 | C30 | H22 | 109.3° | 109.6° |
| N31 | C30 | H23 | 109.4° | 109.6° |
| C32 | N31 | C34 | 124.0° | 120.9° |
| N31 | C32 | H24 | 109.3° | 109.7° |
| N31 | C32 | H25 | 109.3° | 109.7° |
| N31 | C34 | O36 | 121.0° | 120.0° |
| N31 | C34 | C35 | 118.3° | 120.0° |
| O36 | C34 | C35 | 120.7° | 120.0° |
| C34 | C35 | H28 | 109.5° | 109.5° |
| C34 | C35 | H29 | 109.5° | 109.5° |
| C34 | C35 | H30 | 109.5° | 109.5° |
| H4 | N10 | H5 | 109.5° | 120.0° |
| H8 | C18 | H9 | 109.5° | 109.6° |
| H10 | C19 | H11 | 109.4° | 109.5° |
| H12 | C21 | H13 | 109.4° | 109.5° |
| H14 | C22 | H15 | 109.5° | 109.6° |
| H20 | C29 | H21 | 109.5° | 109.5° |
| H22 | C30 | H23 | 109.5° | 109.8° |
| H24 | C32 | H25 | 109.5° | 109.6° |
| H26 | C33 | H27 | 109.5° | 109.6° |
| H28 | C35 | H29 | 109.5° | 109.5° |
| H28 | C35 | H30 | 109.5° | 109.5° |
| H29 | C35 | H30 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N14 | C15 | C16 | H2 | 180.0° | 179.8° |
| N14 | C15 | C16 | C11 | 0.0° | 0.4° |
| C15 | N14 | N13 | C11 | 0.0° | 0.0° |
| C15 | N14 | N13 | C17 | 179.9° | 180.0° |
| N14 | C15 | C16 | H6 | 180.0° | 180.0° |
| C16 | C15 | N14 | N13 | 0.0° | 0.2° |
| C15 | C16 | C11 | H6 | 180.0° | 179.6° |
| C15 | C16 | C11 | N13 | 0.0° | 0.4° |
| C15 | C16 | C11 | C9 | 180.0° | 179.9° |
| N14 | N13 | C11 | C16 | 0.0° | 0.3° |
| N14 | N13 | C17 | C22 | 64.2° | 54.3° |
| N14 | N13 | C11 | C17 | 179.9° | 180.0° |
| N14 | N13 | C11 | C9 | 180.0° | 180.0° |
| N14 | N13 | C17 | C18 | 59.8° | 65.3° |
| N13 | N14 | C15 | H2 | 180.0° | 180.0° |
| N14 | N13 | C17 | H7 | 177.7° | 174.6° |
| C16 | C11 | N13 | C9 | 180.0° | 179.7° |
| C16 | C11 | N13 | C17 | 179.9° | 179.8° |
| C16 | C11 | C9 | C8 | 129.2° | 124.8° |
| C16 | C11 | C9 | C5 | 50.9° | 55.3° |
| C11 | C16 | C15 | H2 | 180.0° | 179.8° |
| C21 | C22 | C17 | H14 | 119.8° | 119.9° |
| C21 | C22 | C17 | H15 | 119.8° | 119.9° |
| C21 | C22 | C17 | N13 | 175.5° | 176.8° |
| C22 | C21 | O20 | H12 | 120.3° | 120.0° |
| C22 | C21 | O20 | H13 | 120.3° | 119.9° |
| C21 | C22 | C17 | C18 | 52.2° | 56.9° |
| C22 | C21 | O20 | C19 | 63.4° | 61.1° |
| C21 | C22 | C17 | H7 | 66.0° | 62.9° |
| C22 | C21 | H12 | H13 | 119.1° | 120.0° |
| C21 | C22 | H14 | H15 | 120.4° | 120.1° |
| C22 | C17 | N13 | C11 | 115.9° | 125.7° |
