687
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O76 | C75 | doub | 1.21Å | 1.37Å | |
| C1 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | doub | 1.39Å | 1.42Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | doub | 1.39Å | 1.43Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | O30 | sing | 1.36Å | 1.43Å | |
| C4 | C5 | doub | 1.40Å | 1.42Å | Aromatic |
| C4 | C75 | sing | 1.47Å | 1.44Å | |
| C5 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C11 | sing | 1.51Å | 1.52Å | |
| P7 | O8 | doub | 1.48Å | 1.53Å | |
| P7 | O9 | sing | 1.61Å | 1.60Å | |
| P7 | O10 | sing | 1.61Å | 1.48Å | |
| P7 | O30 | sing | 1.61Å | 1.64Å | |
| O9 | H9 | sing | 0.97Å | 0.95Å | |
| O10 | H10 | sing | 0.97Å | 0.95Å | |
| C11 | C12 | sing | 1.53Å | 1.50Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C12 | N15 | sing | 1.46Å | 1.45Å | |
| C12 | H12 | sing | 1.09Å | 1.12Å | |
| C13 | N14 | sing | 1.35Å | 1.36Å | |
| C13 | O19 | doub | 1.21Å | 1.24Å | |
| N14 | C20 | sing | 1.47Å | 1.43Å | |
| N14 | H14 | sing | 0.97Å | 1.02Å | |
| N15 | C16 | sing | 1.35Å | 1.32Å | |
| N15 | H15 | sing | 0.97Å | 1.02Å | |
| C16 | C17 | sing | 1.51Å | 1.56Å | |
| C16 | O18 | doub | 1.21Å | 1.23Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C17 | H172 | sing | 1.09Å | 1.11Å | |
| C17 | H173 | sing | 1.09Å | 1.12Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | C26 | sing | 1.51Å | 1.58Å | |
| C20 | H20 | sing | 1.09Å | 1.11Å | |
| C21 | C22 | sing | 1.52Å | 1.53Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| C22 | C23 | sing | 1.52Å | 1.52Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C24 | N25 | sing | 1.47Å | 1.48Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| N25 | C26 | sing | 1.34Å | 1.39Å | |
| N25 | C27 | sing | 1.46Å | 1.49Å | |
| C26 | O29 | doub | 1.21Å | 1.26Å | |
| C27 | C28 | sing | 1.51Å | 1.51Å | |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C27 | H272 | sing | 1.09Å | 1.11Å | |
| C28 | C53 | sing | 1.38Å | 1.43Å | Aromatic |
| C28 | C57 | doub | 1.38Å | 1.43Å | Aromatic |
| C53 | C54 | doub | 1.38Å | 1.42Å | Aromatic |
| C53 | H53 | sing | 1.08Å | 1.10Å | |
| C54 | C55 | sing | 1.39Å | 1.42Å | Aromatic |
| C54 | H54 | sing | 1.08Å | 1.10Å | |
| C55 | C56 | doub | 1.39Å | 1.41Å | Aromatic |
| C55 | C62 | sing | 1.48Å | 1.47Å | Aromatic |
| C56 | C57 | sing | 1.38Å | 1.42Å | Aromatic |
| C56 | H56 | sing | 1.08Å | 1.10Å | |
| C57 | H57 | sing | 1.08Å | 1.10Å | |
