ITC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.25Å | |
| C1 | C2 | sing | 1.46Å | 1.45Å | |
| C1 | C4B | sing | 1.52Å | 1.54Å | |
| C2 | C2' | sing | 1.47Å | 1.48Å | |
| C2 | C3 | doub | 1.37Å | 1.37Å | |
| C2' | O2' | doub | 1.22Å | 1.23Å | |
| C2' | N2' | sing | 1.35Å | 1.34Å | |
| C3 | O3 | sing | 1.34Å | 1.34Å | |
| C3 | C4 | sing | 1.50Å | 1.51Å | |
| C4 | N4 | sing | 1.47Å | 1.48Å | |
| C4 | C4A | sing | 1.52Å | 1.56Å | |
| N4 | C4' | sing | 1.47Å | 1.47Å | |
| N4 | C4D | sing | 1.47Å | 1.46Å | |
| C4A | C5 | sing | 1.53Å | 1.54Å | |
| C4A | C4B | sing | 1.54Å | 1.53Å | |
| C5 | C5A | sing | 1.53Å | 1.53Å | |
| C5A | C6 | sing | 1.53Å | 1.55Å | |
| C5A | C5B | sing | 1.53Å | 1.51Å | |
| C6 | O6 | sing | 1.45Å | 1.44Å | |
| C6 | C6' | sing | 1.53Å | 1.53Å | |
| C6 | C6A | sing | 1.51Å | 1.51Å | |
| O6 | C11 | sing | 1.34Å | 1.46Å | |
| C6A | C7 | sing | 1.38Å | 1.41Å | Aromatic |
| C6A | C6B | doub | 1.40Å | 1.36Å | Aromatic |
| C7 | CL7 | sing | 1.74Å | 1.76Å | |
| C7 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | O10 | sing | 1.36Å | 1.32Å | |
| C10 | C6B | sing | 1.40Å | 1.39Å | Aromatic |
| C6B | C11 | sing | 1.47Å | 1.46Å | |
| O11 | C11 | doub | 1.22Å | 1.29Å | |
| C5B | C12 | sing | 1.51Å | 1.36Å | |
| C12 | O12 | doub | 1.21Å | 1.31Å | |
| C12 | C4B | sing | 1.52Å | 1.50Å | |
| C4B | O4B | sing | 1.43Å | 1.42Å | |
| N2' | H2'1 | sing | 0.97Å | 1.00Å | |
| N2' | H2'2 | sing | 0.97Å | 1.00Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4A | H4A | sing | 1.09Å | 1.10Å | |
| C4' | H4'1 | sing | 1.09Å | 1.10Å | |
| C4' | H4'2 | sing | 1.09Å | 1.10Å | |
| C4' | H4'3 | sing | 1.09Å | 1.10Å | |
| C4D | H4D1 | sing | 1.09Å | 1.10Å | |
| C4D | H4D2 | sing | 1.09Å | 1.10Å | |
| C4D | H4D3 | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C5A | H5A | sing | 1.09Å | 1.10Å | |
| C5B | H5B1 | sing | 1.09Å | 1.10Å | |
| C5B | H5B2 | sing | 1.09Å | 1.10Å | |
| C6' | H6'1 | sing | 1.09Å | 1.10Å | |
| C6' | H6'2 | sing | 1.09Å | 1.10Å | |
| C6' | H6'3 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| O10 | H10 | sing | 0.97Å | 0.95Å | |
| O4B | H4B | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 120.9° | 121.0° |
