M7S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.41Å | |
| C1 | O2 | sing | 1.34Å | 1.35Å | |
| C2 | C3 | sing | 1.53Å | 1.58Å | |
| C2 | C5 | sing | 1.53Å | 1.57Å | |
| C3 | C4 | sing | 1.51Å | 1.56Å | |
| O3 | C9 | sing | 1.36Å | 1.41Å | |
| O3 | C12 | sing | 1.43Å | 1.44Å | |
| C4 | C51 | doub | 1.38Å | 1.43Å | Aromatic |
| C4 | C55 | sing | 1.38Å | 1.47Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C6 | C7 | doub | 1.38Å | 1.49Å | Aromatic |
| C6 | C11 | sing | 1.38Å | 1.45Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.51Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.46Å | Aromatic |
| C8 | C15 | sing | 1.51Å | 1.47Å | |
| C9 | C10 | sing | 1.39Å | 1.46Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.43Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.48Å | |
| C13 | C14 | sing | 1.53Å | 1.50Å | |
| C15 | N99 | sing | 1.47Å | 1.47Å | |
| C17 | C19 | doub | 1.38Å | 1.47Å | Aromatic |
| C17 | C87 | sing | 1.39Å | 1.48Å | Aromatic |
| C19 | C98 | sing | 1.38Å | 1.49Å | Aromatic |
| C22 | C87 | doub | 1.40Å | 1.47Å | Aromatic |
| C22 | C99 | sing | 1.38Å | 1.46Å | Aromatic |
| C23 | C24 | sing | 1.53Å | 1.59Å | |
| C23 | C25 | sing | 1.53Å | 1.60Å | |
| C23 | C26 | sing | 1.53Å | 1.61Å | |
| C23 | C98 | sing | 1.51Å | 1.58Å | |
| C24 | C27 | sing | 1.53Å | 1.59Å | |
| C25 | C28 | sing | 1.53Å | 1.58Å | |
| C26 | C29 | sing | 1.53Å | 1.58Å | |
| C27 | C30 | sing | 1.53Å | 1.58Å | |
| C27 | C31 | sing | 1.53Å | 1.57Å | |
| C28 | C30 | sing | 1.53Å | 1.58Å | |
| C28 | C32 | sing | 1.53Å | 1.57Å | |
| C29 | C31 | sing | 1.53Å | 1.58Å | |
| C29 | C32 | sing | 1.53Å | 1.58Å | |
| C51 | C52 | sing | 1.38Å | 1.44Å | Aromatic |
| C52 | C53 | doub | 1.38Å | 1.43Å | Aromatic |
| C53 | C54 | sing | 1.38Å | 1.45Å | Aromatic |
| C54 | C55 | doub | 1.38Å | 1.45Å | Aromatic |
| C87 | C97 | sing | 1.48Å | 1.41Å | |
| C97 | N99 | sing | 1.35Å | 1.41Å | |
| C97 | O99 | doub | 1.22Å | 1.26Å | |
| C98 | C99 | doub | 1.38Å | 1.48Å | 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 | |
| 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 | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C51 | H51 | sing | 1.08Å | 1.08Å | |
| C52 | H52 | sing | 1.08Å | 1.08Å | |
| C53 | H53 | sing | 1.08Å | 1.08Å | |
| C54 | H54 | sing | 1.08Å | 1.08Å | |
| C55 | H55 | 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 | 126.4° | 120.1° |
| O1 | C1 | O2 | 121.1° | 120.0° |
| C2 | C1 | O2 | 112.6° | 120.0° |
| C1 | C2 | C3 | 110.9° | 109.4° |
| C1 | C2 | C5 | 105.1° | 109.5° |
| C1 | C2 | H2 | 113.4° | 109.5° |
| C1 | O2 | HO2 | 109.5° | 117.0° |
| C3 | C2 | C5 | 114.7° | 109.5° |
| C2 | C3 | C4 | 117.3° | 109.5° |
| C3 | C2 | H2 | 103.6° | 109.5° |
| C2 | C3 | H3 | 106.9° | 109.5° |
| C2 | C3 | H3A | 106.9° | 109.5° |
| C2 | C5 | C6 | 121.2° | 109.5° |
| C5 | C2 | H2 | 109.5° | 109.5° |
| C2 | C5 | H5 | 105.7° | 109.5° |
| C2 | C5 | H5A | 105.7° | 109.5° |
| C3 | C4 | C51 | 121.7° | 120.0° |