| C62 | C63 | sing | 1.39Å | 1.45Å | Aromatic |
| C62 | C67 | doub | 1.39Å | 1.42Å | Aromatic |
| C63 | C64 | doub | 1.38Å | 1.43Å | Aromatic |
| C63 | H63 | sing | 1.08Å | 1.10Å | |
| C64 | C65 | sing | 1.38Å | 1.43Å | Aromatic |
| C64 | H64 | sing | 1.08Å | 1.10Å | |
| C65 | C66 | doub | 1.38Å | 1.41Å | Aromatic |
| C65 | H65 | sing | 1.08Å | 1.10Å | |
| C66 | C67 | sing | 1.38Å | 1.44Å | Aromatic |
| C66 | H66 | sing | 1.08Å | 1.10Å | |
| C67 | H67 | sing | 1.08Å | 1.10Å | |
| C75 | H75 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O76 | C75 | C4 | 117.2° | 120.0° |
| O76 | C75 | H75 | 119.0° | 120.0° |
| C2 | C1 | C6 | 119.5° | 120.5° |
| C2 | C1 | H1 | 119.4° | 119.8° |
| C1 | C2 | C3 | 120.4° | 120.1° |
| C1 | C2 | H2 | 118.5° | 119.9° |
| C6 | C1 | H1 | 121.0° | 119.7° |
| C1 | C6 | C5 | 120.1° | 120.3° |
| C1 | C6 | C11 | 118.1° | 119.9° |
| C3 | C2 | H2 | 121.0° | 120.0° |
| C2 | C3 | C4 | 119.5° | 119.7° |
| C2 | C3 | O30 | 117.8° | 120.1° |
| C4 | C3 | O30 | 122.7° | 120.2° |
| C3 | C4 | C5 | 119.4° | 119.6° |
| C3 | C4 | C75 | 120.8° | 120.2° |
| C3 | O30 | P7 | 112.6° | 106.8° |
| C5 | C4 | C75 | 115.7° | 120.2° |
| C4 | C5 | C6 | 120.4° | 119.9° |
| C4 | C5 | H5 | 120.2° | 120.0° |
| C4 | C75 | H75 | 123.9° | 120.0° |
| C6 | C5 | H5 | 119.3° | 120.1° |
| C5 | C6 | C11 | 121.8° | 119.8° |
| C6 | C11 | C12 | 111.9° | 109.5° |
| C6 | C11 | H111 | 111.3° | 109.5° |
| C6 | C11 | H112 | 111.3° | 109.5° |
| O8 | P7 | O9 | 107.4° | 109.5° |
| O8 | P7 | O10 | 114.9° | 109.5° |
| O8 | P7 | O30 | 102.4° | 109.4° |
| O9 | P7 | O10 | 108.7° | 109.5° |
| O9 | P7 | O30 | 109.9° | 109.5° |
| P7 | O9 | H9 | 107.4° | 106.9° |
| O10 | P7 | O30 | 113.2° | 109.5° |
| P7 | O10 | H10 | 114.9° | 106.8° |
| C12 | C11 | H111 | 111.3° | 109.4° |
| C12 | C11 | H112 | 111.4° | 109.4° |
| C11 | C12 | C13 | 111.4° | 109.5° |
| C11 | C12 | N15 | 107.3° | 109.5° |
| C11 | C12 | H12 | 109.7° | 109.5° |
| H111 | C11 | H112 | 99.0° | 109.5° |
| C13 | C12 | N15 | 109.4° | 109.5° |
| C13 | C12 | H12 | 107.5° | 109.4° |
| C12 | C13 | N14 | 114.4° | 120.0° |
| C12 | C13 | O19 | 120.5° | 119.9° |
| N15 | C12 | H12 | 111.6° | 109.5° |
| C12 | N15 | C16 | 117.6° | 120.0° |
| C12 | N15 | H15 | 125.4° | 120.0° |
| N14 | C13 | O19 | 125.1° | 120.0° |
| C13 | N14 | C20 | 121.2° | 120.0° |
| C13 | N14 | H14 | 117.0° | 120.0° |
| C20 | N14 | H14 | 121.8° | 120.0° |
| N14 | C20 | C21 | 107.3° | 109.6° |
| N14 | C20 | C26 | 107.3° | 109.6° |