| O1 | C1 | C4B | 122.3° | 120.9° |
| C2 | C1 | C4B | 116.7° | 118.1° |
| C1 | C2 | C2' | 121.1° | 119.9° |
| C1 | C2 | C3 | 118.1° | 120.2° |
| C1 | C4B | C4A | 109.9° | 107.3° |
| C1 | C4B | C12 | 111.9° | 107.8° |
| C1 | C4B | O4B | 110.8° | 111.0° |
| C2' | C2 | C3 | 120.8° | 119.9° |
| C2 | C2' | O2' | 120.0° | 120.0° |
| C2 | C2' | N2' | 120.5° | 120.0° |
| C2 | C3 | O3 | 119.7° | 118.8° |
| C2 | C3 | C4 | 124.7° | 122.4° |
| O2' | C2' | N2' | 119.2° | 120.0° |
| C2' | N2' | H2'1 | 110.2° | 120.0° |
| C2' | N2' | H2'2 | 124.9° | 120.0° |
| O3 | C3 | C4 | 115.5° | 118.8° |
| C3 | O3 | H3 | 109.5° | 117.0° |
| C3 | C4 | N4 | 111.2° | 109.1° |
| C3 | C4 | C4A | 115.2° | 111.5° |
| C3 | C4 | H4 | 106.5° | 109.1° |
| N4 | C4 | C4A | 115.6° | 109.1° |
| C4 | N4 | C4' | 115.8° | 111.0° |
| C4 | N4 | C4D | 107.7° | 111.0° |
| N4 | C4 | H4 | 106.0° | 109.1° |
| C4 | C4A | C5 | 109.0° | 110.5° |
| C4 | C4A | C4B | 113.4° | 109.7° |
| C4A | C4 | H4 | 101.0° | 109.1° |
| C4 | C4A | H4A | 107.3° | 109.3° |
| C4' | N4 | C4D | 113.3° | 111.0° |
| N4 | C4' | H4'1 | 109.5° | 109.4° |
| N4 | C4' | H4'2 | 109.5° | 109.5° |
| N4 | C4' | H4'3 | 109.5° | 109.5° |
| N4 | C4D | H4D1 | 109.5° | 109.5° |
| N4 | C4D | H4D2 | 109.5° | 109.4° |
| N4 | C4D | H4D3 | 109.4° | 109.5° |
| C5 | C4A | C4B | 110.2° | 109.4° |
| C4A | C5 | C5A | 113.4° | 109.7° |
| C5 | C4A | H4A | 110.7° | 109.3° |
| C4A | C5 | H51C | 108.2° | 109.5° |
| C4A | C5 | H52C | 107.3° | 109.5° |
| C4A | C4B | C12 | 108.3° | 107.3° |
| C4A | C4B | O4B | 106.7° | 111.2° |
| C4B | C4A | H4A | 106.1° | 108.6° |
| C5 | C5A | C6 | 115.6° | 109.5° |
| C5 | C5A | C5B | 106.2° | 109.6° |
| C5A | C5 | H51C | 108.2° | 109.4° |
| C5A | C5 | H52C | 107.3° | 109.4° |
| C5 | C5A | H5A | 108.7° | 109.5° |
| C6 | C5A | C5B | 112.6° | 109.5° |
| C5A | C6 | O6 | 110.8° | 110.0° |
| C5A | C6 | C6' | 115.4° | 110.1° |
| C5A | C6 | C6A | 108.2° | 110.1° |
| C6 | C5A | H5A | 101.8° | 109.5° |
| C5A | C5B | C12 | 112.9° | 108.8° |
| C5B | C5A | H5A | 111.9° | 109.4° |
| C5A | C5B | H5B1 | 108.4° | 109.6° |
| C5A | C5B | H5B2 | 107.6° | 109.6° |
| O6 | C6 | C6' | 105.6° | 110.1° |
| O6 | C6 | C6A | 103.4° | 106.3° |