| C3 | C4 | C55 | 120.9° | 120.0° |
| C4 | C3 | H3 | 107.0° | 109.5° |
| C4 | C3 | H3A | 106.9° | 109.4° |
| C9 | O3 | C12 | 112.3° | 117.0° |
| O3 | C9 | C8 | 119.9° | 120.1° |
| O3 | C9 | C10 | 121.5° | 120.0° |
| O3 | C12 | C13 | 111.2° | 109.5° |
| O3 | C12 | H12 | 108.9° | 109.4° |
| O3 | C12 | H12A | 108.9° | 109.5° |
| C51 | C4 | C55 | 117.4° | 120.0° |
| C4 | C51 | C52 | 121.8° | 120.0° |
| C4 | C51 | H51 | 119.1° | 120.0° |
| C4 | C55 | C54 | 121.3° | 120.0° |
| C4 | C55 | H55 | 119.4° | 120.0° |
| C5 | C6 | C7 | 124.5° | 119.9° |
| C5 | C6 | C11 | 116.5° | 120.0° |
| C6 | C5 | H5 | 105.8° | 109.5° |
| C6 | C5 | H5A | 105.8° | 109.4° |
| C7 | C6 | C11 | 119.0° | 120.1° |
| C6 | C7 | C8 | 119.0° | 120.1° |
| C6 | C7 | H7 | 120.5° | 120.0° |
| C6 | C11 | C10 | 120.7° | 120.1° |
| C6 | C11 | H11 | 119.6° | 119.9° |
| C7 | C8 | C9 | 119.8° | 119.9° |
| C7 | C8 | C15 | 121.7° | 120.1° |
| C8 | C7 | H7 | 120.5° | 120.0° |
| C9 | C8 | C15 | 118.5° | 120.0° |
| C8 | C9 | C10 | 118.6° | 119.9° |
| C8 | C15 | N99 | 111.7° | 109.5° |
| C8 | C15 | H15 | 108.7° | 109.4° |
| C8 | C15 | H15A | 108.7° | 109.5° |
| C9 | C10 | C11 | 122.9° | 119.9° |
| C9 | C10 | H10 | 118.6° | 120.0° |
| C11 | C10 | H10 | 118.6° | 120.1° |
| C10 | C11 | H11 | 119.7° | 120.0° |
| C12 | C13 | C14 | 107.1° | 109.5° |
| C13 | C12 | H12 | 108.9° | 109.5° |
| C13 | C12 | H12A | 108.9° | 109.5° |
| C12 | C13 | H13 | 110.3° | 109.5° |
| C12 | C13 | H13A | 110.2° | 109.5° |
| C14 | C13 | H13 | 110.2° | 109.5° |
| C14 | C13 | H13A | 110.3° | 109.5° |
| C13 | C14 | H14 | 109.5° | 109.5° |
| C13 | C14 | H14A | 109.5° | 109.4° |
| C13 | C14 | H14B | 109.5° | 109.5° |
| C15 | N99 | C97 | 122.8° | 120.0° |
| N99 | C15 | H15 | 108.7° | 109.5° |
| N99 | C15 | H15A | 108.7° | 109.5° |
| C15 | N99 | HN99 | 118.6° | 120.0° |
| C19 | C17 | C87 | 119.9° | 119.9° |
| C17 | C19 | C98 | 121.3° | 120.1° |
| C19 | C17 | H17 | 120.0° | 120.0° |
| C17 | C19 | H19 | 119.4° | 120.0° |
| C17 | C87 | C22 | 119.0° | 119.7° |
| C17 | C87 | C97 | 120.3° | 120.2° |
| C87 | C17 | H17 | 120.0° | 120.1° |
| C19 | C98 | C23 | 122.3° | 119.9° |
| C19 | C98 | C99 | 117.7° | 120.3° |
| C98 | C19 | H19 | 119.3° | 119.9° |
| C87 | C22 | C99 | 121.5° | 119.8° |
| C22 | C87 | C97 | 120.8° | 120.1° |
| C87 | C22 | H22 | 119.3° | 120.1° |
| C22 | C99 | C98 | 120.7° | 120.1° |
| C99 | C22 | H22 | 119.3° | 120.1° |
| C22 | C99 | H99 | 119.7° | 120.0° |
| C24 | C23 | C25 | 108.0° | 109.4° |
| C24 | C23 | C26 | 107.8° | 109.5° |
| C24 | C23 | C98 | 110.4° | 109.5° |
| C23 | C24 | C27 | 110.8° | 109.5° |
| C23 | C24 | H24 | 109.0° | 109.5° |
| C23 | C24 | H24A | 109.0° | 109.4° |
| C25 | C23 | C26 | 107.6° | 109.5° |
| C25 | C23 | C98 | 111.0° | 109.5° |
| C23 | C25 | C28 | 111.3° | 109.5° |
| C23 | C25 | H25 | 108.9° | 109.5° |
| C23 | C25 | H25A | 108.9° | 109.5° |
| C26 | C23 | C98 | 111.9° | 109.5° |
| C23 | C26 | C29 | 111.2° | 109.5° |
| C23 | C26 | H26 | 108.9° | 109.5° |