| N14 | C20 | H20 | 113.5° | 109.6° |
| C16 | N15 | H15 | 117.0° | 120.0° |
| N15 | C16 | C17 | 111.4° | 120.0° |
| N15 | C16 | O18 | 124.7° | 119.9° |
| C17 | C16 | O18 | 123.9° | 120.0° |
| C16 | C17 | H171 | 111.4° | 109.5° |
| C16 | C17 | H172 | 111.5° | 109.4° |
| C16 | C17 | H173 | 111.4° | 109.5° |
| H171 | C17 | H172 | 111.6° | 109.5° |
| H171 | C17 | H173 | 111.5° | 109.4° |
| H172 | C17 | H173 | 98.9° | 109.4° |
| C21 | C20 | C26 | 112.8° | 108.7° |
| C21 | C20 | H20 | 108.0° | 109.6° |
| C20 | C21 | C22 | 115.0° | 110.7° |
| C20 | C21 | H211 | 110.2° | 109.2° |
| C20 | C21 | H212 | 110.2° | 109.2° |
| C26 | C20 | H20 | 108.0° | 109.7° |
| C20 | C26 | N25 | 115.5° | 120.0° |
| C20 | C26 | O29 | 121.2° | 120.1° |
| C22 | C21 | H211 | 110.2° | 109.2° |
| C22 | C21 | H212 | 110.2° | 109.3° |
| C21 | C22 | C23 | 123.7° | 113.8° |
| C21 | C22 | H221 | 107.2° | 108.6° |
| C21 | C22 | H222 | 107.2° | 108.6° |
| H211 | C21 | H212 | 100.0° | 109.2° |
| C23 | C22 | H221 | 107.2° | 108.6° |
| C23 | C22 | H222 | 107.2° | 108.6° |
| C22 | C23 | C24 | 106.3° | 110.9° |
| C22 | C23 | H231 | 113.4° | 109.2° |
| C22 | C23 | H232 | 113.4° | 109.2° |
| H221 | C22 | H222 | 102.5° | 108.5° |
| C24 | C23 | H231 | 113.5° | 109.3° |
| C24 | C23 | H232 | 113.4° | 109.2° |
| C23 | C24 | N25 | 114.9° | 108.7° |
| C23 | C24 | H241 | 110.2° | 109.6° |
| C23 | C24 | H242 | 110.2° | 109.6° |
| H231 | C23 | H232 | 97.0° | 109.1° |
| N25 | C24 | H241 | 110.2° | 109.7° |
| N25 | C24 | H242 | 110.2° | 109.6° |
| C24 | N25 | C26 | 127.1° | 120.5° |
| C24 | N25 | C27 | 117.2° | 119.8° |
| H241 | C24 | H242 | 100.1° | 109.7° |
| C26 | N25 | C27 | 114.6° | 119.7° |
| N25 | C26 | O29 | 123.2° | 119.9° |
| N25 | C27 | C28 | 108.8° | 109.5° |
| N25 | C27 | H271 | 112.4° | 109.5° |
| N25 | C27 | H272 | 112.5° | 109.5° |
| C28 | C27 | H271 | 112.4° | 109.5° |
| C28 | C27 | H272 | 112.5° | 109.5° |
| C27 | C28 | C53 | 120.7° | 119.9° |
| C27 | C28 | C57 | 117.2° | 119.9° |
| H271 | C27 | H272 | 98.0° | 109.5° |
| C53 | C28 | C57 | 122.0° | 120.2° |
| C28 | C53 | C54 | 119.5° | 120.2° |
| C28 | C53 | H53 | 120.6° | 119.9° |
| C28 | C57 | C56 | 116.7° | 120.2° |
| C28 | C57 | H57 | 122.2° | 120.0° |
| C54 | C53 | H53 | 119.9° | 119.9° |
| C53 | C54 | C55 | 118.7° | 119.8° |
| C53 | C54 | H54 | 120.7° | 120.1° |
| C55 | C54 | H54 | 120.6° | 120.1° |
| C54 | C55 | C56 | 121.1° | 119.8° |
| C54 | C55 | C62 | 120.2° | 120.1° |
| C56 | C55 | C62 | 118.6° | 120.1° |
