13M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.26Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | O2 | sing | 1.34Å | 1.27Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C5 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| O3 | C9 | sing | 1.36Å | 1.38Å | |
| O3 | C12 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C6 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C6 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.42Å | Aromatic |
| C8 | C15 | sing | 1.51Å | 1.50Å | |
| C9 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | N99 | sing | 1.46Å | 1.45Å | |
| C17 | C19 | doub | 1.31Å | 1.43Å | Aromatic |
| C17 | C87 | sing | 1.47Å | 1.43Å | Aromatic |
| C17 | C93 | sing | 1.47Å | 1.42Å | Aromatic |
| C19 | C96 | sing | 1.47Å | 1.43Å | Aromatic |
| C19 | C98 | sing | 1.47Å | 1.42Å | Aromatic |
| C22 | C87 | doub | 1.32Å | 1.41Å | Aromatic |
| C22 | C99 | sing | 1.47Å | 1.39Å | Aromatic |
| C85 | C86 | doub | 1.32Å | 1.40Å | Aromatic |
| C85 | C95 | sing | 1.47Å | 1.41Å | Aromatic |
| C86 | C88 | sing | 1.47Å | 1.39Å | Aromatic |
| C87 | C97 | sing | 1.47Å | 1.49Å | |
| C88 | C89 | doub | 1.31Å | 1.40Å | Aromatic |
| C89 | C91 | sing | 1.47Å | 1.40Å | Aromatic |
| C89 | C96 | sing | 1.47Å | 1.42Å | Aromatic |
| C91 | C92 | doub | 1.31Å | 1.40Å | Aromatic |
| C92 | C98 | sing | 1.47Å | 1.40Å | Aromatic |
| C93 | C94 | doub | 1.32Å | 1.40Å | Aromatic |
| C94 | C95 | sing | 1.47Å | 1.39Å | Aromatic |
| C95 | C96 | doub | 1.31Å | 1.42Å | Aromatic |
| C97 | N99 | sing | 1.35Å | 1.37Å | |
| C97 | O99 | doub | 1.21Å | 1.24Å | |
| C98 | C99 | doub | 1.32Å | 1.41Å | Aromatic |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C85 | H85 | sing | 1.08Å | 1.08Å | |
| C86 | H86 | sing | 1.08Å | 1.08Å | |
| C88 | H88 | sing | 1.08Å | 1.08Å | |
| C91 | H91 | sing | 1.08Å | 1.08Å | |
| C92 | H92 | sing | 1.08Å | 1.08Å | |
| C93 | H93 | sing | 1.08Å | 1.08Å | |
| C94 | H94 | sing | 1.08Å | 1.08Å | |
| C99 | H99 | sing | 1.08Å | 1.08Å | |
| N99 | HN99 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 118.3° | 120.0° |
| O1 | C1 | O2 | 126.9° | 120.0° |
| C2 | C1 | O2 | 114.7° | 120.0° |
| C1 | C2 | C3 | 113.6° | 109.5° |
| C1 | C2 | C5 | 104.4° | 109.5° |
| C1 | C2 | H2 | 111.3° | 109.5° |
| C1 | O2 | HO2 | 109.5° | 117.0° |
| C3 | C2 | C5 | 112.6° | 109.4° |
| C2 | C3 | C4 | 111.6° | 109.5° |
| C3 | C2 | H2 | 102.8° | 109.4° |
| C2 | C3 | H3 | 108.8° | 109.4° |
| C2 | C3 | H3A | 108.8° | 109.4° |
| C2 | C5 | C6 | 114.1° | 109.5° |