| C23 | C26 | H26A | 108.9° | 109.5° |
| C23 | C98 | C99 | 120.1° | 119.8° |
| C24 | C27 | C30 | 109.5° | 109.5° |
| C24 | C27 | C31 | 109.7° | 109.5° |
| C27 | C24 | H24 | 109.0° | 109.5° |
| C27 | C24 | H24A | 109.0° | 109.5° |
| C24 | C27 | H27 | 109.0° | 109.5° |
| C25 | C28 | C30 | 109.2° | 109.4° |
| C25 | C28 | C32 | 109.5° | 109.5° |
| C28 | C25 | H25 | 108.9° | 109.5° |
| C28 | C25 | H25A | 108.9° | 109.5° |
| C25 | C28 | H28 | 109.6° | 109.5° |
| C26 | C29 | C31 | 108.8° | 109.5° |
| C26 | C29 | C32 | 109.2° | 109.5° |
| C29 | C26 | H26 | 108.9° | 109.4° |
| C29 | C26 | H26A | 108.9° | 109.5° |
| C26 | C29 | H29 | 110.3° | 109.5° |
| C30 | C27 | C31 | 108.8° | 109.5° |
| C27 | C30 | C28 | 110.1° | 109.5° |
| C30 | C27 | H27 | 110.0° | 109.5° |
| C27 | C30 | H30 | 109.3° | 109.5° |
| C27 | C30 | H30A | 109.3° | 109.4° |
| C27 | C31 | C29 | 109.8° | 109.5° |
| C31 | C27 | H27 | 109.8° | 109.4° |
| C27 | C31 | H31 | 109.3° | 109.5° |
| C27 | C31 | H31A | 109.3° | 109.5° |
| C30 | C28 | C32 | 109.3° | 109.5° |
| C30 | C28 | H28 | 109.8° | 109.5° |
| C28 | C30 | H30 | 109.3° | 109.5° |
| C28 | C30 | H30A | 109.3° | 109.5° |
| C28 | C32 | C29 | 109.7° | 109.5° |
| C32 | C28 | H28 | 109.4° | 109.5° |
| C28 | C32 | H32 | 109.4° | 109.4° |
| C28 | C32 | H32A | 109.4° | 109.5° |
| C31 | C29 | C32 | 110.0° | 109.5° |
| C31 | C29 | H29 | 109.5° | 109.5° |
| C29 | C31 | H31 | 109.3° | 109.4° |
| C29 | C31 | H31A | 109.4° | 109.4° |
| C32 | C29 | H29 | 109.1° | 109.4° |
| C29 | C32 | H32 | 109.4° | 109.5° |
| C29 | C32 | H32A | 109.4° | 109.5° |
| C51 | C52 | C53 | 120.8° | 120.0° |
| C52 | C51 | H51 | 119.1° | 120.0° |
| C51 | C52 | H52 | 119.6° | 120.0° |
| C52 | C53 | C54 | 119.5° | 120.0° |
| C53 | C52 | H52 | 119.6° | 120.0° |
| C52 | C53 | H53 | 120.3° | 120.0° |
| C53 | C54 | C55 | 119.2° | 120.0° |
| C54 | C53 | H53 | 120.3° | 120.0° |
| C53 | C54 | H54 | 120.4° | 120.0° |
| C55 | C54 | H54 | 120.4° | 120.0° |
| C54 | C55 | H55 | 119.3° | 120.0° |
| C87 | C97 | N99 | 113.3° | 120.0° |
| C87 | C97 | O99 | 122.1° | 120.0° |
| N99 | C97 | O99 | 124.7° | 120.0° |
| C97 | N99 | HN99 | 118.6° | 120.0° |
| C98 | C99 | H99 | 119.7° | 119.9° |
| H3 | C3 | H3A | 111.9° | 109.5° |
| H5 | C5 | H5A | 113.0° | 109.4° |
| H12 | C12 | H12A | 110.0° | 109.5° |
| H13 | C13 | H13A | 108.7° | 109.4° |
| H14 | C14 | H14A | 109.4° | 109.5° |
| H14 | C14 | H14B | 109.5° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| H15 | C15 | H15A | 110.2° | 109.4° |
| H24 | C24 | H24A | 109.9° | 109.5° |
| H25 | C25 | H25A | 110.1° | 109.4° |
| H26 | C26 | H26A | 110.1° | 109.5° |
| H30 | C30 | H30A | 109.7° | 109.4° |
| H31 | C31 | H31A | 109.6° | 109.5° |
| H32 | C32 | H32A | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O2 | 178.4° | 179.7° |
| O1 | C1 | C2 | C3 | 70.0° | 36.6° |
| O1 | C1 | C2 | C5 | 54.5° | 83.4° |
| O1 | C1 | C2 | H2 | 174.0° | 156.5° |
| O1 | C1 | O2 | HO2 | 0.0° | 0.1° |
| C1 | C2 | C3 | C5 | 118.8° | 120.0° |
