JN8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C1 | doub | 1.34Å | 1.40Å | Aromatic |
| C9 | C1 | sing | 1.52Å | 1.51Å | |
| C1 | C2 | sing | 1.45Å | 1.53Å | Aromatic |
| C3 | C2 | doub | 1.37Å | 1.47Å | Aromatic |
| C2 | C19 | sing | 1.46Å | 1.51Å | |
| S4 | C3 | sing | 1.70Å | 1.72Å | Aromatic |
| C3 | N10 | sing | 1.39Å | 1.44Å | |
| C5 | S4 | sing | 1.75Å | 1.74Å | Aromatic |
| C6 | C5 | sing | 1.52Å | 1.49Å | |
| N7 | C6 | sing | 1.47Å | 1.43Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C24 | N7 | sing | 1.35Å | 1.47Å | |
| N7 | C8 | sing | 1.47Å | 1.44Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C11 | N10 | sing | 1.35Å | 1.44Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| O18 | C11 | doub | 1.21Å | 1.22Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | C14 | doub | 1.33Å | 1.41Å | Aromatic |
| C13 | S17 | sing | 1.76Å | 1.75Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | doub | 1.33Å | 1.42Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| S17 | C16 | sing | 1.76Å | 1.71Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | O20 | sing | 1.35Å | 1.28Å | |
| C19 | O31 | doub | 1.22Å | 1.27Å | |
| O20 | C27 | sing | 1.45Å | 1.41Å | |
| O29 | C24 | doub | 1.22Å | 1.23Å | |
| C24 | N28 | sing | 1.35Å | 1.46Å | |
| C31 | C27 | sing | 1.55Å | 1.49Å | |
| C27 | C28 | sing | 1.54Å | 1.48Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | C28 | sing | 1.54Å | 1.50Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C33 | N28 | sing | 1.46Å | 1.46Å | |
| N28 | HN28 | sing | 0.97Å | 1.00Å | |
| C30 | C29 | sing | 1.54Å | 1.51Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.55Å | 1.50Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C33 | C32 | sing | 1.53Å | 1.50Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C1 | C9 | 118.6° | 123.9° |
| C5 | C1 | C2 | 109.8° | 112.2° |
| C1 | C5 | S4 | 113.3° | 111.0° |
| C1 | C5 | C6 | 125.7° | 124.0° |
| C9 | C1 | C2 | 131.6° | 123.9° |
| C1 | C9 | C8 | 110.6° | 109.1° |
| C1 | C9 | H9 | 109.1° | 109.5° |
| C1 | C9 | H9A | 109.1° | 109.5° |
| C1 | C2 | C3 | 111.8° | 113.4° |
| C1 | C2 | C19 | 122.7° | 123.3° |
| C3 | C2 | C19 | 125.5° | 123.3° |
| C2 | C3 | S4 | 109.9° | 110.7° |
| C2 | C3 | N10 | 125.1° | 124.7° |
| C2 | C19 | O20 | 116.1° | 120.0° |
| C2 | C19 | O31 | 120.5° | 120.0° |
| S4 | C3 | N10 | 124.9° | 124.7° |
| C3 | S4 | C5 | 95.1° | 92.7° |
| C3 | N10 | C11 | 122.5° | 120.0° |
| C3 | N10 | HN10 | 118.7° | 120.0° |
| S4 | C5 | C6 | 120.9° | 125.0° |
| C5 | C6 | N7 | 108.4° | 107.7° |