| C22 | C17 | N13 | C18 | 124.0° | 119.6° |
| C22 | C17 | N13 | H7 | 118.1° | 120.3° |
| C17 | C22 | C21 | O20 | 58.2° | 57.6° |
| C22 | C17 | C18 | H7 | 118.1° | 119.9° |
| C22 | C17 | C18 | C19 | 50.8° | 57.0° |
| C22 | C17 | C18 | H8 | 69.4° | 62.9° |
| C22 | C17 | C18 | H9 | 171.0° | 176.8° |
| C17 | C22 | C21 | H12 | 62.1° | 177.6° |
| C17 | C22 | C21 | H13 | 178.5° | 62.4° |
| C17 | C22 | H14 | H15 | 120.5° | 120.1° |
| C11 | N13 | C17 | C18 | 120.1° | 114.7° |
| N13 | C11 | C9 | C8 | 50.8° | 55.6° |
| N13 | C11 | C9 | C5 | 129.1° | 124.3° |
| N13 | C11 | C16 | H6 | 180.0° | 180.0° |
| C11 | N13 | C17 | H7 | 2.2° | 5.5° |
| C17 | N13 | C11 | C9 | 0.1° | 0.1° |
| N13 | C17 | C18 | H7 | 118.4° | 120.2° |
| N13 | C17 | C18 | C19 | 174.3° | 176.9° |
| N13 | C17 | C18 | H8 | 54.1° | 57.0° |
| N13 | C17 | C18 | H9 | 65.5° | 63.2° |
| N13 | C17 | C22 | H14 | 55.7° | 63.2° |
| N13 | C17 | C22 | H15 | 64.6° | 57.0° |
| C11 | C9 | C8 | C5 | 179.9° | 179.9° |
| C11 | C9 | C8 | C7 | 180.0° | 179.8° |
| C11 | C9 | C5 | C6 | 0.0° | 0.0° |
| C11 | C9 | C5 | N4 | 180.0° | 179.8° |
| C11 | C9 | C8 | H1 | 0.0° | 0.0° |
| C9 | C11 | C16 | H6 | 0.0° | 0.3° |
| C21 | O20 | C19 | C18 | 60.5° | 61.2° |
| C21 | O20 | C19 | H10 | 59.8° | 178.9° |
| C21 | O20 | C19 | H11 | 179.3° | 58.9° |
| O20 | C21 | H12 | H13 | 119.1° | 120.0° |
| O20 | C21 | C22 | H14 | 61.7° | 177.5° |
| O20 | C21 | C22 | H15 | 178.0° | 62.3° |
| C17 | C18 | C19 | O20 | 54.2° | 57.6° |
| C17 | C18 | C19 | H8 | 120.2° | 119.9° |
| C17 | C18 | C19 | H9 | 120.2° | 119.9° |
| C17 | C18 | H8 | H9 | 119.4° | 120.2° |
| C17 | C18 | C19 | H10 | 66.1° | 177.6° |
| C17 | C18 | C19 | H11 | 174.5° | 62.4° |
| C18 | C17 | C22 | H14 | 67.7° | 176.9° |
| C18 | C17 | C22 | H15 | 172.0° | 62.9° |
| O20 | C19 | C18 | H10 | 120.3° | 119.9° |
| O20 | C19 | C18 | H11 | 120.3° | 120.0° |
| O20 | C19 | C18 | H8 | 66.0° | 62.3° |
| O20 | C19 | C18 | H9 | 174.4° | 177.5° |
| O20 | C19 | H10 | H11 | 119.2° | 120.0° |
| C19 | O20 | C21 | H12 | 56.9° | 178.9° |
| C19 | O20 | C21 | H13 | 176.3° | 58.9° |
| C9 | C8 | C7 | H1 | 180.0° | 179.8° |
| C8 | C9 | C5 | C6 | 179.9° | 180.0° |
| C8 | C9 | C5 | N4 | 0.1° | 0.3° |
| C9 | C8 | C7 | C12 | 180.0° | 179.8° |
| C9 | C8 | C7 | N4 | 0.0° | 0.1° |