| C5 | C2 | H2 | 112.3° | 109.4° |
| C2 | C5 | H5 | 108.0° | 109.5° |
| C2 | C5 | H5A | 108.0° | 109.4° |
| C4 | C3 | H3 | 108.8° | 109.5° |
| C4 | C3 | H3A | 108.8° | 109.5° |
| C3 | C4 | H4 | 109.5° | 109.5° |
| C3 | C4 | H4A | 109.5° | 109.5° |
| C3 | C4 | H4B | 109.4° | 109.5° |
| C9 | O3 | C12 | 116.8° | 117.0° |
| O3 | C9 | C8 | 117.1° | 120.1° |
| O3 | C9 | C10 | 123.6° | 120.0° |
| O3 | C12 | H12 | 109.5° | 109.5° |
| O3 | C12 | H12A | 109.5° | 109.5° |
| O3 | C12 | H12B | 109.5° | 109.5° |
| C5 | C6 | C7 | 120.7° | 119.9° |
| C5 | C6 | C11 | 120.7° | 120.0° |
| C6 | C5 | H5 | 108.0° | 109.5° |
| C6 | C5 | H5A | 108.0° | 109.5° |
| C7 | C6 | C11 | 118.6° | 120.1° |
| C6 | C7 | C8 | 121.6° | 120.1° |
| C6 | C7 | H7 | 119.2° | 120.0° |
| C6 | C11 | C10 | 120.9° | 120.1° |
| C6 | C11 | H11 | 119.6° | 120.0° |
| C7 | C8 | C9 | 119.1° | 119.9° |
| C7 | C8 | C15 | 118.5° | 120.0° |
| C8 | C7 | H7 | 119.3° | 119.9° |
| C9 | C8 | C15 | 122.4° | 120.1° |
| C8 | C9 | C10 | 119.2° | 119.9° |
| C8 | C15 | N99 | 111.2° | 109.5° |
| C8 | C15 | H15 | 108.9° | 109.4° |
| C8 | C15 | H15A | 108.9° | 109.5° |
| C9 | C10 | C11 | 120.7° | 119.9° |
| C9 | C10 | H10 | 119.6° | 120.0° |
| C11 | C10 | H10 | 119.7° | 120.0° |
| C10 | C11 | H11 | 119.6° | 120.0° |
| C15 | N99 | C97 | 122.8° | 120.0° |
| N99 | C15 | H15 | 108.9° | 109.5° |
| N99 | C15 | H15A | 108.9° | 109.5° |
| C15 | N99 | HN99 | 118.6° | 120.0° |
| C19 | C17 | C87 | 118.5° | 119.4° |
| C19 | C17 | C93 | 116.6° | 119.6° |
| C17 | C19 | C96 | 120.5° | 120.3° |
| C17 | C19 | C98 | 120.3° | 121.2° |
| C87 | C17 | C93 | 124.9° | 121.0° |
| C17 | C87 | C22 | 120.2° | 119.7° |
| C17 | C87 | C97 | 121.9° | 120.2° |
| C17 | C93 | C94 | 123.2° | 120.1° |
| C17 | C93 | H93 | 118.4° | 119.9° |
| C96 | C19 | C98 | 119.2° | 118.5° |
| C19 | C96 | C89 | 120.4° | 118.5° |
| C19 | C96 | C95 | 120.4° | 120.3° |
| C19 | C98 | C92 | 119.6° | 119.4° |
| C19 | C98 | C99 | 119.6° | 119.3° |
| C87 | C22 | C99 | 120.4° | 120.6° |
| C22 | C87 | C97 | 117.9° | 120.1° |
| C87 | C22 | H22 | 119.8° | 119.7° |
| C22 | C99 | C98 | 120.9° | 119.8° |
| C99 | C22 | H22 | 119.8° | 119.7° |
| C22 | C99 | H99 | 119.5° | 120.0° |
| C86 | C85 | C95 | 120.1° | 119.7° |
| C85 | C86 | C88 | 120.4° | 120.5° |
| C86 | C85 | H85 | 119.9° | 120.2° |
| C85 | C86 | H86 | 119.8° | 119.7° |
| C85 | C95 | C94 | 120.9° | 121.0° |
| C85 | C95 | C96 | 119.9° | 119.4° |
| C95 | C85 | H85 | 119.9° | 120.1° |
| C86 | C88 | C89 | 120.7° | 119.9° |
| C88 | C86 | H86 | 119.8° | 119.7° |