| C5 | C6 | H6 | 109.8° | 109.8° |
| C5 | C6 | H6A | 109.8° | 109.8° |
| N7 | C6 | H6 | 109.8° | 109.8° |
| N7 | C6 | H6A | 109.8° | 109.9° |
| C6 | N7 | C24 | 121.4° | 121.0° |
| C6 | N7 | C8 | 114.9° | 118.0° |
| H6 | C6 | H6A | 109.1° | 109.8° |
| C24 | N7 | C8 | 118.4° | 121.0° |
| N7 | C24 | O29 | 121.3° | 120.0° |
| N7 | C24 | N28 | 119.4° | 120.0° |
| N7 | C8 | C9 | 111.7° | 108.8° |
| N7 | C8 | H8 | 108.7° | 109.6° |
| N7 | C8 | H8A | 108.7° | 109.6° |
| C9 | C8 | H8 | 108.8° | 109.6° |
| C9 | C8 | H8A | 108.7° | 109.6° |
| C8 | C9 | H9 | 109.1° | 109.5° |
| C8 | C9 | H9A | 109.1° | 109.5° |
| H8 | C8 | H8A | 110.2° | 109.7° |
| H9 | C9 | H9A | 109.8° | 109.6° |
| C11 | N10 | HN10 | 118.8° | 120.0° |
| N10 | C11 | O18 | 120.4° | 120.0° |
| N10 | C11 | C12 | 118.8° | 120.0° |
| O18 | C11 | C12 | 120.8° | 120.0° |
| C11 | C12 | C13 | 107.7° | 109.5° |
| C11 | C12 | H12 | 110.1° | 109.4° |
| C11 | C12 | H12A | 110.1° | 109.5° |
| C13 | C12 | H12 | 110.0° | 109.5° |
| C13 | C12 | H12A | 110.1° | 109.5° |
| C12 | C13 | C14 | 124.5° | 125.2° |
| C12 | C13 | S17 | 125.0° | 125.2° |
| H12 | C12 | H12A | 108.9° | 109.5° |
| C14 | C13 | S17 | 110.5° | 109.6° |
| C13 | C14 | C15 | 112.4° | 114.9° |
| C13 | C14 | H14 | 123.8° | 122.6° |
| C13 | S17 | C16 | 93.0° | 90.9° |
| C15 | C14 | H14 | 123.8° | 122.5° |
| C14 | C15 | C16 | 113.5° | 114.9° |
| C14 | C15 | H15 | 123.3° | 122.6° |
| C16 | C15 | H15 | 123.2° | 122.5° |
| C15 | C16 | S17 | 110.6° | 109.6° |
| C15 | C16 | H16 | 124.7° | 125.2° |
| S17 | C16 | H16 | 124.7° | 125.2° |
| O20 | C19 | O31 | 121.0° | 119.9° |
| C19 | O20 | C27 | 122.1° | 117.0° |
| O20 | C27 | C31 | 113.8° | 110.5° |
| O20 | C27 | C28 | 114.4° | 110.5° |
| O20 | C27 | H27 | 101.4° | 110.4° |
| O29 | C24 | N28 | 119.0° | 120.0° |
| C24 | N28 | C33 | 122.2° | 120.0° |
| C24 | N28 | HN28 | 118.9° | 120.0° |
| C31 | C27 | C28 | 104.6° | 104.2° |
| C31 | C27 | H27 | 111.8° | 110.6° |
| C27 | C31 | C30 | 103.4° | 102.8° |
| C27 | C31 | H31 | 111.6° | 110.8° |
| C27 | C31 | H31A | 111.6° | 110.8° |
| C28 | C27 | H27 | 111.1° | 110.5° |
| C27 | C28 | C29 | 102.1° | 106.6° |
| C27 | C28 | H28 | 112.0° | 110.0° |
| C27 | C28 | H28A | 112.0° | 110.0° |
| C29 | C28 | H28 | 112.0° | 110.1° |
| C29 | C28 | H28A | 112.0° | 110.1° |
| C28 | C29 | C30 | 105.9° | 106.6° |
| C28 | C29 | H29 | 110.7° | 110.0° |
| C28 | C29 | H29A | 110.7° | 110.0° |
| H28 | C28 | H28A | 106.8° | 110.1° |
| C33 | N28 | HN28 | 118.9° | 120.0° |
| N28 | C33 | C32 | 110.6° | 109.5° |