| C55 | C56 | C57 | 121.7° | 119.8° |
| C55 | C56 | H56 | 118.9° | 120.1° |
| C55 | C62 | C63 | 119.5° | 120.2° |
| C55 | C62 | C67 | 121.1° | 120.1° |
| C57 | C56 | H56 | 119.5° | 120.1° |
| C56 | C57 | H57 | 121.1° | 119.9° |
| C63 | C62 | C67 | 119.4° | 119.7° |
| C62 | C63 | C64 | 120.8° | 119.9° |
| C62 | C63 | H63 | 120.2° | 120.0° |
| C62 | C67 | C66 | 118.9° | 119.9° |
| C62 | C67 | H67 | 120.1° | 120.0° |
| C64 | C63 | H63 | 119.0° | 120.1° |
| C63 | C64 | C65 | 119.1° | 120.1° |
| C63 | C64 | H64 | 120.7° | 120.0° |
| C65 | C64 | H64 | 120.1° | 119.9° |
| C64 | C65 | C66 | 120.1° | 120.2° |
| C64 | C65 | H65 | 120.4° | 120.0° |
| C66 | C65 | H65 | 119.5° | 119.8° |
| C65 | C66 | C67 | 121.7° | 120.1° |
| C65 | C66 | H66 | 118.1° | 119.9° |
| C67 | C66 | H66 | 120.2° | 120.0° |
| C66 | C67 | H67 | 121.1° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O76 | C75 | C4 | C3 | 63.6° | 180.0° |
| O76 | C75 | C4 | C5 | 93.5° | 0.4° |
| O76 | C75 | C4 | H75 | 180.0° | 180.0° |
| C2 | C1 | C6 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H2 | 179.9° | 179.9° |
| C1 | C2 | C3 | C4 | 0.7° | 0.0° |
| C1 | C2 | C3 | O30 | 179.4° | 180.0° |
| C2 | C1 | C6 | C5 | 4.1° | 0.3° |
| C2 | C1 | C6 | C11 | 178.8° | 180.0° |
| C6 | C1 | C2 | C3 | 5.1° | 0.0° |
| C6 | C1 | C2 | H2 | 174.9° | 180.0° |
| C1 | C6 | C5 | C4 | 2.7° | 0.6° |
| C1 | C6 | C5 | C11 | 177.0° | 179.7° |
| C1 | C6 | C5 | H5 | 177.3° | 180.0° |
| C1 | C6 | C11 | C12 | 79.2° | 90.0° |
| C1 | C6 | C11 | H111 | 155.5° | 30.0° |
| C1 | C6 | C11 | H112 | 46.1° | 150.1° |
| H1 | C1 | C2 | C3 | 174.9° | 180.0° |
| H1 | C1 | C2 | H2 | 5.1° | 0.0° |
| H1 | C1 | C6 | C5 | 175.9° | 179.7° |
| H1 | C1 | C6 | C11 | 1.2° | 0.0° |
| C2 | C3 | C4 | O30 | 178.6° | 179.9° |
| C2 | C3 | C4 | C5 | 7.5° | 0.3° |
| C2 | C3 | C4 | C75 | 148.8° | 179.9° |
| C2 | C3 | O30 | P7 | 75.7° | 74.7° |
| H2 | C2 | C3 | C4 | 179.2° | 180.0° |
| H2 | C2 | C3 | O30 | 0.6° | 0.1° |
| C3 | C4 | C5 | C75 | 157.4° | 179.6° |
| C3 | C4 | C5 | C6 | 8.5° | 0.6° |
| C3 | C4 | C5 | H5 | 171.5° | 180.0° |
| C4 | C3 | O30 | P7 | 105.7° | 105.4° |
| C3 | C4 | C75 | H75 | 116.4° | 0.0° |
| O30 | C3 | C4 | C5 | 173.9° | 179.7° |
| O30 | C3 | C4 | C75 | 29.8° | 0.0° |
| C3 | O30 | P7 | O8 | 153.9° | 57.2° |
| C3 | O30 | P7 | O9 | 92.2° | 177.2° |
| C3 | O30 | P7 | O10 | 29.6° | 62.7° |
| C4 | C5 | C6 | H5 | 180.0° | 179.4° |
| C4 | C5 | C6 | C11 | 174.3° | 179.7° |
| C5 | C4 | C75 | H75 | 86.5° | 179.7° |