| C6 | O6 | C11 | 111.7° | 109.0° |
| C6' | C6 | C6A | 112.8° | 110.2° |
| C6 | C6' | H6'1 | 109.5° | 109.5° |
| C6 | C6' | H6'2 | 109.5° | 109.5° |
| C6 | C6' | H6'3 | 109.4° | 109.5° |
| C6 | C6A | C7 | 130.8° | 133.3° |
| C6 | C6A | C6B | 109.8° | 106.3° |
| O6 | C11 | C6B | 104.1° | 110.3° |
| O6 | C11 | O11 | 131.6° | 124.9° |
| C7 | C6A | C6B | 119.4° | 120.4° |
| C6A | C7 | CL7 | 122.3° | 120.0° |
| C6A | C7 | C8 | 120.3° | 120.1° |
| C6A | C6B | C10 | 121.6° | 119.3° |
| C6A | C6B | C11 | 111.0° | 108.1° |
| CL7 | C7 | C8 | 117.4° | 120.0° |
| C7 | C8 | C9 | 119.4° | 120.3° |
| C7 | C8 | H8 | 120.3° | 119.8° |
| C8 | C9 | C10 | 119.6° | 120.3° |
| C9 | C8 | H8 | 120.3° | 119.8° |
| C8 | C9 | H9 | 120.2° | 119.9° |
| C9 | C10 | O10 | 120.4° | 120.2° |
| C9 | C10 | C6B | 119.7° | 119.7° |
| C10 | C9 | H9 | 120.2° | 119.9° |
| O10 | C10 | C6B | 119.9° | 120.2° |
| C10 | O10 | H10 | 109.5° | 114.0° |
| C10 | C6B | C11 | 127.4° | 132.6° |
| C6B | C11 | O11 | 124.3° | 124.9° |
| C5B | C12 | O12 | 121.2° | 121.0° |
| C5B | C12 | C4B | 117.7° | 118.2° |
| C12 | C5B | H5B1 | 108.3° | 109.6° |
| C12 | C5B | H5B2 | 107.5° | 109.5° |
| O12 | C12 | C4B | 120.9° | 120.8° |
| C12 | C4B | O4B | 109.0° | 112.1° |
| C4B | O4B | H4B | 109.5° | 114.0° |
| H2'1 | N2' | H2'2 | 124.9° | 120.0° |
| H4'1 | C4' | H4'2 | 109.5° | 109.5° |
| H4'1 | C4' | H4'3 | 109.4° | 109.4° |
| H4'2 | C4' | H4'3 | 109.5° | 109.5° |
| H4D1 | C4D | H4D2 | 109.5° | 109.5° |
| H4D1 | C4D | H4D3 | 109.5° | 109.5° |
| H4D2 | C4D | H4D3 | 109.5° | 109.5° |
| H51C | C5 | H52C | 112.5° | 109.4° |
| H5B1 | C5B | H5B2 | 112.2° | 109.7° |
| H6'1 | C6' | H6'2 | 109.5° | 109.5° |
| H6'1 | C6' | H6'3 | 109.4° | 109.5° |
| H6'2 | C6' | H6'3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | C4B | 176.0° | 179.8° |
| O1 | C1 | C2 | C2' | 22.3° | 11.9° |
| O1 | C1 | C2 | C3 | 158.7° | 168.1° |
| O1 | C1 | C4B | C4A | 131.7° | 138.0° |
| O1 | C1 | C4B | C12 | 11.3° | 22.8° |
| O1 | C1 | C4B | O4B | 110.6° | 100.3° |
| C1 | C2 | C2' | C3 | 179.0° | 180.0° |
| C1 | C2 | C2' | O2' | 175.3° | 76.9° |
| C1 | C2 | C2' | N2' | 11.0° | 103.2° |
| C1 | C2 | C3 | O3 | 177.4° | 179.3° |
| C1 | C2 | C3 | C4 | 6.3° | 0.8° |