| C1 | C2 | C3 | H2 | 122.0° | 120.0° |
| C1 | C2 | C5 | H2 | 122.1° | 120.0° |
| C1 | C2 | C3 | C4 | 60.1° | 174.4° |
| C1 | C2 | C5 | C6 | 177.8° | 65.0° |
| C2 | C1 | O2 | HO2 | 178.6° | 179.8° |
| C1 | C2 | C3 | H3 | 59.9° | 54.4° |
| C1 | C2 | C3 | H3A | 179.9° | 65.6° |
| C1 | C2 | C5 | H5 | 57.8° | 175.0° |
| C1 | C2 | C5 | H5A | 62.2° | 55.0° |
| O2 | C1 | C2 | C3 | 108.5° | 143.8° |
| O2 | C1 | C2 | C5 | 127.1° | 96.2° |
| O2 | C1 | C2 | H2 | 7.6° | 23.8° |
| C3 | C2 | C5 | H2 | 115.9° | 120.0° |
| C2 | C3 | C4 | H3 | 120.0° | 120.0° |
| C2 | C3 | C4 | H3A | 120.0° | 120.0° |
| C2 | C3 | C4 | C51 | 153.3° | 84.5° |
| C2 | C3 | C4 | C55 | 26.0° | 95.8° |
| C3 | C2 | C5 | C6 | 55.8° | 175.0° |
| C2 | C3 | H3 | H3A | 116.8° | 120.1° |
| C3 | C2 | C5 | H5 | 64.2° | 55.0° |
| C3 | C2 | C5 | H5A | 175.8° | 65.0° |
| C5 | C2 | C3 | C4 | 178.9° | 65.6° |
| C2 | C5 | C6 | H5 | 120.0° | 120.1° |
| C2 | C5 | C6 | H5A | 120.0° | 120.0° |
| C2 | C5 | C6 | C7 | 91.8° | 90.0° |
| C2 | C5 | C6 | C11 | 89.1° | 90.3° |
| C5 | C2 | C3 | H3 | 58.9° | 174.4° |
| C5 | C2 | C3 | H3A | 61.1° | 54.4° |
| C2 | C5 | H5 | H5A | 115.1° | 120.0° |
| C3 | C4 | C51 | C55 | 179.4° | 179.7° |
| C3 | C4 | C51 | C52 | 179.4° | 180.0° |
| C3 | C4 | C55 | C54 | 179.3° | 179.8° |
| C4 | C3 | C2 | H2 | 61.8° | 54.4° |
| C4 | C3 | H3 | H3A | 116.8° | 119.9° |
| C3 | C4 | C51 | H51 | 0.6° | 0.0° |
| C3 | C4 | C55 | H55 | 0.7° | 0.0° |
| O3 | C9 | C8 | C7 | 180.0° | 180.0° |
| O3 | C9 | C8 | C10 | 179.9° | 180.0° |
| O3 | C9 | C8 | C15 | 0.0° | 0.1° |
| O3 | C9 | C10 | C11 | 179.9° | 179.7° |
| C9 | O3 | C12 | C13 | 179.7° | 180.0° |
| O3 | C9 | C10 | H10 | 0.1° | 0.0° |
| C9 | O3 | C12 | H12 | 59.7° | 60.0° |
| C9 | O3 | C12 | H12A | 60.3° | 60.0° |
| C12 | O3 | C9 | C8 | 138.7° | 180.0° |
| C12 | O3 | C9 | C10 | 41.2° | 0.0° |
| O3 | C12 | C13 | H12 | 120.0° | 120.0° |
| O3 | C12 | C13 | H12A | 120.0° | 120.0° |
| O3 | C12 | C13 | C14 | 134.2° | 180.0° |
| O3 | C12 | H12 | H12A | 119.3° | 120.0° |
| O3 | C12 | C13 | H13 | 105.8° | 60.0° |
| O3 | C12 | C13 | H13A | 14.2° | 59.9° |
| C4 | C51 | C52 | H51 | 180.0° | 180.0° |
| C4 | C51 | C52 | C53 | 0.1° | 0.0° |
| C51 | C4 | C55 | C54 | 0.1° | 0.5° |
| C51 | C4 | C3 | H3 | 33.4° | 35.5° |
| C51 | C4 | C3 | H3A | 86.7° | 155.5° |
| C4 | C51 | C52 | H52 | 179.9° | 179.9° |
| C51 | C4 | C55 | H55 | 179.9° | 179.7° |
| C55 | C4 | C51 | C52 | 0.0° | 0.3° |
| C4 | C55 | C54 | C53 | 0.0° | 0.4° |
| C4 | C55 | C54 | H55 | 180.0° | 179.8° |
| C55 | C4 | C3 | H3 | 146.0° | 144.2° |
| C55 | C4 | C3 | H3A | 93.9° | 24.2° |
| C55 | C4 | C51 | H51 | 180.0° | 179.7° |
| C4 | C55 | C54 | H54 | 180.0° | 179.7° |
| C5 | C6 | C7 | C11 | 179.0° | 179.7° |
| C5 | C6 | C7 | C8 | 179.2° | 180.0° |
| C5 | C6 | C11 | C10 | 179.3° | 179.7° |
| C6 | C5 | C2 | H2 | 60.1° | 55.1° |
| C6 | C5 | H5 | H5A | 115.2° | 119.9° |
| C5 | C6 | C7 | H7 | 0.8° | 0.0° |
| C5 | C6 | C11 | H11 | 0.7° | 0.1° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.1° | 0.0° |