| C75 | C4 | C5 | C6 | 148.9° | 179.8° |
| C75 | C4 | C5 | H5 | 31.1° | 0.4° |
| C5 | C6 | C11 | C12 | 103.7° | 90.3° |
| C5 | C6 | C11 | H111 | 21.5° | 149.8° |
| C5 | C6 | C11 | H112 | 130.9° | 29.7° |
| H5 | C5 | C6 | C11 | 5.7° | 0.3° |
| C6 | C11 | C12 | H111 | 125.2° | 120.0° |
| C6 | C11 | C12 | H112 | 125.3° | 120.0° |
| C6 | C11 | H111 | H112 | 117.2° | 120.0° |
| C6 | C11 | C12 | C13 | 177.8° | 180.0° |
| C6 | C11 | C12 | N15 | 62.5° | 60.0° |
| C6 | C11 | C12 | H12 | 58.9° | 60.0° |
| O8 | P7 | O9 | O10 | 124.9° | 120.0° |
| O8 | P7 | O9 | O30 | 110.7° | 120.0° |
| O8 | P7 | O10 | O30 | 117.2° | 119.9° |
| O8 | P7 | O9 | H9 | 180.0° | 60.0° |
| O8 | P7 | O10 | H10 | 180.0° | 180.0° |
| O9 | P7 | O10 | O30 | 122.4° | 120.0° |
| O9 | P7 | O10 | H10 | 59.7° | 60.0° |
| O10 | P7 | O9 | H9 | 55.1° | 60.0° |
| O30 | P7 | O9 | H9 | 69.3° | 180.0° |
| O30 | P7 | O10 | H10 | 62.7° | 60.1° |
| C12 | C11 | H111 | H112 | 117.2° | 120.0° |
| C11 | C12 | C13 | N15 | 118.4° | 120.1° |
| C11 | C12 | C13 | H12 | 120.2° | 120.0° |
| C11 | C12 | N15 | H12 | 120.2° | 120.0° |
| C11 | C12 | C13 | N14 | 87.1° | 89.9° |
| C11 | C12 | C13 | O19 | 92.8° | 90.0° |
| C11 | C12 | N15 | C16 | 142.7° | 60.0° |
| C11 | C12 | N15 | H15 | 37.2° | 119.9° |
| H111 | C11 | C12 | C13 | 52.6° | 60.1° |
| H111 | C11 | C12 | N15 | 172.3° | 60.0° |
| H111 | C11 | C12 | H12 | 66.3° | 180.0° |
| H112 | C11 | C12 | C13 | 56.9° | 60.0° |
| H112 | C11 | C12 | N15 | 62.8° | 180.0° |
| H112 | C11 | C12 | H12 | 175.8° | 60.0° |
| C13 | C12 | N15 | H12 | 118.9° | 119.9° |
| C12 | C13 | N14 | O19 | 180.0° | 179.9° |
| C12 | C13 | N14 | C20 | 179.4° | 180.0° |
| C12 | C13 | N14 | H14 | 0.5° | 0.0° |
| C13 | C12 | N15 | C16 | 96.3° | 60.1° |
| C13 | C12 | N15 | H15 | 83.7° | 120.0° |
| N15 | C12 | C13 | N14 | 154.4° | 150.0° |
| N15 | C12 | C13 | O19 | 25.6° | 30.1° |
| C12 | N15 | C16 | H15 | 179.9° | 179.9° |
| C12 | N15 | C16 | C17 | 169.9° | 180.0° |
| C12 | N15 | C16 | O18 | 11.6° | 0.1° |
| H12 | C12 | C13 | N14 | 33.0° | 30.0° |
| H12 | C12 | C13 | O19 | 147.0° | 150.0° |
| H12 | C12 | N15 | C16 | 22.6° | 180.0° |
| H12 | C12 | N15 | H15 | 157.4° | 0.1° |
| C13 | N14 | C20 | H14 | 180.0° | 180.0° |
| C13 | N14 | C20 | C21 | 165.3° | 166.3° |
| C13 | N14 | C20 | C26 | 73.3° | 74.5° |
| C13 | N14 | C20 | H20 | 46.0° | 45.9° |
| O19 | C13 | N14 | C20 | 0.6° | 0.0° |
| O19 | C13 | N14 | H14 | 179.5° | 180.0° |