| C5 | C9 | C8 | C7 | 0.1° | 0.2° |
| C9 | C5 | C6 | N10 | 0.0° | 0.3° |
| C9 | C5 | C6 | N4 | 180.0° | 179.7° |
| C9 | C5 | N4 | C7 | 0.0° | 0.2° |
| C9 | C5 | C6 | N1 | 180.0° | 179.7° |
| C9 | C5 | N4 | N3 | 180.0° | 179.8° |
| C5 | C9 | C8 | H1 | 179.9° | 180.0° |
| C8 | C7 | C12 | C23 | 45.8° | 174.9° |
| C8 | C7 | N4 | C5 | 0.0° | 0.1° |
| C8 | C7 | C12 | N4 | 179.9° | 179.9° |
| C8 | C7 | C12 | C27 | 134.1° | 5.0° |
| C8 | C7 | N4 | N3 | 180.0° | 179.9° |
| C19 | C18 | C17 | H7 | 67.3° | 63.0° |
| C19 | C18 | H8 | H9 | 119.4° | 120.2° |
| C18 | C19 | H10 | H11 | 119.1° | 120.1° |
| C24 | C23 | C12 | H16 | 180.0° | 180.0° |
| C23 | C24 | C25 | H17 | 180.0° | 179.9° |
| C24 | C23 | C12 | C7 | 179.9° | 179.9° |
| C24 | C23 | C12 | C27 | 0.0° | 0.2° |
| C23 | C24 | C25 | C26 | 0.0° | 0.1° |
| C23 | C24 | C25 | H18 | 179.9° | 180.0° |
| C12 | C23 | C24 | C25 | 0.0° | 0.0° |
| C23 | C12 | C7 | C27 | 179.9° | 179.8° |
| C23 | C12 | C7 | N4 | 134.3° | 5.2° |
| C23 | C12 | C27 | C26 | 0.0° | 0.5° |
| C12 | C23 | C24 | H17 | 179.9° | 179.9° |
| C23 | C12 | C27 | H19 | 180.0° | 179.7° |
| N10 | C6 | C5 | N1 | 179.9° | 180.0° |
| N10 | C6 | C5 | N4 | 179.9° | 180.0° |
| N10 | C6 | N1 | C2 | 180.0° | 180.0° |
| C6 | N10 | H4 | H5 | 120.0° | 179.9° |
| C6 | C5 | N4 | C7 | 180.0° | 180.0° |
| C6 | C5 | N4 | N3 | 0.0° | 0.0° |
| C5 | C6 | N1 | C2 | 0.0° | 0.0° |
| C5 | C6 | N10 | H4 | 180.0° | 8.6° |
| C5 | C6 | N10 | H5 | 60.0° | 171.3° |
| C5 | N4 | C7 | C12 | 179.9° | 180.0° |
| C5 | N4 | C7 | N3 | 180.0° | 180.0° |
| N4 | C5 | C6 | N1 | 0.0° | 0.0° |
| C5 | N4 | N3 | C2 | 0.0° | 0.0° |
| C24 | C25 | C26 | H18 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.1° | 0.3° |
| C24 | C25 | C26 | N28 | 180.0° | 179.9° |
| C25 | C24 | C23 | H16 | 180.0° | 180.0° |
| C12 | C7 | N4 | N3 | 0.1° | 0.1° |
| C7 | C12 | C27 | C26 | 179.9° | 179.7° |
| C12 | C7 | C8 | H1 | 0.0° | 0.0° |
| C7 | C12 | C23 | H16 | 0.1° | 0.0° |
| C7 | C12 | C27 | H19 | 0.1° | 0.1° |
| N4 | C7 | C12 | C27 | 45.8° | 175.0° |
| C7 | N4 | N3 | C2 | 180.0° | 180.0° |
| N4 | C7 | C8 | H1 | 179.9° | 179.9° |
| C6 | N1 | C2 | N3 | 0.0° | 0.0° |
| C6 | N1 | C2 | H3 | 180.0° | 180.0° |
| N1 | C6 | N10 | H4 | 0.0° | 171.4° |
| N1 | C6 | N10 | H5 | 120.0° | 8.7° |
| C12 | C27 | C26 | C25 | 0.1° | 0.5° |