| C6 | C7 | C8 | C15 | 179.9° | 179.9° |
| C7 | C6 | C11 | C10 | 0.2° | 0.6° |
| C7 | C6 | C5 | H5 | 148.2° | 30.0° |
| C7 | C6 | C5 | H5A | 28.1° | 150.0° |
| C7 | C6 | C11 | H11 | 179.8° | 179.8° |
| C11 | C6 | C7 | C8 | 0.1° | 0.3° |
| C6 | C11 | C10 | C9 | 0.2° | 0.6° |
| C6 | C11 | C10 | H11 | 180.0° | 179.6° |
| C11 | C6 | C5 | H5 | 30.9° | 149.6° |
| C11 | C6 | C5 | H5A | 150.9° | 29.7° |
| C11 | C6 | C7 | H7 | 179.9° | 179.7° |
| C6 | C11 | C10 | H10 | 179.8° | 179.7° |
| C7 | C8 | C9 | C15 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.2° | 0.1° |
| C7 | C8 | C15 | N99 | 121.0° | 99.9° |
| C7 | C8 | C15 | H15 | 119.0° | 20.1° |
| C7 | C8 | C15 | H15A | 1.0° | 140.0° |
| C8 | C9 | C10 | C11 | 0.2° | 0.3° |
| C9 | C8 | C15 | N99 | 59.1° | 80.0° |
| C9 | C8 | C7 | H7 | 179.9° | 179.9° |
| C8 | C9 | C10 | H10 | 179.8° | 180.0° |
| C9 | C8 | C15 | H15 | 61.0° | 160.0° |
| C9 | C8 | C15 | H15A | 179.1° | 40.1° |
| C15 | C8 | C9 | C10 | 179.9° | 180.0° |
| C8 | C15 | N99 | H15 | 120.0° | 120.0° |
| C8 | C15 | N99 | H15A | 120.0° | 120.1° |
| C8 | C15 | N99 | C97 | 167.5° | 180.0° |
| C15 | C8 | C7 | H7 | 0.1° | 0.0° |
| C8 | C15 | H15 | H15A | 119.1° | 119.9° |
| C8 | C15 | N99 | HN99 | 12.5° | 0.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.7° |
| C9 | C10 | C11 | H11 | 179.7° | 179.8° |
| C12 | C13 | C14 | H13 | 120.0° | 120.0° |
| C12 | C13 | C14 | H13A | 120.0° | 120.1° |
| C13 | C12 | H12 | H12A | 119.3° | 120.0° |
| C12 | C13 | H13 | H13A | 121.0° | 120.0° |
| C12 | C13 | C14 | H14 | 180.0° | 180.0° |
| C12 | C13 | C14 | H14A | 60.0° | 60.0° |
| C12 | C13 | C14 | H14B | 60.0° | 59.9° |
| C14 | C13 | C12 | H12 | 14.2° | 60.0° |
| C14 | C13 | C12 | H12A | 105.8° | 60.0° |
| C14 | C13 | H13 | H13A | 121.0° | 120.0° |
| C13 | C14 | H14 | H14A | 120.0° | 120.0° |
| C13 | C14 | H14 | H14B | 120.0° | 120.0° |
| C13 | C14 | H14A | H14B | 120.0° | 119.9° |
| C15 | N99 | C97 | C87 | 179.9° | 180.0° |
| C15 | N99 | C97 | HN99 | 180.0° | 180.0° |
| C15 | N99 | C97 | O99 | 0.1° | 0.1° |
| N99 | C15 | H15 | H15A | 119.1° | 120.0° |
| C19 | C17 | C87 | H17 | 180.0° | 179.7° |
| C17 | C19 | C98 | H19 | 180.0° | 179.9° |
| C19 | C17 | C87 | C22 | 0.0° | 0.0° |
| C17 | C19 | C98 | C23 | 179.8° | 180.0° |
| C19 | C17 | C87 | C97 | 179.7° | 179.9° |
| C17 | C19 | C98 | C99 | 0.1° | 0.1° |
| C87 | C17 | C19 | C98 | 0.1° | 0.0° |
| C17 | C87 | C22 | C97 | 179.7° | 179.9° |
| C17 | C87 | C22 | C99 | 0.1° | 0.1° |
| C17 | C87 | C97 | N99 | 153.2° | 180.0° |
| C17 | C87 | C97 | O99 | 26.9° | 0.1° |
| C87 | C17 | C19 | H19 | 179.9° | 179.9° |
| C17 | C87 | C22 | H22 | 179.9° | 180.0° |
| C19 | C98 | C99 | C22 | 0.0° | 0.0° |
| C19 | C98 | C23 | C24 | 119.6° | 180.0° |
| C19 | C98 | C23 | C25 | 120.7° | 60.0° |
| C19 | C98 | C23 | C26 | 0.5° | 60.0° |
| C19 | C98 | C23 | C99 | 179.9° | 180.0° |
| C98 | C19 | C17 | H17 | 179.9° | 179.8° |
| C19 | C98 | C99 | H99 | 180.0° | 180.0° |