| N14 | C20 | C21 | C26 | 117.9° | 119.8° |
| N14 | C20 | C21 | H20 | 122.7° | 120.4° |
| N14 | C20 | C26 | H20 | 122.7° | 120.4° |
| N14 | C20 | C21 | C22 | 169.6° | 34.8° |
| N14 | C20 | C21 | H211 | 44.3° | 85.5° |
| N14 | C20 | C21 | H212 | 65.1° | 155.2° |
| N14 | C20 | C26 | N25 | 174.2° | 48.8° |
| N14 | C20 | C26 | O29 | 9.2° | 131.5° |
| H14 | N14 | C20 | C21 | 14.8° | 13.7° |
| H14 | N14 | C20 | C26 | 106.7° | 105.5° |
| H14 | N14 | C20 | H20 | 134.0° | 134.1° |
| N15 | C16 | C17 | O18 | 178.5° | 179.9° |
| N15 | C16 | C17 | H171 | 180.0° | 180.0° |
| N15 | C16 | C17 | H172 | 54.7° | 60.0° |
| N15 | C16 | C17 | H173 | 54.8° | 59.9° |
| H15 | N15 | C16 | C17 | 10.1° | 0.1° |
| H15 | N15 | C16 | O18 | 168.4° | 180.0° |
| C16 | C17 | H171 | H172 | 125.3° | 120.0° |
| C16 | C17 | H171 | H173 | 125.2° | 120.1° |
| C16 | C17 | H172 | H173 | 117.3° | 120.0° |
| O18 | C16 | C17 | H171 | 1.5° | 0.0° |
| O18 | C16 | C17 | H172 | 123.8° | 120.0° |
| O18 | C16 | C17 | H173 | 126.7° | 120.0° |
| H171 | C17 | H172 | H173 | 117.4° | 120.0° |
| C21 | C20 | C26 | H20 | 119.4° | 119.8° |
| C20 | C21 | C22 | H211 | 125.3° | 120.3° |
| C20 | C21 | C22 | H212 | 125.3° | 120.4° |
| C20 | C21 | H211 | H212 | 116.1° | 119.4° |
| C20 | C21 | C22 | C23 | 58.8° | 66.8° |
| C20 | C21 | C22 | H221 | 66.5° | 54.3° |
| C20 | C21 | C22 | H222 | 175.9° | 172.1° |
| C21 | C20 | C26 | N25 | 67.9° | 71.0° |
| C21 | C20 | C26 | O29 | 108.7° | 108.7° |
| C26 | C20 | C21 | C22 | 72.4° | 85.0° |
| C26 | C20 | C21 | H211 | 162.3° | 154.7° |
| C26 | C20 | C21 | H212 | 52.8° | 35.4° |
| C20 | C26 | N25 | C24 | 8.6° | 0.6° |
| C20 | C26 | N25 | O29 | 176.5° | 179.7° |
| C20 | C26 | N25 | C27 | 176.0° | 179.5° |
| H20 | C20 | C21 | C22 | 46.9° | 155.1° |
| H20 | C20 | C21 | H211 | 78.4° | 34.9° |
| H20 | C20 | C21 | H212 | 172.2° | 84.5° |
| H20 | C20 | C26 | N25 | 51.5° | 169.2° |
| H20 | C20 | C26 | O29 | 131.9° | 11.2° |
| C22 | C21 | H211 | H212 | 116.0° | 119.4° |
| C21 | C22 | C23 | H221 | 125.3° | 121.2° |
| C21 | C22 | C23 | H222 | 125.2° | 121.1° |
| C21 | C22 | H221 | H222 | 112.6° | 117.9° |
| C21 | C22 | C23 | C24 | 61.8° | 67.0° |
| C21 | C22 | C23 | H231 | 172.9° | 172.5° |
| C21 | C22 | C23 | H232 | 63.5° | 53.3° |
| H211 | C21 | C22 | C23 | 175.9° | 172.9° |
| H211 | C21 | C22 | H221 | 58.8° | 66.0° |
| H211 | C21 | C22 | H222 | 50.6° | 51.8° |
| H212 | C21 | C22 | C23 | 66.5° | 53.5° |
| H212 | C21 | C22 | H221 | 168.2° | 174.7° |