| C12 | C27 | C26 | H19 | 180.0° | 179.8° |
| C12 | C27 | C26 | N28 | 180.0° | 179.7° |
| C27 | C12 | C23 | H16 | 180.0° | 179.8° |
| N4 | N3 | C2 | N1 | 0.0° | 0.0° |
| N4 | N3 | C2 | H3 | 180.0° | 180.0° |
| C25 | C26 | C27 | N28 | 179.9° | 179.8° |
| C25 | C26 | N28 | C29 | 100.4° | 0.1° |
| C25 | C26 | N28 | C33 | 122.2° | 124.3° |
| C26 | C25 | C24 | H17 | 180.0° | 180.0° |
| C25 | C26 | C27 | H19 | 179.9° | 179.7° |
| N1 | C2 | N3 | H3 | 180.0° | 180.0° |
| C27 | C26 | N28 | C29 | 79.5° | 179.7° |
| C27 | C26 | N28 | C33 | 57.9° | 55.9° |
| C27 | C26 | C25 | H18 | 179.9° | 179.8° |
| C26 | N28 | C29 | C33 | 139.4° | 124.2° |
| C26 | N28 | C29 | C30 | 165.0° | 172.7° |
| C26 | N28 | C33 | C32 | 165.9° | 172.7° |
| N28 | C26 | C25 | H18 | 0.0° | 0.0° |
| N28 | C26 | C27 | H19 | 0.0° | 0.1° |
| C26 | N28 | C29 | H20 | 74.9° | 67.3° |
| C26 | N28 | C29 | H21 | 44.8° | 52.7° |
| C26 | N28 | C33 | H26 | 45.8° | 52.7° |
| C26 | N28 | C33 | H27 | 73.9° | 67.4° |
| N28 | C29 | C30 | H20 | 120.1° | 119.9° |
| N28 | C29 | C30 | H21 | 120.1° | 120.0° |
| C29 | N28 | C33 | C32 | 55.1° | 63.1° |
| N28 | C29 | C30 | N31 | 56.5° | 53.8° |
| N28 | C29 | H20 | H21 | 119.5° | 120.1° |
| N28 | C29 | C30 | H22 | 176.6° | 173.5° |
| N28 | C29 | C30 | H23 | 63.6° | 65.9° |
| C29 | N28 | C33 | H26 | 175.2° | 176.9° |
| C29 | N28 | C33 | H27 | 65.1° | 56.8° |
| C33 | N28 | C29 | C30 | 55.6° | 63.1° |
| N28 | C33 | C32 | H26 | 120.2° | 120.0° |
| N28 | C33 | C32 | H27 | 120.2° | 119.9° |
| N28 | C33 | C32 | N31 | 55.5° | 53.8° |
| C33 | N28 | C29 | H20 | 64.6° | 56.9° |
| C33 | N28 | C29 | H21 | 175.7° | 177.0° |
| N28 | C33 | C32 | H24 | 64.6° | 173.6° |
| N28 | C33 | C32 | H25 | 175.6° | 66.1° |
| N28 | C33 | H26 | H27 | 119.5° | 120.0° |
| C29 | C30 | N31 | H22 | 120.1° | 119.7° |
| C29 | C30 | N31 | H23 | 120.1° | 119.7° |
| C29 | C30 | N31 | C32 | 58.5° | 51.2° |
| C29 | C30 | N31 | C34 | 121.5° | 128.8° |
| C30 | C29 | H20 | H21 | 119.5° | 120.1° |
| C29 | C30 | H22 | H23 | 119.7° | 120.5° |
| C33 | C32 | N31 | C30 | 58.0° | 51.2° |
| C33 | C32 | N31 | H24 | 120.1° | 119.7° |
| C33 | C32 | N31 | H25 | 120.1° | 120.0° |
| C33 | C32 | N31 | C34 | 122.0° | 128.8° |
| C33 | C32 | H24 | H25 | 119.7° | 120.5° |
| C32 | C33 | H26 | H27 | 119.4° | 120.1° |