| C87 | C22 | C99 | H22 | 180.0° | 180.0° |
| C22 | C87 | C97 | N99 | 27.0° | 0.1° |
| C22 | C87 | C97 | O99 | 152.8° | 180.0° |
| C87 | C22 | C99 | C98 | 0.1° | 0.0° |
| C22 | C87 | C17 | H17 | 180.0° | 179.7° |
| C87 | C22 | C99 | H99 | 179.9° | 180.0° |
| C22 | C99 | C98 | C23 | 179.9° | 180.0° |
| C99 | C22 | C87 | C97 | 179.6° | 180.0° |
| C22 | C99 | C98 | H99 | 180.0° | 180.0° |
| C24 | C23 | C25 | C26 | 116.2° | 120.0° |
| C24 | C23 | C25 | C98 | 121.2° | 120.0° |
| C24 | C23 | C26 | C98 | 121.6° | 120.1° |
| C23 | C24 | C27 | H24 | 120.0° | 120.0° |
| C23 | C24 | C27 | H24A | 120.0° | 119.9° |
| C24 | C23 | C25 | C28 | 58.7° | 60.0° |
| C24 | C23 | C26 | C29 | 58.6° | 59.9° |
| C23 | C24 | C27 | C30 | 59.7° | 60.0° |
| C23 | C24 | C27 | C31 | 59.7° | 60.0° |
| C24 | C23 | C98 | C99 | 60.3° | 0.0° |
| C23 | C24 | H24 | H24A | 119.5° | 119.9° |
| C24 | C23 | C25 | H25 | 178.7° | 180.0° |
| C24 | C23 | C25 | H25A | 61.3° | 60.1° |
| C24 | C23 | C26 | H26 | 61.4° | 60.0° |
| C24 | C23 | C26 | H26A | 178.6° | 180.0° |
| C23 | C24 | C27 | H27 | 180.0° | 180.0° |
| C25 | C23 | C26 | C98 | 122.1° | 120.0° |
| C25 | C23 | C24 | C27 | 58.4° | 60.0° |
| C23 | C25 | C28 | H25 | 120.0° | 120.0° |
| C23 | C25 | C28 | H25A | 120.0° | 120.0° |
| C25 | C23 | C26 | C29 | 57.7° | 60.0° |
| C23 | C25 | C28 | C30 | 59.6° | 60.0° |
| C23 | C25 | C28 | C32 | 60.1° | 60.0° |
| C25 | C23 | C98 | C99 | 59.4° | 120.0° |
| C25 | C23 | C24 | H24 | 61.6° | 60.1° |
| C25 | C23 | C24 | H24A | 178.4° | 180.0° |
| C23 | C25 | H25 | H25A | 119.3° | 120.0° |
| C25 | C23 | C26 | H26 | 177.7° | 180.0° |
| C25 | C23 | C26 | H26A | 62.3° | 60.0° |
| C23 | C25 | C28 | H28 | 179.9° | 180.0° |
| C26 | C23 | C24 | C27 | 57.6° | 60.0° |
| C26 | C23 | C25 | C28 | 57.5° | 60.0° |
| C23 | C26 | C29 | H26 | 120.0° | 120.0° |
| C23 | C26 | C29 | H26A | 120.0° | 120.0° |
| C23 | C26 | C29 | C31 | 60.2° | 60.0° |
| C23 | C26 | C29 | C32 | 59.8° | 60.0° |
| C26 | C23 | C98 | C99 | 179.6° | 120.0° |
| C26 | C23 | C24 | H24 | 177.6° | 180.0° |
| C26 | C23 | C24 | H24A | 62.3° | 60.0° |
| C26 | C23 | C25 | H25 | 62.5° | 60.0° |
| C26 | C23 | C25 | H25A | 177.5° | 179.9° |
| C23 | C26 | H26 | H26A | 119.3° | 120.0° |
| C23 | C26 | C29 | H29 | 179.7° | 180.0° |
| C98 | C23 | C24 | C27 | 179.9° | 180.0° |
| C98 | C23 | C25 | C28 | 179.8° | 180.0° |
| C98 | C23 | C26 | C29 | 179.8° | 180.0° |
| C23 | C98 | C19 | H19 | 0.2° | 0.1° |
| C98 | C23 | C24 | H24 | 59.9° | 59.9° |
| C98 | C23 | C24 | H24A | 60.2° | 60.0° |
| C98 | C23 | C25 | H25 | 60.2° | 60.0° |
| C98 | C23 | C25 | H25A | 59.9° | 60.0° |
| C98 | C23 | C26 | H26 | 60.2° | 60.0° |
| C98 | C23 | C26 | H26A | 59.8° | 60.0° |
| C23 | C98 | C99 | H99 | 0.1° | 0.0° |
| C24 | C27 | C30 | C31 | 119.9° | 120.0° |
| C24 | C27 | C30 | H27 | 119.8° | 120.0° |
| C24 | C27 | C31 | H27 | 119.8° | 120.0° |
| C24 | C27 | C30 | C28 | 59.5° | 60.1° |
| C24 | C27 | C31 | C29 | 60.3° | 60.0° |
| C27 | C24 | H24 | H24A | 119.4° | 120.1° |