| H212 | C21 | C22 | H222 | 58.8° | 67.5° |
| C23 | C22 | H221 | H222 | 112.7° | 117.9° |
| C22 | C23 | C24 | H231 | 125.3° | 120.4° |
| C22 | C23 | C24 | H232 | 125.3° | 120.3° |
| C22 | C23 | H231 | H232 | 119.3° | 119.3° |
| C22 | C23 | C24 | N25 | 80.2° | 86.5° |
| C22 | C23 | C24 | H241 | 45.0° | 33.3° |
| C22 | C23 | C24 | H242 | 154.6° | 153.8° |
| H221 | C22 | C23 | C24 | 63.5° | 54.1° |
| H221 | C22 | C23 | H231 | 61.8° | 66.3° |
| H221 | C22 | C23 | H232 | 171.2° | 174.5° |
| H222 | C22 | C23 | C24 | 173.0° | 171.9° |
| H222 | C22 | C23 | H231 | 47.7° | 51.5° |
| H222 | C22 | C23 | H232 | 61.7° | 67.7° |
| C24 | C23 | H231 | H232 | 119.3° | 119.3° |
| C23 | C24 | N25 | H241 | 125.3° | 119.8° |
| C23 | C24 | N25 | H242 | 125.2° | 119.7° |
| C23 | C24 | H241 | H242 | 116.1° | 120.4° |
| C23 | C24 | N25 | C26 | 65.1° | 72.2° |
| C23 | C24 | N25 | C27 | 102.0° | 108.0° |
| H231 | C23 | C24 | N25 | 154.5° | 153.1° |
| H231 | C23 | C24 | H241 | 80.3° | 87.0° |
| H231 | C23 | C24 | H242 | 29.3° | 33.4° |
| H232 | C23 | C24 | N25 | 45.1° | 33.8° |
| H232 | C23 | C24 | H241 | 170.3° | 153.7° |
| H232 | C23 | C24 | H242 | 80.2° | 85.9° |
| N25 | C24 | H241 | H242 | 116.1° | 120.4° |
| C24 | N25 | C26 | C27 | 167.4° | 179.8° |
| C24 | N25 | C26 | O29 | 167.9° | 179.7° |
| C24 | N25 | C27 | C28 | 71.9° | 90.0° |
| C24 | N25 | C27 | H271 | 162.8° | 30.0° |
| C24 | N25 | C27 | H272 | 53.3° | 150.0° |
| H241 | C24 | N25 | C26 | 60.2° | 47.7° |
| H241 | C24 | N25 | C27 | 132.7° | 132.2° |
| H242 | C24 | N25 | C26 | 169.7° | 168.1° |
| H242 | C24 | N25 | C27 | 23.2° | 11.7° |
| C26 | N25 | C27 | C28 | 96.7° | 89.9° |
| C26 | N25 | C27 | H271 | 28.5° | 150.2° |
| C26 | N25 | C27 | H272 | 138.0° | 30.1° |
| C27 | N25 | C26 | O29 | 0.5° | 0.1° |
| N25 | C27 | C28 | H271 | 125.2° | 120.0° |
| N25 | C27 | C28 | H272 | 125.3° | 120.0° |
| N25 | C27 | H271 | H272 | 118.4° | 120.1° |
| N25 | C27 | C28 | C53 | 109.2° | 90.3° |
| N25 | C27 | C28 | C57 | 68.8° | 90.0° |
| C28 | C27 | H271 | H272 | 118.4° | 120.0° |
| C27 | C28 | C53 | C57 | 178.0° | 179.7° |
| C27 | C28 | C53 | C54 | 177.2° | 179.8° |
| C27 | C28 | C53 | H53 | 2.9° | 0.3° |
| C27 | C28 | C57 | C56 | 177.2° | 179.9° |
| C27 | C28 | C57 | H57 | 2.8° | 0.0° |
| H271 | C27 | C28 | C53 | 125.5° | 29.7° |
| H271 | C27 | C28 | C57 | 56.4° | 150.0° |
| H272 | C27 | C28 | C53 | 16.1° | 149.7° |
| H272 | C27 | C28 | C57 | 165.9° | 30.0° |
| C28 | C53 | C54 | H53 | 180.0° | 179.5° |