| C30 | N31 | C32 | C34 | 180.0° | 180.0° |
| C30 | N31 | C34 | O36 | 180.0° | 0.0° |
| C30 | N31 | C34 | C35 | 0.0° | 180.0° |
| N31 | C30 | C29 | H20 | 63.6° | 66.2° |
| N31 | C30 | C29 | H21 | 176.6° | 173.8° |
| N31 | C30 | H22 | H23 | 119.8° | 120.5° |
| C30 | N31 | C32 | H24 | 62.1° | 170.9° |
| C30 | N31 | C32 | H25 | 178.1° | 68.7° |
| C32 | N31 | C34 | O36 | 0.0° | 180.0° |
| C32 | N31 | C34 | C35 | 180.0° | 0.0° |
| C32 | N31 | C30 | H22 | 178.6° | 170.9° |
| C32 | N31 | C30 | H23 | 61.6° | 68.5° |
| N31 | C32 | H24 | H25 | 119.7° | 120.4° |
| N31 | C32 | C33 | H26 | 175.7° | 173.8° |
| N31 | C32 | C33 | H27 | 64.7° | 66.0° |
| N31 | C34 | O36 | C35 | 180.0° | 180.0° |
| C34 | N31 | C30 | H22 | 1.4° | 9.1° |
| C34 | N31 | C30 | H23 | 118.4° | 111.5° |
| C34 | N31 | C32 | H24 | 117.9° | 9.1° |
| C34 | N31 | C32 | H25 | 1.9° | 111.3° |
| N31 | C34 | C35 | H28 | 180.0° | 90.0° |
| N31 | C34 | C35 | H29 | 59.9° | 150.0° |
| N31 | C34 | C35 | H30 | 60.0° | 30.1° |
| O36 | C34 | C35 | H28 | 0.0° | 90.0° |
| O36 | C34 | C35 | H29 | 120.0° | 30.0° |
| O36 | C34 | C35 | H30 | 120.0° | 150.0° |
| C34 | C35 | H28 | H29 | 120.0° | 120.0° |
| C34 | C35 | H28 | H30 | 120.0° | 120.0° |
| C34 | C35 | H29 | H30 | 120.0° | 120.0° |
| H2 | C15 | C16 | H6 | 0.0° | 0.2° |
| H7 | C17 | C18 | H8 | 172.5° | 177.1° |
| H7 | C17 | C18 | H9 | 52.9° | 56.9° |
| H7 | C17 | C22 | H14 | 174.2° | 57.0° |
| H7 | C17 | C22 | H15 | 53.9° | 177.2° |
| H8 | C18 | C19 | H10 | 173.7° | 57.7° |
| H8 | C18 | C19 | H11 | 54.3° | 177.7° |
| H9 | C18 | C19 | H10 | 54.1° | 62.5° |
| H9 | C18 | C19 | H11 | 65.3° | 57.5° |
| H12 | C21 | C22 | H14 | 178.0° | 62.4° |
| H12 | C21 | C22 | H15 | 57.7° | 57.7° |
| H13 | C21 | C22 | H14 | 58.6° | 57.6° |
| H13 | C21 | C22 | H15 | 61.7° | 177.8° |
| H16 | C23 | C24 | H17 | 0.1° | 0.1° |
| H17 | C24 | C25 | H18 | 0.0° | 0.1° |
| H20 | C29 | C30 | H22 | 56.4° | 53.6° |
| H20 | C29 | C30 | H23 | 176.2° | 174.2° |
| H21 | C29 | C30 | H22 | 63.3° | 66.5° |
| H21 | C29 | C30 | H23 | 56.5° | 54.1° |
| H24 | C32 | C33 | H26 | 55.6° | 66.5° |
| H24 | C32 | C33 | H27 | 175.2° | 53.7° |
| H25 | C32 | C33 | H26 | 64.2° | 53.9° |
| H25 | C32 | C33 | H27 | 55.4° | 174.1° |
| H28 | C35 | H29 | H30 | 120.0° | 120.0° |