| C86 | C88 | H88 | 119.6° | 120.0° |
| C87 | C97 | N99 | 116.2° | 120.0° |
| C87 | C97 | O99 | 121.0° | 120.0° |
| C88 | C89 | C91 | 121.1° | 121.4° |
| C88 | C89 | C96 | 119.6° | 119.2° |
| C89 | C88 | H88 | 119.6° | 120.1° |
| C91 | C89 | C96 | 119.3° | 119.3° |
| C89 | C91 | C92 | 120.4° | 122.2° |
| C89 | C91 | H91 | 119.8° | 118.9° |
| C89 | C96 | C95 | 119.2° | 121.2° |
| C91 | C92 | C98 | 121.2° | 122.2° |
| C92 | C91 | H91 | 119.8° | 119.0° |
| C91 | C92 | H92 | 119.4° | 118.9° |
| C92 | C98 | C99 | 120.8° | 121.3° |
| C98 | C92 | H92 | 119.4° | 118.9° |
| C93 | C94 | C95 | 120.2° | 120.1° |
| C94 | C93 | H93 | 118.4° | 119.9° |
| C93 | C94 | H94 | 119.9° | 120.0° |
| C94 | C95 | C96 | 119.2° | 119.6° |
| C95 | C94 | H94 | 119.9° | 120.0° |
| N99 | C97 | O99 | 122.7° | 120.0° |
| C97 | N99 | HN99 | 118.6° | 120.0° |
| C98 | C99 | H99 | 119.5° | 120.1° |
| H3 | C3 | H3A | 110.2° | 109.4° |
| H4 | C4 | H4A | 109.5° | 109.4° |
| H4 | C4 | H4B | 109.4° | 109.4° |
| H4A | C4 | H4B | 109.5° | 109.5° |
| H5 | C5 | H5A | 111.0° | 109.5° |
| H12 | C12 | H12A | 109.5° | 109.4° |
| H12 | C12 | H12B | 109.5° | 109.5° |
| H12A | C12 | H12B | 109.4° | 109.4° |
| H15 | C15 | H15A | 110.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O2 | 180.0° | 179.7° |
| O1 | C1 | C2 | C3 | 41.7° | 120.0° |
| O1 | C1 | C2 | C5 | 81.4° | 0.0° |
| O1 | C1 | C2 | H2 | 157.2° | 120.0° |
| O1 | C1 | O2 | HO2 | 0.0° | 0.0° |
| C1 | C2 | C3 | C5 | 118.4° | 120.0° |
| C1 | C2 | C3 | H2 | 120.5° | 120.1° |
| C1 | C2 | C5 | H2 | 120.7° | 120.0° |
| C1 | C2 | C3 | C4 | 61.5° | 174.1° |
| C1 | C2 | C5 | C6 | 179.6° | 67.3° |
| C2 | C1 | O2 | HO2 | 180.0° | 179.7° |
| C1 | C2 | C3 | H3 | 58.4° | 54.1° |
| C1 | C2 | C3 | H3A | 178.4° | 65.8° |
| C1 | C2 | C5 | H5 | 60.4° | 172.7° |
| C1 | C2 | C5 | H5A | 59.6° | 52.7° |
| O2 | C1 | C2 | C3 | 138.3° | 60.3° |
| O2 | C1 | C2 | C5 | 98.6° | 179.7° |
| O2 | C1 | C2 | H2 | 22.8° | 59.7° |
| C3 | C2 | C5 | H2 | 115.5° | 119.9° |
| C2 | C3 | C4 | H3 | 120.0° | 120.0° |
| C2 | C3 | C4 | H3A | 120.0° | 120.0° |
| C3 | C2 | C5 | C6 | 56.6° | 172.7° |
| C2 | C3 | H3 | H3A | 119.1° | 119.9° |
| C2 | C3 | C4 | H4 | 180.0° | 175.9° |
| C2 | C3 | C4 | H4A | 60.0° | 55.9° |
| C2 | C3 | C4 | H4B | 60.0° | 64.2° |
| C3 | C2 | C5 | H5 | 63.3° | 52.7° |
| C3 | C2 | C5 | H5A | 176.6° | 67.3° |
| C5 | C2 | C3 | C4 | 180.0° | 65.9° |
| C2 | C5 | C6 | H5 | 120.0° | 120.0° |
| C2 | C5 | C6 | H5A | 120.0° | 119.9° |
| C2 | C5 | C6 | C7 | 77.5° | 82.2° |
| C2 | C5 | C6 | C11 | 102.6° | 98.1° |