| C24 | C27 | C30 | H30 | 60.5° | 60.0° |
| C24 | C27 | C30 | H30A | 179.5° | 180.0° |
| C24 | C27 | C31 | H31 | 179.8° | 180.0° |
| C24 | C27 | C31 | H31A | 59.7° | 59.9° |
| C25 | C28 | C30 | C27 | 59.3° | 60.0° |
| C25 | C28 | C30 | C32 | 119.8° | 120.0° |
| C25 | C28 | C30 | H28 | 120.2° | 120.0° |
| C25 | C28 | C32 | H28 | 120.2° | 120.0° |
| C25 | C28 | C32 | C29 | 60.4° | 60.0° |
| C28 | C25 | H25 | H25A | 119.3° | 120.0° |
| C25 | C28 | C30 | H30 | 60.7° | 60.0° |
| C25 | C28 | C30 | H30A | 179.3° | 180.0° |
| C25 | C28 | C32 | H32 | 59.6° | 60.0° |
| C25 | C28 | C32 | H32A | 179.6° | 180.0° |
| C26 | C29 | C31 | C27 | 60.4° | 60.0° |
| C26 | C29 | C32 | C28 | 60.4° | 60.0° |
| C26 | C29 | C31 | C32 | 119.5° | 120.0° |
| C26 | C29 | C31 | H29 | 120.6° | 120.0° |
| C26 | C29 | C32 | H29 | 120.6° | 120.0° |
| C29 | C26 | H26 | H26A | 119.3° | 120.0° |
| C26 | C29 | C31 | H31 | 179.7° | 180.0° |
| C26 | C29 | C31 | H31A | 59.6° | 60.0° |
| C26 | C29 | C32 | H32 | 59.6° | 60.0° |
| C26 | C29 | C32 | H32A | 179.6° | 180.0° |
| C30 | C27 | C31 | H27 | 120.4° | 120.0° |
| C27 | C30 | C28 | H30 | 120.0° | 120.1° |
| C27 | C30 | C28 | H30A | 120.0° | 119.9° |
| C27 | C30 | C28 | C32 | 60.5° | 60.0° |
| C30 | C27 | C31 | C29 | 59.5° | 60.0° |
| C30 | C27 | C24 | H24 | 60.3° | 60.0° |
| C30 | C27 | C24 | H24A | 179.6° | 180.0° |
| C27 | C30 | C28 | H28 | 179.4° | 180.0° |
| C27 | C30 | H30 | H30A | 119.8° | 119.9° |
| C30 | C27 | C31 | H31 | 60.4° | 60.0° |
| C30 | C27 | C31 | H31A | 179.5° | 180.0° |
| C31 | C27 | C30 | C28 | 60.4° | 60.0° |
| C27 | C31 | C29 | H31 | 120.0° | 120.0° |
| C27 | C31 | C29 | H31A | 120.0° | 120.1° |
| C27 | C31 | C29 | C32 | 59.2° | 60.0° |
| C31 | C27 | C24 | H24 | 179.7° | 180.0° |
| C31 | C27 | C24 | H24A | 60.3° | 59.9° |
| C27 | C31 | C29 | H29 | 179.0° | 179.9° |
| C31 | C27 | C30 | H30 | 179.6° | 180.0° |
| C31 | C27 | C30 | H30A | 59.6° | 60.0° |
| C27 | C31 | H31 | H31A | 119.8° | 120.1° |
| C30 | C28 | C32 | H28 | 120.3° | 120.0° |
| C30 | C28 | C32 | C29 | 59.2° | 60.0° |
| C30 | C28 | C25 | H25 | 179.6° | 180.0° |
| C30 | C28 | C25 | H25A | 60.4° | 60.0° |
| C28 | C30 | C27 | H27 | 179.3° | 180.0° |
| C28 | C30 | H30 | H30A | 119.7° | 120.0° |
| C30 | C28 | C32 | H32 | 179.2° | 180.0° |
| C30 | C28 | C32 | H32A | 60.8° | 60.0° |
| C28 | C32 | C29 | C31 | 58.9° | 60.0° |
| C28 | C32 | C29 | H32 | 120.0° | 120.0° |
| C28 | C32 | C29 | H32A | 120.0° | 120.0° |
| C32 | C28 | C25 | H25 | 59.9° | 60.0° |
| C32 | C28 | C25 | H25A | 179.9° | 180.0° |
| C28 | C32 | C29 | H29 | 179.0° | 180.0° |
| C32 | C28 | C30 | H30 | 179.5° | 180.0° |
| C32 | C28 | C30 | H30A | 59.5° | 60.0° |
| C28 | C32 | H32 | H32A | 119.9° | 120.0° |
| C31 | C29 | C32 | H29 | 120.1° | 120.0° |
| C31 | C29 | C26 | H26 | 59.8° | 60.0° |
| C31 | C29 | C26 | H26A | 179.8° | 180.0° |
| C29 | C31 | C27 | H27 | 179.9° | 180.0° |
| C29 | C31 | H31 | H31A | 119.9° | 119.9° |
| C31 | C29 | C32 | H32 | 178.9° | 180.0° |