| C2 | C1 | C4B | C4A | 52.4° | 42.2° |
| C2 | C1 | C4B | C12 | 172.8° | 157.5° |
| C2 | C1 | C4B | O4B | 65.3° | 79.4° |
| C4B | C1 | C2 | C2' | 153.7° | 167.9° |
| C4B | C1 | C2 | C3 | 25.3° | 12.1° |
| C1 | C4B | C4A | C4 | 48.0° | 62.1° |
| C1 | C4B | C4A | C5 | 74.5° | 59.3° |
| C1 | C4B | C4A | C12 | 122.6° | 115.6° |
| C1 | C4B | C4A | O4B | 120.2° | 121.5° |
| C1 | C4B | C12 | C5B | 67.1° | 62.6° |
| C1 | C4B | C12 | O12 | 118.0° | 117.4° |
| C1 | C4B | C12 | O4B | 122.9° | 122.4° |
| C1 | C4B | C4A | H4A | 165.5° | 178.5° |
| C1 | C4B | O4B | H4B | 81.2° | 64.6° |
| C2 | C2' | O2' | N2' | 173.8° | 179.9° |
| C2' | C2 | C3 | O3 | 1.6° | 0.8° |
| C2' | C2 | C3 | C4 | 174.7° | 179.2° |
| C2 | C2' | N2' | H2'1 | 3.2° | 5.2° |
| C2 | C2' | N2' | H2'2 | 176.9° | 175.0° |
| C3 | C2 | C2' | O2' | 3.7° | 103.1° |
| C3 | C2 | C2' | N2' | 170.0° | 76.8° |
| C2 | C3 | O3 | C4 | 176.7° | 180.0° |
| C2 | C3 | C4 | N4 | 142.4° | 98.7° |
| C2 | C3 | C4 | C4A | 8.4° | 21.7° |
| C2 | C3 | O3 | H3 | 52.7° | 5.0° |
| C2 | C3 | C4 | H4 | 102.6° | 142.2° |
| O2' | C2' | N2' | H2'1 | 177.0° | 174.9° |
| O2' | C2' | N2' | H2'2 | 3.1° | 4.9° |
| C2' | N2' | H2'1 | H2'2 | 180.0° | 179.8° |
| O3 | C3 | C4 | N4 | 41.1° | 81.2° |
| O3 | C3 | C4 | C4A | 175.1° | 158.3° |
| O3 | C3 | C4 | H4 | 73.9° | 37.8° |
| C3 | C4 | N4 | C4A | 133.7° | 121.9° |
| C3 | C4 | N4 | H4 | 115.3° | 119.0° |
| C3 | C4 | C4A | H4 | 114.2° | 120.5° |
| C3 | C4 | N4 | C4' | 85.5° | 173.3° |
| C3 | C4 | N4 | C4D | 146.5° | 49.3° |
| C3 | C4 | C4A | C5 | 102.8° | 68.1° |
| C3 | C4 | C4A | C4B | 20.4° | 52.6° |
| C4 | C3 | O3 | H3 | 130.6° | 175.0° |
| C3 | C4 | C4A | H4A | 137.2° | 171.6° |
| N4 | C4 | C4A | H4 | 113.8° | 119.0° |
| C4 | N4 | C4' | C4D | 125.2° | 123.9° |
| N4 | C4 | C4A | C5 | 125.3° | 171.4° |
| N4 | C4 | C4A | C4B | 111.5° | 67.8° |
| N4 | C4 | C4A | H4A | 5.3° | 51.1° |
| C4 | N4 | C4' | H4'1 | 33.6° | 59.9° |
| C4 | N4 | C4' | H4'2 | 86.4° | 180.0° |
| C4 | N4 | C4' | H4'3 | 153.6° | 60.0° |
| C4 | N4 | C4D | H4D1 | 151.1° | 67.8° |
| C4 | N4 | C4D | H4D2 | 88.9° | 172.2° |
| C4 | N4 | C4D | H4D3 | 31.1° | 52.2° |
| C4A | C4 | N4 | C4' | 48.2° | 64.8° |
| C4A | C4 | N4 | C4D | 79.8° | 171.3° |