| C5 | C2 | C3 | H3 | 60.0° | 174.1° |
| C5 | C2 | C3 | H3A | 60.0° | 54.2° |
| C2 | C5 | H5 | H5A | 118.1° | 120.0° |
| C4 | C3 | C2 | H2 | 58.9° | 54.1° |
| C4 | C3 | H3 | H3A | 119.2° | 120.1° |
| C3 | C4 | H4 | H4A | 120.0° | 120.1° |
| C3 | C4 | H4 | H4B | 120.0° | 120.0° |
| C3 | C4 | H4A | H4B | 120.0° | 120.1° |
| O3 | C9 | C8 | C7 | 179.9° | 180.0° |
| O3 | C9 | C8 | C10 | 180.0° | 180.0° |
| O3 | C9 | C8 | C15 | 0.2° | 0.0° |
| O3 | C9 | C10 | C11 | 179.9° | 179.7° |
| O3 | C9 | C10 | H10 | 0.1° | 0.0° |
| C9 | O3 | C12 | H12 | 180.0° | 60.0° |
| C9 | O3 | C12 | H12A | 60.0° | 60.0° |
| C9 | O3 | C12 | H12B | 60.0° | 179.9° |
| C12 | O3 | C9 | C8 | 174.6° | 180.0° |
| C12 | O3 | C9 | C10 | 5.4° | 0.0° |
| O3 | C12 | H12 | H12A | 120.0° | 120.0° |
| O3 | C12 | H12 | H12B | 120.0° | 120.0° |
| O3 | C12 | H12A | H12B | 120.0° | 120.0° |
| C5 | C6 | C7 | C11 | 179.9° | 179.7° |
| C5 | C6 | C7 | C8 | 179.8° | 180.0° |
| C5 | C6 | C11 | C10 | 179.8° | 179.7° |
| C6 | C5 | C2 | H2 | 58.9° | 52.8° |
| C6 | C5 | H5 | H5A | 118.1° | 120.0° |
| C5 | C6 | C7 | H7 | 0.2° | 0.0° |
| C5 | C6 | C11 | H11 | 0.2° | 0.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.0° | 0.0° |
| C6 | C7 | C8 | C15 | 179.9° | 180.0° |
| C7 | C6 | C11 | C10 | 0.2° | 0.6° |
| C7 | C6 | C5 | H5 | 162.6° | 37.8° |
| C7 | C6 | C5 | H5A | 42.5° | 157.8° |
| C7 | C6 | C11 | H11 | 179.8° | 179.7° |
| C11 | C6 | C7 | C8 | 0.1° | 0.3° |
| C6 | C11 | C10 | C9 | 0.0° | 0.6° |
| C6 | C11 | C10 | H11 | 180.0° | 179.7° |
| C11 | C6 | C5 | H5 | 17.4° | 141.9° |
| C11 | C6 | C5 | H5A | 137.4° | 21.9° |
| C11 | C6 | C7 | H7 | 179.9° | 179.7° |
| C6 | C11 | C10 | H10 | 180.0° | 179.7° |
| C7 | C8 | C9 | C15 | 179.9° | 180.0° |
| C7 | C8 | C9 | C10 | 0.2° | 0.0° |
| C7 | C8 | C15 | N99 | 114.1° | 105.0° |
| C7 | C8 | C15 | H15 | 125.9° | 135.0° |
| C7 | C8 | C15 | H15A | 5.9° | 15.0° |
| C8 | C9 | C10 | C11 | 0.2° | 0.3° |
| C9 | C8 | C15 | N99 | 65.8° | 75.0° |
| C9 | C8 | C7 | H7 | 180.0° | 180.0° |
| C8 | C9 | C10 | H10 | 179.8° | 180.0° |
| C9 | C8 | C15 | H15 | 54.2° | 45.0° |
| C9 | C8 | C15 | H15A | 174.2° | 165.0° |
| C15 | C8 | C9 | C10 | 179.7° | 180.0° |
| C8 | C15 | N99 | H15 | 120.0° | 119.9° |
| C8 | C15 | N99 | H15A | 120.0° | 120.0° |
| C8 | C15 | N99 | C97 | 175.4° | 180.0° |
| C15 | C8 | C7 | H7 | 0.1° | 0.0° |
| C8 | C15 | H15 | H15A | 119.3° | 120.0° |
| C8 | C15 | N99 | HN99 | 4.6° | 0.1° |
| C9 | C10 | C11 | H10 | 180.0° | 179.7° |
| C9 | C10 | C11 | H11 | 180.0° | 179.7° |
| C15 | N99 | C97 | C87 | 179.1° | 180.0° |