| C31 | C29 | C32 | H32A | 61.1° | 60.0° |
| C32 | C29 | C26 | H26 | 179.8° | 180.0° |
| C32 | C29 | C26 | H26A | 60.2° | 60.0° |
| C29 | C32 | C28 | H28 | 179.4° | 180.0° |
| C32 | C29 | C31 | H31 | 60.8° | 60.0° |
| C32 | C29 | C31 | H31A | 179.2° | 180.0° |
| C29 | C32 | H32 | H32A | 119.9° | 120.0° |
| C51 | C52 | C53 | H52 | 180.0° | 179.9° |
| C51 | C52 | C53 | C54 | 0.2° | 0.1° |
| C51 | C52 | C53 | H53 | 179.8° | 180.0° |
| C52 | C53 | C54 | H53 | 180.0° | 179.9° |
| C52 | C53 | C54 | C55 | 0.1° | 0.1° |
| C53 | C52 | C51 | H51 | 179.9° | 180.0° |
| C52 | C53 | C54 | H54 | 179.9° | 180.0° |
| C53 | C54 | C55 | H54 | 180.0° | 179.9° |
| C54 | C53 | C52 | H52 | 179.8° | 180.0° |
| C53 | C54 | C55 | H55 | 180.0° | 179.8° |
| C55 | C54 | C53 | H53 | 179.9° | 179.8° |
| C87 | C97 | N99 | O99 | 179.8° | 179.9° |
| C97 | C87 | C17 | H17 | 0.3° | 0.2° |
| C97 | C87 | C22 | H22 | 0.4° | 0.1° |
| C87 | C97 | N99 | HN99 | 0.1° | 0.0° |
| C97 | N99 | C15 | H15 | 47.4° | 60.1° |
| C97 | N99 | C15 | H15A | 72.5° | 59.9° |
| O99 | C97 | N99 | HN99 | 180.0° | 180.0° |
| C99 | C98 | C19 | H19 | 179.9° | 180.0° |
| C98 | C99 | C22 | H22 | 179.9° | 180.0° |
| H2 | C2 | C3 | H3 | 178.2° | 65.6° |
| H2 | C2 | C3 | H3A | 58.1° | 174.3° |
| H2 | C2 | C5 | H5 | 179.9° | 65.0° |
| H2 | C2 | C5 | H5A | 59.9° | 175.0° |
| H10 | C10 | C11 | H11 | 0.3° | 0.1° |
| H12 | C12 | C13 | H13 | 134.1° | 179.9° |
| H12 | C12 | C13 | H13A | 105.8° | 60.0° |
| H12A | C12 | C13 | H13 | 14.2° | 60.0° |
| H12A | C12 | C13 | H13A | 134.2° | 179.9° |
| H13 | C13 | C14 | H14 | 60.0° | 60.0° |
| H13 | C13 | C14 | H14A | 180.0° | 180.0° |
| H13 | C13 | C14 | H14B | 60.0° | 60.1° |
| H13A | C13 | C14 | H14 | 60.0° | 59.9° |
| H13A | C13 | C14 | H14A | 60.0° | 60.1° |
| H13A | C13 | C14 | H14B | 180.0° | 180.0° |
| H14 | C14 | H14A | H14B | 120.0° | 120.1° |
| H15 | C15 | N99 | HN99 | 132.6° | 120.0° |
| H15A | C15 | N99 | HN99 | 107.5° | 120.1° |
| H17 | C17 | C19 | H19 | 0.1° | 0.3° |
| H22 | C22 | C99 | H99 | 0.1° | 0.0° |
| H24 | C24 | C27 | H27 | 60.0° | 60.0° |
| H24A | C24 | C27 | H27 | 60.0° | 60.0° |
| H25 | C25 | C28 | H28 | 60.1° | 60.0° |
| H25A | C25 | C28 | H28 | 59.9° | 60.0° |
| H26 | C26 | C29 | H29 | 60.3° | 60.1° |
| H26A | C26 | C29 | H29 | 59.7° | 60.0° |
| H27 | C27 | C30 | H30 | 59.3° | 60.0° |
| H27 | C27 | C30 | H30A | 60.7° | 60.0° |
| H27 | C27 | C31 | H31 | 59.9° | 60.0° |
| H27 | C27 | C31 | H31A | 60.1° | 60.0° |
| H28 | C28 | C30 | H30 | 59.4° | 60.0° |
| H28 | C28 | C30 | H30A | 60.6° | 60.1° |
| H28 | C28 | C32 | H32 | 60.5° | 60.0° |
| H28 | C28 | C32 | H32A | 59.5° | 60.0° |
| H29 | C29 | C31 | H31 | 59.1° | 59.9° |
| H29 | C29 | C31 | H31A | 61.0° | 60.0° |
| H29 | C29 | C32 | H32 | 61.0° | 60.0° |
| H29 | C29 | C32 | H32A | 59.0° | 60.0° |
| H51 | C51 | C52 | H52 | 0.1° | 0.1° |
| H52 | C52 | C53 | H53 | 0.2° | 0.1° |
| H53 | C53 | C54 | H54 | 0.1° | 0.1° |
| H54 | C54 | C55 | H55 | 0.0° | 0.1° |