| C4 | C4A | C5 | C4B | 125.1° | 121.0° |
| C4 | C4A | C5 | H4A | 117.8° | 120.3° |
| C4 | C4A | C4B | H4A | 117.5° | 119.4° |
| C4 | C4A | C5 | C5A | 179.1° | 174.5° |
| C4 | C4A | C4B | C12 | 170.6° | 177.7° |
| C4 | C4A | C4B | O4B | 72.2° | 59.4° |
| C4 | C4A | C5 | H51C | 59.1° | 65.5° |
| C4 | C4A | C5 | H52C | 62.6° | 54.4° |
| C4' | N4 | C4 | H4 | 159.1° | 54.2° |
| N4 | C4' | H4'1 | H4'2 | 120.0° | 120.0° |
| N4 | C4' | H4'1 | H4'3 | 120.0° | 119.9° |
| N4 | C4' | H4'2 | H4'3 | 120.0° | 120.0° |
| C4' | N4 | C4D | H4D1 | 79.5° | 168.2° |
| C4' | N4 | C4D | H4D2 | 40.5° | 48.2° |
| C4' | N4 | C4D | H4D3 | 160.5° | 71.7° |
| C4D | N4 | C4 | H4 | 31.2° | 69.7° |
| C4D | N4 | C4' | H4'1 | 158.8° | 64.0° |
| C4D | N4 | C4' | H4'2 | 38.8° | 56.0° |
| C4D | N4 | C4' | H4'3 | 81.2° | 176.1° |
| N4 | C4D | H4D1 | H4D2 | 120.0° | 120.0° |
| N4 | C4D | H4D1 | H4D3 | 120.0° | 120.0° |
| N4 | C4D | H4D2 | H4D3 | 120.0° | 120.0° |
| C5 | C4A | C4B | H4A | 119.9° | 119.2° |
| C4A | C5 | C5A | H51C | 120.0° | 120.1° |
| C4A | C5 | C5A | H52C | 118.3° | 120.1° |
| C4A | C5 | C5A | C6 | 179.2° | 177.0° |
| C4A | C5 | C5A | C5B | 55.1° | 62.9° |
| C5 | C4A | C4B | C12 | 48.0° | 56.3° |
| C5 | C4A | C4B | O4B | 165.3° | 179.2° |
| C5 | C4A | C4 | H4 | 11.4° | 52.4° |
| C4A | C5 | H51C | H52C | 118.4° | 120.0° |
| C4A | C5 | C5A | H5A | 65.5° | 57.0° |
| C4B | C4A | C5 | C5A | 54.0° | 64.6° |
| C4A | C4B | C12 | C5B | 54.2° | 52.7° |
| C4A | C4B | C12 | O12 | 120.6° | 127.4° |
| C4A | C4B | C12 | O4B | 115.7° | 122.3° |
| C4B | C4A | C4 | H4 | 134.6° | 173.1° |
| C4B | C4A | C5 | H51C | 66.1° | 55.5° |
| C4B | C4A | C5 | H52C | 172.3° | 175.4° |
| C4A | C4B | O4B | H4B | 159.2° | 176.1° |
| C5 | C5A | C6 | C5B | 122.4° | 120.1° |
| C5 | C5A | C6 | H5A | 117.6° | 120.0° |
| C5 | C5A | C5B | H5A | 118.5° | 120.0° |
| C5 | C5A | C6 | O6 | 66.0° | 61.5° |
| C5 | C5A | C6 | C6' | 54.0° | 60.0° |
| C5 | C5A | C6 | C6A | 178.6° | 178.3° |
| C5 | C5A | C5B | C12 | 56.8° | 53.9° |
| C5A | C5 | C4A | H4A | 63.1° | 54.2° |
| C5A | C5 | H51C | H52C | 118.4° | 119.8° |
| C5 | C5A | C5B | H5B1 | 63.2° | 65.9° |
| C5 | C5A | C5B | H5B2 | 175.3° | 173.7° |