| N28 | C33 | H33 | 109.1° | 109.5° |
| N28 | C33 | H33A | 109.1° | 109.5° |
| C30 | C29 | H29 | 110.7° | 110.0° |
| C30 | C29 | H29A | 110.7° | 110.1° |
| C29 | C30 | C31 | 106.2° | 104.2° |
| C29 | C30 | H30 | 110.6° | 110.5° |
| C29 | C30 | H30A | 110.6° | 110.4° |
| H29 | C29 | H29A | 108.3° | 110.0° |
| C31 | C30 | H30 | 110.6° | 110.6° |
| C31 | C30 | H30A | 110.6° | 110.5° |
| C30 | C31 | H31 | 111.5° | 110.7° |
| C30 | C31 | H31A | 111.5° | 110.7° |
| H30 | C30 | H30A | 108.3° | 110.5° |
| H31 | C31 | H31A | 107.3° | 110.8° |
| C33 | C32 | H32 | 109.5° | 109.5° |
| C33 | C32 | H32A | 109.5° | 109.4° |
| C33 | C32 | H32B | 109.5° | 109.4° |
| C32 | C33 | H33 | 109.1° | 109.5° |
| C32 | C33 | H33A | 109.1° | 109.5° |
| H32 | C32 | H32A | 109.5° | 109.5° |
| H32 | C32 | H32B | 109.5° | 109.5° |
| H32A | C32 | H32B | 109.5° | 109.4° |
| H33 | C33 | H33A | 109.8° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C1 | C9 | C2 | 179.4° | 179.7° |
| C5 | C1 | C2 | C3 | 0.5° | 0.1° |
| C5 | C1 | C2 | C19 | 178.7° | 179.9° |
| C1 | C5 | S4 | C3 | 0.4° | 0.1° |
| C1 | C5 | S4 | C6 | 178.8° | 179.8° |
| C1 | C5 | C6 | N7 | 14.7° | 10.9° |
| C1 | C5 | C6 | H6 | 134.8° | 108.6° |
| C1 | C5 | C6 | H6A | 105.2° | 130.6° |
| C5 | C1 | C9 | C8 | 14.7° | 18.9° |
| C5 | C1 | C9 | H9 | 134.7° | 100.9° |
| C5 | C1 | C9 | H9A | 105.3° | 138.8° |
| C9 | C1 | C2 | C3 | 178.9° | 179.6° |
| C9 | C1 | C2 | C19 | 0.8° | 0.4° |
| C9 | C1 | C5 | S4 | 179.0° | 179.6° |
| C9 | C1 | C5 | C6 | 0.3° | 0.7° |
| C1 | C9 | C8 | N7 | 45.5° | 46.4° |
| C1 | C9 | C8 | H9 | 120.0° | 119.9° |
| C1 | C9 | C8 | H9A | 120.0° | 119.9° |
| C1 | C9 | C8 | H8 | 165.5° | 73.3° |
| C1 | C9 | C8 | H8A | 74.5° | 166.2° |
| C1 | C9 | H9 | H9A | 119.6° | 120.2° |
| C1 | C2 | C3 | C19 | 178.0° | 180.0° |
| C1 | C2 | C3 | S4 | 0.3° | 0.1° |
| C1 | C2 | C3 | N10 | 177.2° | 179.9° |
| C2 | C1 | C5 | S4 | 0.6° | 0.2° |
| C2 | C1 | C5 | C6 | 179.3° | 179.6° |
| C2 | C1 | C9 | C8 | 165.9° | 161.3° |
| C2 | C1 | C9 | H9 | 45.9° | 78.8° |
| C2 | C1 | C9 | H9A | 74.1° | 41.4° |
| C1 | C2 | C19 | O20 | 17.8° | 90.0° |
| C1 | C2 | C19 | O31 | 179.7° | 90.0° |
| C2 | C3 | S4 | N10 | 176.9° | 180.0° |
| C2 | C3 | S4 | C5 | 0.0° | 0.0° |
| C2 | C3 | N10 | C11 | 179.2° | 180.0° |
| C2 | C3 | N10 | HN10 | 0.8° | 0.0° |
| C3 | C2 | C19 | O20 | 160.0° | 90.0° |
| C3 | C2 | C19 | O31 | 2.5° | 90.0° |
| C19 | C2 | C3 | S4 | 178.3° | 179.9° |
| C19 | C2 | C3 | N10 | 4.7° | 0.1° |
| C2 | C19 | O20 | O31 | 162.4° | 180.0° |
| C2 | C19 | O20 | C27 | 166.3° | 180.0° |