| C15 | N99 | C97 | HN99 | 180.0° | 179.9° |
| C15 | N99 | C97 | O99 | 0.1° | 0.0° |
| N99 | C15 | H15 | H15A | 119.3° | 120.0° |
| C19 | C17 | C87 | C93 | 179.7° | 179.7° |
| C17 | C19 | C96 | C98 | 179.8° | 180.0° |
| C19 | C17 | C87 | C22 | 0.4° | 0.0° |
| C19 | C17 | C87 | C97 | 179.0° | 179.9° |
| C17 | C19 | C96 | C89 | 179.6° | 179.9° |
| C17 | C19 | C98 | C92 | 179.8° | 179.9° |
| C19 | C17 | C93 | C94 | 0.0° | 0.1° |
| C17 | C19 | C96 | C95 | 0.1° | 0.6° |
| C17 | C19 | C98 | C99 | 0.1° | 0.1° |
| C19 | C17 | C93 | H93 | 180.0° | 180.0° |
| C87 | C17 | C19 | C96 | 179.5° | 180.0° |
| C87 | C17 | C19 | C98 | 0.3° | 0.1° |
| C17 | C87 | C22 | C97 | 179.5° | 180.0° |
| C17 | C87 | C22 | C99 | 0.2° | 0.1° |
| C87 | C17 | C93 | C94 | 179.7° | 179.7° |
| C17 | C87 | C97 | N99 | 150.5° | 174.2° |
| C17 | C87 | C97 | O99 | 30.5° | 5.8° |
| C17 | C87 | C22 | H22 | 179.8° | 180.0° |
| C87 | C17 | C93 | H93 | 0.3° | 0.3° |
| C93 | C17 | C19 | C96 | 0.2° | 0.3° |
| C93 | C17 | C19 | C98 | 179.9° | 179.7° |
| C93 | C17 | C87 | C22 | 179.8° | 179.7° |
| C93 | C17 | C87 | C97 | 0.7° | 0.3° |
| C17 | C93 | C94 | H93 | 180.0° | 179.9° |
| C17 | C93 | C94 | C95 | 0.2° | 0.1° |
| C17 | C93 | C94 | H94 | 179.8° | 180.0° |
| C19 | C96 | C95 | C85 | 179.9° | 179.8° |
| C19 | C96 | C89 | C88 | 179.7° | 179.5° |
| C19 | C96 | C89 | C91 | 0.2° | 0.2° |
| C19 | C96 | C89 | C95 | 179.7° | 179.5° |
| C96 | C19 | C98 | C92 | 0.1° | 0.1° |
| C19 | C96 | C95 | C94 | 0.1° | 0.6° |
| C96 | C19 | C98 | C99 | 179.9° | 179.9° |
| C19 | C98 | C99 | C22 | 0.4° | 0.1° |
| C98 | C19 | C96 | C89 | 0.3° | 0.1° |
| C19 | C98 | C92 | C91 | 0.2° | 0.2° |
| C19 | C98 | C92 | C99 | 179.9° | 180.0° |
| C98 | C19 | C96 | C95 | 180.0° | 179.5° |
| C19 | C98 | C92 | H92 | 179.8° | 179.7° |
| C19 | C98 | C99 | H99 | 179.6° | 180.0° |
| C87 | C22 | C99 | H22 | 180.0° | 179.9° |
| C22 | C87 | C97 | N99 | 30.1° | 5.8° |
| C22 | C87 | C97 | O99 | 148.9° | 174.2° |
| C87 | C22 | C99 | C98 | 0.2° | 0.1° |
| C87 | C22 | C99 | H99 | 179.8° | 180.0° |
| C99 | C22 | C87 | C97 | 179.3° | 179.9° |
| C22 | C99 | C98 | C92 | 179.5° | 179.9° |
| C22 | C99 | C98 | H99 | 180.0° | 179.9° |
| C86 | C85 | C95 | H85 | 180.0° | 179.9° |
| C85 | C86 | C88 | H86 | 180.0° | 180.0° |
| C85 | C86 | C88 | C89 | 0.0° | 0.2° |
| C86 | C85 | C95 | C94 | 179.7° | 180.0° |
| C86 | C85 | C95 | C96 | 0.3° | 0.3° |
| C85 | C86 | C88 | H88 | 179.9° | 180.0° |
| C95 | C85 | C86 | C88 | 0.2° | 0.1° |
| C85 | C95 | C96 | C89 | 0.2° | 0.3° |