| C6 | C5A | C5B | H5A | 113.9° | 119.9° |
| C5A | C6 | O6 | C6' | 125.6° | 121.5° |
| C5A | C6 | O6 | C6A | 115.8° | 119.2° |
| C5A | C6 | C6' | C6A | 125.1° | 121.6° |
| C5A | C6 | O6 | C11 | 113.3° | 119.3° |
| C5A | C6 | C6A | C7 | 62.0° | 60.9° |
| C5A | C6 | C6A | C6B | 116.0° | 119.2° |
| C6 | C5A | C5B | C12 | 175.6° | 174.0° |
| C6 | C5A | C5 | H51C | 60.8° | 62.9° |
| C6 | C5A | C5 | H52C | 60.9° | 56.9° |
| C6 | C5A | C5B | H5B1 | 64.4° | 54.2° |
| C6 | C5A | C5B | H5B2 | 57.1° | 66.2° |
| C5A | C6 | C6' | H6'1 | 16.2° | 60.0° |
| C5A | C6 | C6' | H6'2 | 103.8° | 180.0° |
| C5A | C6 | C6' | H6'3 | 136.2° | 60.0° |
| C5B | C5A | C6 | O6 | 56.4° | 58.7° |
| C5B | C5A | C6 | C6' | 176.4° | 179.8° |
| C5B | C5A | C6 | C6A | 56.2° | 58.2° |
| C5A | C5B | C12 | H5B1 | 120.0° | 119.8° |
| C5A | C5B | C12 | H5B2 | 118.5° | 119.8° |
| C5A | C5B | C12 | O12 | 114.7° | 128.2° |
| C5A | C5B | C12 | C4B | 60.2° | 51.9° |
| C5B | C5A | C5 | H51C | 64.9° | 57.1° |
| C5B | C5A | C5 | H52C | 173.4° | 177.0° |
| C5A | C5B | H5B1 | H5B2 | 118.6° | 120.4° |
| O6 | C6 | C6' | C6A | 112.2° | 117.0° |
| O6 | C6 | C6A | C7 | 179.6° | 180.0° |
| O6 | C6 | C6A | C6B | 1.6° | 0.1° |
| C6 | O6 | C11 | C6B | 2.5° | 0.0° |
| C6 | O6 | C11 | O11 | 176.6° | 180.0° |
| O6 | C6 | C5A | H5A | 176.5° | 178.6° |
| O6 | C6 | C6' | H6'1 | 106.5° | 178.6° |
| O6 | C6 | C6' | H6'2 | 133.5° | 58.5° |
| O6 | C6 | C6' | H6'3 | 13.5° | 61.5° |
| C6' | C6 | O6 | C11 | 121.1° | 119.3° |
| C6' | C6 | C6A | C7 | 66.9° | 60.7° |
| C6' | C6 | C6A | C6B | 115.1° | 119.2° |
| C6' | C6 | C5A | H5A | 63.6° | 59.9° |
| C6 | C6' | H6'1 | H6'2 | 120.0° | 120.0° |
| C6 | C6' | H6'1 | H6'3 | 120.0° | 120.0° |
| C6 | C6' | H6'2 | H6'3 | 120.0° | 120.0° |
| C6A | C6 | O6 | C11 | 2.5° | 0.1° |
| C6 | C6A | C7 | C6B | 177.8° | 179.9° |
| C6 | C6A | C7 | CL7 | 1.7° | 0.1° |
| C6 | C6A | C7 | C8 | 179.0° | 179.9° |
| C6 | C6A | C6B | C10 | 178.0° | 180.0° |
| C6 | C6A | C6B | C11 | 0.1° | 0.1° |
| C6A | C6 | C5A | H5A | 63.8° | 61.7° |
| C6A | C6 | C6' | H6'1 | 141.3° | 61.6° |
| C6A | C6 | C6' | H6'2 | 21.3° | 58.5° |
| C6A | C6 | C6' | H6'3 | 98.7° | 178.4° |
| O6 | C11 | C6B | C6A | 1.4° | 0.0° |