| C3 | S4 | C5 | C6 | 179.2° | 179.7° |
| S4 | C3 | N10 | C11 | 4.3° | 0.0° |
| S4 | C3 | N10 | HN10 | 175.7° | 180.0° |
| N10 | C3 | S4 | C5 | 176.9° | 180.0° |
| C3 | N10 | C11 | HN10 | 180.0° | 180.0° |
| C3 | N10 | C11 | O18 | 2.3° | 0.0° |
| C3 | N10 | C11 | C12 | 175.0° | 180.0° |
| S4 | C5 | C6 | N7 | 163.9° | 169.4° |
| S4 | C5 | C6 | H6 | 43.9° | 71.1° |
| S4 | C5 | C6 | H6A | 76.1° | 49.7° |
| C5 | C6 | N7 | H6 | 120.0° | 119.5° |
| C5 | C6 | N7 | H6A | 120.0° | 119.6° |
| C5 | C6 | H6 | H6A | 120.4° | 120.8° |
| C5 | C6 | N7 | C24 | 106.2° | 136.1° |
| C5 | C6 | N7 | C8 | 47.5° | 43.9° |
| N7 | C6 | H6 | H6A | 120.4° | 121.0° |
| C6 | N7 | C24 | C8 | 152.8° | 180.0° |
| C6 | N7 | C8 | C9 | 66.6° | 64.6° |
| C6 | N7 | C8 | H8 | 173.4° | 55.2° |
| C6 | N7 | C8 | H8A | 53.4° | 175.6° |
| C6 | N7 | C24 | O29 | 13.5° | 174.8° |
| C6 | N7 | C24 | N28 | 172.2° | 5.2° |
| H6 | C6 | N7 | C24 | 13.8° | 104.4° |
| H6 | C6 | N7 | C8 | 167.5° | 75.6° |
| H6A | C6 | N7 | C24 | 133.8° | 16.5° |
| H6A | C6 | N7 | C8 | 72.5° | 163.5° |
| C24 | N7 | C8 | C9 | 87.9° | 115.4° |
| C24 | N7 | C8 | H8 | 32.1° | 124.8° |
| C24 | N7 | C8 | H8A | 152.0° | 4.3° |
| N7 | C24 | O29 | N28 | 174.3° | 179.9° |
| N7 | C24 | N28 | C33 | 171.8° | 175.0° |
| N7 | C24 | N28 | HN28 | 8.2° | 4.9° |
| N7 | C8 | C9 | H8 | 120.0° | 119.8° |
| N7 | C8 | C9 | H8A | 120.0° | 119.8° |
| N7 | C8 | H8 | H8A | 119.1° | 120.4° |
| N7 | C8 | C9 | H9 | 165.5° | 73.4° |
| N7 | C8 | C9 | H9A | 74.5° | 166.3° |
| C8 | N7 | C24 | O29 | 166.4° | 5.3° |
| C8 | N7 | C24 | N28 | 19.3° | 174.8° |
| C9 | C8 | H8 | H8A | 119.1° | 120.3° |
| C8 | C9 | H9 | H9A | 119.5° | 120.2° |
| H8 | C8 | C9 | H9 | 74.5° | 166.8° |
| H8 | C8 | C9 | H9A | 45.5° | 46.5° |
| H8A | C8 | C9 | H9 | 45.5° | 46.3° |
| H8A | C8 | C9 | H9A | 165.5° | 73.9° |
| N10 | C11 | O18 | C12 | 177.2° | 180.0° |
| N10 | C11 | C12 | C13 | 8.3° | 180.0° |
| N10 | C11 | C12 | H12 | 111.7° | 60.0° |
| N10 | C11 | C12 | H12A | 128.3° | 60.0° |
| HN10 | N10 | C11 | O18 | 177.7° | 180.0° |
| HN10 | N10 | C11 | C12 | 5.0° | 0.0° |
| O18 | C11 | C12 | C13 | 174.5° | 0.0° |
| O18 | C11 | C12 | H12 | 65.5° | 120.0° |
| O18 | C11 | C12 | H12A | 54.5° | 120.0° |
| C11 | C12 | C13 | H12 | 120.0° | 119.9° |
| C11 | C12 | C13 | H12A | 120.0° | 120.1° |
| C11 | C12 | H12 | H12A | 120.7° | 120.0° |
| C11 | C12 | C13 | C14 | 79.1° | 90.0° |
| C11 | C12 | C13 | S17 | 98.6° | 90.3° |
| C13 | C12 | H12 | H12A | 120.7° | 120.0° |
| C12 | C13 | C14 | S17 | 178.0° | 179.8° |
| C12 | C13 | C14 | C15 | 177.9° | 180.0° |