| C28 | C53 | C54 | C55 | 0.6° | 0.5° |
| C28 | C53 | C54 | H54 | 179.3° | 179.7° |
| C53 | C28 | C57 | C56 | 4.7° | 0.2° |
| C53 | C28 | C57 | H57 | 175.3° | 179.7° |
| C57 | C28 | C53 | C54 | 4.9° | 0.5° |
| C57 | C28 | C53 | H53 | 175.1° | 180.0° |
| C28 | C57 | C56 | C55 | 0.5° | 0.1° |
| C28 | C57 | C56 | H57 | 180.0° | 180.0° |
| C28 | C57 | C56 | H56 | 179.5° | 180.0° |
| C53 | C54 | C55 | H54 | 180.0° | 179.7° |
| C53 | C54 | C55 | C56 | 3.5° | 0.3° |
| C53 | C54 | C55 | C62 | 179.3° | 179.7° |
| H53 | C53 | C54 | C55 | 179.3° | 180.0° |
| H53 | C53 | C54 | H54 | 0.7° | 0.3° |
| C54 | C55 | C56 | C62 | 177.2° | 180.0° |
| C54 | C55 | C56 | C57 | 3.6° | 0.0° |
| C54 | C55 | C56 | H56 | 176.4° | 180.0° |
| C54 | C55 | C62 | C63 | 142.1° | 139.9° |
| C54 | C55 | C62 | C67 | 36.6° | 39.7° |
| H54 | C54 | C55 | C56 | 176.5° | 180.0° |
| H54 | C54 | C55 | C62 | 0.7° | 0.0° |
| C55 | C56 | C57 | H56 | 180.0° | 179.9° |
| C55 | C56 | C57 | H57 | 179.5° | 180.0° |
| C56 | C55 | C62 | C63 | 35.1° | 40.1° |
| C56 | C55 | C62 | C67 | 146.2° | 140.3° |
| C62 | C55 | C56 | C57 | 179.2° | 180.0° |
| C62 | C55 | C56 | H56 | 0.8° | 0.0° |
| C55 | C62 | C63 | C67 | 178.7° | 179.7° |
| C55 | C62 | C63 | C64 | 179.6° | 179.7° |
| C55 | C62 | C63 | H63 | 0.5° | 0.3° |
| C55 | C62 | C67 | C66 | 179.2° | 180.0° |
| C55 | C62 | C67 | H67 | 0.8° | 0.1° |
| H56 | C56 | C57 | H57 | 0.5° | 0.1° |
| C62 | C63 | C64 | H63 | 180.0° | 179.4° |
| C62 | C63 | C64 | C65 | 1.3° | 0.6° |
| C62 | C63 | C64 | H64 | 178.7° | 179.6° |
| C63 | C62 | C67 | C66 | 0.6° | 0.3° |
| C63 | C62 | C67 | H67 | 179.5° | 179.8° |
| C67 | C62 | C63 | C64 | 0.9° | 0.6° |
| C67 | C62 | C63 | H63 | 179.2° | 180.0° |
| C62 | C67 | C66 | C65 | 0.7° | 0.0° |
| C62 | C67 | C66 | H67 | 180.0° | 179.9° |
| C62 | C67 | C66 | H66 | 179.3° | 180.0° |
| C63 | C64 | C65 | H64 | 180.0° | 179.8° |
| C63 | C64 | C65 | C66 | 1.4° | 0.2° |
| C63 | C64 | C65 | H65 | 178.6° | 179.7° |
| H63 | C63 | C64 | C65 | 178.8° | 180.0° |
| H63 | C63 | C64 | H64 | 1.3° | 0.2° |
| C64 | C65 | C66 | H65 | 180.0° | 179.9° |
| C64 | C65 | C66 | C67 | 1.1° | 0.0° |
| C64 | C65 | C66 | H66 | 178.9° | 180.0° |
| H64 | C64 | C65 | C66 | 178.6° | 180.0° |
| H64 | C64 | C65 | H65 | 1.4° | 0.1° |
| C65 | C66 | C67 | H66 | 180.0° | 180.0° |
| C65 | C66 | C67 | H67 | 179.3° | 179.9° |
| H65 | C65 | C66 | C67 | 178.9° | 180.0° |
| H65 | C65 | C66 | H66 | 1.1° | 0.1° |
| H66 | C66 | C67 | H67 | 0.7° | 0.1° |