| O6 | C11 | C6B | C10 | 179.4° | 179.9° |
| O6 | C11 | C6B | O11 | 179.1° | 180.0° |
| C6A | C7 | CL7 | C8 | 179.3° | 180.0° |
| C6A | C7 | C8 | C9 | 1.5° | 0.0° |
| C7 | C6A | C6B | C10 | 0.2° | 0.1° |
| C7 | C6A | C6B | C11 | 178.4° | 180.0° |
| C6A | C7 | C8 | H8 | 178.5° | 180.0° |
| C6B | C6A | C7 | CL7 | 179.6° | 180.0° |
| C6B | C6A | C7 | C8 | 1.1° | 0.0° |
| C6A | C6B | C10 | C9 | 1.3° | 0.1° |
| C6A | C6B | C10 | O10 | 179.3° | 180.0° |
| C6A | C6B | C10 | C11 | 177.8° | 179.9° |
| C6A | C6B | C11 | O11 | 177.7° | 180.0° |
| CL7 | C7 | C8 | C9 | 179.2° | 180.0° |
| CL7 | C7 | C8 | H8 | 0.8° | 0.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.4° | 0.0° |
| C7 | C8 | C9 | H9 | 179.6° | 180.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | O10 | 179.6° | 180.0° |
| C8 | C9 | C10 | C6B | 0.9° | 0.0° |
| C9 | C10 | O10 | C6B | 179.5° | 179.9° |
| C9 | C10 | C6B | C11 | 179.1° | 180.0° |
| C10 | C9 | C8 | H8 | 179.6° | 180.0° |
| C9 | C10 | O10 | H10 | 153.1° | 90.0° |
| O10 | C10 | C6B | C11 | 1.4° | 0.1° |
| O10 | C10 | C9 | H9 | 0.4° | 0.0° |
| C10 | C6B | C11 | O11 | 0.3° | 0.0° |
| C6B | C10 | C9 | H9 | 179.1° | 179.9° |
| C6B | C10 | O10 | H10 | 26.4° | 90.0° |
| C5B | C12 | O12 | C4B | 174.7° | 179.9° |
| C5B | C12 | C4B | O4B | 170.0° | 175.0° |
| C12 | C5B | C5A | H5A | 61.7° | 66.1° |
| C12 | C5B | H5B1 | H5B2 | 118.6° | 120.3° |
| O12 | C12 | C4B | O4B | 4.9° | 5.1° |
| O12 | C12 | C5B | H5B1 | 125.3° | 112.0° |
| O12 | C12 | C5B | H5B2 | 3.8° | 8.4° |
| C12 | C4B | C4A | H4A | 71.9° | 62.9° |
| C4B | C12 | C5B | H5B1 | 59.8° | 67.9° |
| C4B | C12 | C5B | H5B2 | 178.7° | 171.7° |
| C12 | C4B | O4B | H4B | 42.4° | 56.0° |
| O4B | C4B | C4A | H4A | 45.3° | 60.0° |
| H4 | C4 | C4A | H4A | 108.6° | 67.9° |
| H4A | C4A | C5 | H51C | 176.9° | 174.2° |
| H4A | C4A | C5 | H52C | 55.2° | 65.8° |
| H4'1 | C4' | H4'2 | H4'3 | 119.9° | 120.0° |
| H4D1 | C4D | H4D2 | H4D3 | 120.0° | 120.0° |
| H51C | C5 | C5A | H5A | 174.5° | 177.1° |
| H52C | C5 | C5A | H5A | 52.8° | 63.1° |
| H5A | C5A | C5B | H5B1 | 178.3° | 174.1° |
| H5A | C5A | C5B | H5B2 | 56.8° | 53.7° |
| H6'1 | C6' | H6'2 | H6'3 | 120.0° | 120.0° |
| H8 | C8 | C9 | H9 | 0.4° | 0.0° |