| C12 | C13 | C14 | H14 | 2.1° | 0.0° |
| C12 | C13 | S17 | C16 | 177.8° | 179.9° |
| H12 | C12 | C13 | C14 | 41.0° | 30.0° |
| H12 | C12 | C13 | S17 | 141.4° | 149.7° |
| H12A | C12 | C13 | C14 | 160.9° | 150.0° |
| H12A | C12 | C13 | S17 | 21.4° | 29.8° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C13 | C14 | C15 | H15 | 179.9° | 180.0° |
| C14 | C13 | S17 | C16 | 0.2° | 0.3° |
| S17 | C13 | C14 | C15 | 0.1° | 0.2° |
| S17 | C13 | C14 | H14 | 179.9° | 179.8° |
| C13 | S17 | C16 | C15 | 0.2° | 0.3° |
| C13 | S17 | C16 | H16 | 179.8° | 179.9° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | S17 | 0.2° | 0.3° |
| C14 | C15 | C16 | H16 | 179.8° | 180.0° |
| H14 | C14 | C15 | C16 | 179.9° | 180.0° |
| H14 | C14 | C15 | H15 | 0.1° | 0.0° |
| C15 | C16 | S17 | H16 | 180.0° | 179.8° |
| H15 | C15 | C16 | S17 | 179.8° | 179.8° |
| H15 | C15 | C16 | H16 | 0.2° | 0.0° |
| C19 | O20 | C27 | C31 | 178.5° | 95.2° |
| C19 | O20 | C27 | C28 | 58.3° | 150.0° |
| C19 | O20 | C27 | H27 | 61.4° | 27.5° |
| O31 | C19 | O20 | C27 | 31.3° | 0.0° |
| O20 | C27 | C31 | C28 | 125.6° | 118.7° |
| O20 | C27 | C31 | H27 | 114.1° | 122.6° |
| O20 | C27 | C28 | H27 | 114.1° | 122.5° |
| O20 | C27 | C28 | C29 | 82.9° | 142.3° |
| O20 | C27 | C28 | H28 | 37.1° | 23.0° |
| O20 | C27 | C28 | H28A | 157.1° | 98.4° |
| O20 | C27 | C31 | C30 | 87.2° | 156.6° |
| O20 | C27 | C31 | H31 | 152.8° | 85.1° |
| O20 | C27 | C31 | H31A | 32.8° | 38.4° |
| O29 | C24 | N28 | C33 | 2.6° | 5.0° |
| O29 | C24 | N28 | HN28 | 177.4° | 175.1° |
| C24 | N28 | C33 | HN28 | 180.0° | 179.9° |
| C24 | N28 | C33 | C32 | 98.6° | 179.9° |
| C24 | N28 | C33 | H33 | 21.4° | 60.0° |
| C24 | N28 | C33 | H33A | 141.4° | 59.9° |
| C31 | C27 | C28 | H27 | 120.8° | 118.8° |
| C31 | C27 | C28 | C29 | 42.2° | 23.6° |
| C31 | C27 | C28 | H28 | 162.2° | 95.7° |
| C31 | C27 | C28 | H28A | 77.8° | 142.9° |
| C27 | C31 | C30 | C29 | 19.0° | 37.9° |
| C27 | C31 | C30 | H31 | 120.0° | 118.3° |
| C27 | C31 | C30 | H31A | 120.0° | 118.3° |
| C27 | C31 | C30 | H30 | 101.0° | 156.7° |
| C27 | C31 | C30 | H30A | 139.0° | 80.7° |
| C27 | C31 | H31 | H31A | 122.5° | 123.4° |
| C27 | C28 | C29 | H28 | 120.0° | 119.2° |
| C27 | C28 | C29 | H28A | 120.0° | 119.2° |
| C27 | C28 | H28 | H28A | 123.0° | 121.4° |
| C27 | C28 | C29 | C30 | 29.6° | 0.0° |
| C27 | C28 | C29 | H29 | 90.4° | 119.3° |
| C27 | C28 | C29 | H29A | 149.5° | 119.4° |
| C28 | C27 | C31 | C30 | 38.3° | 37.9° |
| C28 | C27 | C31 | H31 | 81.7° | 156.2° |