| C85 | C95 | C94 | C93 | 179.7° | 180.0° |
| C85 | C95 | C94 | C96 | 180.0° | 179.7° |
| C95 | C85 | C86 | H86 | 179.8° | 179.9° |
| C85 | C95 | C94 | H94 | 0.3° | 0.1° |
| C86 | C88 | C89 | H88 | 180.0° | 179.8° |
| C86 | C88 | C89 | C91 | 180.0° | 180.0° |
| C86 | C88 | C89 | C96 | 0.1° | 0.2° |
| C88 | C86 | C85 | H85 | 179.8° | 180.0° |
| C87 | C97 | N99 | O99 | 179.0° | 180.0° |
| C97 | C87 | C22 | H22 | 0.7° | 0.0° |
| C87 | C97 | N99 | HN99 | 0.9° | 0.1° |
| C88 | C89 | C91 | C96 | 179.9° | 179.7° |
| C88 | C89 | C91 | C92 | 180.0° | 179.2° |
| C88 | C89 | C96 | C95 | 0.0° | 0.0° |
| C89 | C88 | C86 | H86 | 180.0° | 179.8° |
| C88 | C89 | C91 | H91 | 0.0° | 0.0° |
| C89 | C91 | C92 | H91 | 180.0° | 179.2° |
| C89 | C91 | C92 | C98 | 0.2° | 0.5° |
| C91 | C89 | C96 | C95 | 179.9° | 179.7° |
| C91 | C89 | C88 | H88 | 0.0° | 0.2° |
| C89 | C91 | C92 | H92 | 179.8° | 179.9° |
| C96 | C89 | C91 | C92 | 0.0° | 0.5° |
| C89 | C96 | C95 | C94 | 179.8° | 179.9° |
| C96 | C89 | C88 | H88 | 179.9° | 180.0° |
| C96 | C89 | C91 | H91 | 179.9° | 179.7° |
| C91 | C92 | C98 | H92 | 180.0° | 179.5° |
| C91 | C92 | C98 | C99 | 179.7° | 179.8° |
| C98 | C92 | C91 | H91 | 179.7° | 179.7° |
| C92 | C98 | C99 | H99 | 0.5° | 0.0° |
| C93 | C94 | C95 | H94 | 180.0° | 179.9° |
| C93 | C94 | C95 | C96 | 0.3° | 0.3° |
| C94 | C95 | C85 | H85 | 0.3° | 0.1° |
| C95 | C94 | C93 | H93 | 179.8° | 180.0° |
| C96 | C95 | C85 | H85 | 179.7° | 179.8° |
| C96 | C95 | C94 | H94 | 179.7° | 179.7° |
| C97 | N99 | C15 | H15 | 64.6° | 60.0° |
| C97 | N99 | C15 | H15A | 55.4° | 60.0° |
| O99 | C97 | N99 | HN99 | 179.9° | 179.9° |
| C98 | C99 | C22 | H22 | 179.8° | 180.0° |
| C99 | C98 | C92 | H92 | 0.3° | 0.2° |
| H2 | C2 | C3 | H3 | 178.9° | 66.0° |
| H2 | C2 | C3 | H3A | 61.1° | 174.1° |
| H2 | C2 | C5 | H5 | 178.9° | 67.2° |
| H2 | C2 | C5 | H5A | 61.1° | 172.8° |
| H3 | C3 | C4 | H4 | 60.0° | 64.1° |
| H3 | C3 | C4 | H4A | 180.0° | 175.9° |
| H3 | C3 | C4 | H4B | 60.0° | 55.8° |
| H3A | C3 | C4 | H4 | 60.0° | 55.9° |
| H3A | C3 | C4 | H4A | 60.0° | 64.1° |
| H3A | C3 | C4 | H4B | 180.0° | 175.8° |
| H4 | C4 | H4A | H4B | 120.0° | 119.9° |
| H10 | C10 | C11 | H11 | 0.0° | 0.0° |
| H12 | C12 | H12A | H12B | 120.0° | 120.0° |
| H15 | C15 | N99 | HN99 | 115.4° | 119.9° |
| H15A | C15 | N99 | HN99 | 124.6° | 120.1° |
| H22 | C22 | C99 | H99 | 0.2° | 0.1° |
| H85 | C85 | C86 | H86 | 0.2° | 0.0° |
| H86 | C86 | C88 | H88 | 0.0° | 0.0° |
| H91 | C91 | C92 | H92 | 0.3° | 0.8° |
| H93 | C93 | C94 | H94 | 0.2° | 0.0° |