| C28 | C27 | C31 | H31A | 158.3° | 80.3° |
| H27 | C27 | C28 | C29 | 163.0° | 95.2° |
| H27 | C27 | C28 | H28 | 77.0° | 145.5° |
| H27 | C27 | C28 | H28A | 43.0° | 24.1° |
| H27 | C27 | C31 | C30 | 158.7° | 80.8° |
| H27 | C27 | C31 | H31 | 38.6° | 37.5° |
| H27 | C27 | C31 | H31A | 81.4° | 160.9° |
| C29 | C28 | H28 | H28A | 122.9° | 121.5° |
| C28 | C29 | C30 | H29 | 120.0° | 119.2° |
| C28 | C29 | C30 | H29A | 120.0° | 119.3° |
| C28 | C29 | H29 | H29A | 121.5° | 121.3° |
| C28 | C29 | C30 | C31 | 6.5° | 23.6° |
| C28 | C29 | C30 | H30 | 126.5° | 142.3° |
| C28 | C29 | C30 | H30A | 113.5° | 95.1° |
| H28 | C28 | C29 | C30 | 149.6° | 119.2° |
| H28 | C28 | C29 | H29 | 29.6° | 0.0° |
| H28 | C28 | C29 | H29A | 90.4° | 121.4° |
| H28A | C28 | C29 | C30 | 90.5° | 119.3° |
| H28A | C28 | C29 | H29 | 149.6° | 121.5° |
| H28A | C28 | C29 | H29A | 29.5° | 0.1° |
| N28 | C33 | C32 | H33 | 120.0° | 120.0° |
| N28 | C33 | C32 | H33A | 120.0° | 120.1° |
| N28 | C33 | C32 | H32 | 180.0° | 180.0° |
| N28 | C33 | C32 | H32A | 60.0° | 60.0° |
| N28 | C33 | C32 | H32B | 60.0° | 59.9° |
| N28 | C33 | H33 | H33A | 119.6° | 120.0° |
| HN28 | N28 | C33 | C32 | 81.4° | 0.0° |
| HN28 | N28 | C33 | H33 | 158.6° | 120.1° |
| HN28 | N28 | C33 | H33A | 38.6° | 120.0° |
| C30 | C29 | H29 | H29A | 121.5° | 121.5° |
| C29 | C30 | C31 | H30 | 120.0° | 118.8° |
| C29 | C30 | C31 | H30A | 120.0° | 118.6° |
| C29 | C30 | H30 | H30A | 121.4° | 122.5° |
| C29 | C30 | C31 | H31 | 101.0° | 156.2° |
| C29 | C30 | C31 | H31A | 139.0° | 80.4° |
| H29 | C29 | C30 | C31 | 113.5° | 95.7° |
| H29 | C29 | C30 | H30 | 6.5° | 23.1° |
| H29 | C29 | C30 | H30A | 126.6° | 145.7° |
| H29A | C29 | C30 | C31 | 126.5° | 142.9° |
| H29A | C29 | C30 | H30 | 113.5° | 98.3° |
| H29A | C29 | C30 | H30A | 6.5° | 24.2° |
| C31 | C30 | H30 | H30A | 121.3° | 122.6° |
| C30 | C31 | H31 | H31A | 122.4° | 123.2° |
| H30 | C30 | C31 | H31 | 139.0° | 85.0° |
| H30 | C30 | C31 | H31A | 19.0° | 38.3° |
| H30A | C30 | C31 | H31 | 19.0° | 37.6° |
| H30A | C30 | C31 | H31A | 101.0° | 161.0° |
| C33 | C32 | H32 | H32A | 120.0° | 120.0° |
| C33 | C32 | H32 | H32B | 120.0° | 119.9° |
| C33 | C32 | H32A | H32B | 120.0° | 119.9° |
| C32 | C33 | H33 | H33A | 119.5° | 120.0° |
| H32 | C32 | H32A | H32B | 120.0° | 120.1° |
| H32 | C32 | C33 | H33 | 60.0° | 59.9° |
| H32 | C32 | C33 | H33A | 60.0° | 60.0° |
| H32A | C32 | C33 | H33 | 180.0° | 180.0° |
| H32A | C32 | C33 | H33A | 60.0° | 60.1° |
| H32B | C32 | C33 | H33 | 60.0° | 60.1° |
| H32B | C32 | C33 | H33A | 180.0° | 180.0° |
