843
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.42Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | sing | 1.39Å | 1.43Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | O30 | sing | 1.36Å | 1.42Å | |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C11 | sing | 1.51Å | 1.51Å | |
| P7 | O8 | sing | 1.61Å | 1.52Å | |
| P7 | O9 | doub | 1.48Å | 1.54Å | |
| P7 | O10 | sing | 1.61Å | 1.49Å | |
| P7 | O30 | sing | 1.61Å | 1.49Å | |
| O8 | H8 | sing | 0.97Å | 0.95Å | |
| O10 | H10 | sing | 0.97Å | 0.95Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| 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 | 1.33Å | |
| C13 | O19 | doub | 1.21Å | 1.24Å | |
| N14 | C20 | sing | 1.46Å | 1.45Å | |
| N14 | H14 | sing | 0.97Å | 1.02Å | |
| N15 | C16 | sing | 1.35Å | 1.34Å | |
| N15 | H15 | sing | 0.97Å | 1.02Å | |
| C16 | C17 | sing | 1.51Å | 1.56Å | |
| C16 | O18 | doub | 1.21Å | 1.22Å | |
| 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 | 1.55Å | |
| C20 | C26 | sing | 1.51Å | 1.55Å | |
| C20 | H20 | sing | 1.09Å | 1.11Å | |
| C21 | C22 | sing | 1.52Å | 1.54Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| C22 | C23 | sing | 1.52Å | 1.53Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C24 | N25 | sing | 1.47Å | 1.49Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| N25 | C26 | sing | 1.34Å | 1.45Å | |
| N25 | C27 | sing | 1.46Å | 1.50Å | |
| C26 | O29 | doub | 1.21Å | 1.26Å | |
| C27 | C28 | sing | 1.51Å | 1.49Å | |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C27 | H272 | sing | 1.09Å | 1.11Å | |
| C28 | C54 | sing | 1.38Å | 1.43Å | Aromatic |
| C28 | C58 | doub | 1.38Å | 1.40Å | Aromatic |
| C54 | C55 | doub | 1.38Å | 1.44Å | Aromatic |
| C54 | H54 | sing | 1.08Å | 1.10Å | |
| C55 | C56 | sing | 1.39Å | 1.41Å | Aromatic |
| C55 | H55 | sing | 1.08Å | 1.10Å | |
| C56 | C57 | doub | 1.39Å | 1.41Å | Aromatic |
| C56 | C63 | sing | 1.48Å | 1.46Å | Aromatic |
| C57 | C58 | sing | 1.38Å | 1.41Å | Aromatic |
| C57 | H57 | sing | 1.08Å | 1.10Å | |
| C58 | H58 | sing | 1.08Å | 1.10Å | |
| C63 | C64 | sing | 1.39Å | 1.40Å | Aromatic |
| C63 | C68 | doub | 1.39Å | 1.43Å | Aromatic |
| C64 | C65 | doub | 1.38Å | 1.42Å | Aromatic |
| C64 | H64 | sing | 1.08Å | 1.10Å | |
| C65 | C66 | sing | 1.38Å | 1.41Å | Aromatic |
| C65 | H65 | sing | 1.08Å | 1.10Å | |
| C66 | C67 | doub | 1.38Å | 1.39Å | Aromatic |
| C66 | H66 | sing | 1.08Å | 1.10Å | |
| C67 | C68 | sing | 1.38Å | 1.41Å | Aromatic |
| C67 | H67 | sing | 1.08Å | 1.10Å | |
| C68 | H68 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.5° | 120.0° |
| C2 | C1 | H1 | 120.2° | 120.0° |
| C1 | C2 | C3 | 119.0° | 120.0° |
| C1 | C2 | H2 | 120.0° | 120.0° |
| C6 | C1 | H1 | 120.2° | 120.0° |
| C1 | C6 | C5 | 120.6° | 120.2° |
| C1 | C6 | C11 | 118.1° | 119.9° |
| C3 | C2 | H2 | 121.0° | 120.0° |
| C2 | C3 | C4 | 120.5° | 119.8° |
| C2 | C3 | O30 | 116.4° | 120.0° |
| C4 | C3 | O30 | 123.1° | 120.1° |
| C3 | C4 | C5 | 119.9° | 120.0° |
| C3 | C4 | H4 | 119.8° | 120.0° |
| C3 | O30 | P7 | 111.8° | 106.8° |
| C5 | C4 | H4 | 120.3° | 120.0° |
| C4 | C5 | C6 | 120.3° | 120.0° |
| C4 | C5 | H5 | 120.0° | 120.0° |
| C6 | C5 | H5 | 119.8° | 120.0° |
| C5 | C6 | C11 | 121.3° | 119.9° |
| C6 | C11 | C12 | 109.8° | 109.5° |
| C6 | C11 | H111 | 112.1° | 109.4° |
| C6 | C11 | H112 | 112.1° | 109.5° |
| O8 | P7 | O9 | 111.3° | 109.4° |
| O8 | P7 | O10 | 107.7° | 109.5° |
| O8 | P7 | O30 | 99.3° | 109.5° |
| P7 | O8 | H8 | 111.3° | 106.8° |
| O9 | P7 | O10 | 109.3° | 109.5° |
| O9 | P7 | O30 | 113.9° | 109.5° |
| O10 | P7 | O30 | 114.8° | 109.5° |
| P7 | O10 | H10 | 107.7° | 106.7° |
| C12 | C11 | H111 | 112.1° | 109.5° |
| C12 | C11 | H112 | 112.1° | 109.5° |
| C11 | C12 | C13 | 110.0° | 109.5° |
| C11 | C12 | N15 | 110.8° | 109.5° |
| C11 | C12 | H12 | 107.2° | 109.5° |
| H111 | C11 | H112 | 98.3° | 109.5° |
| C13 | C12 | N15 | 106.2° | 109.5° |
| C13 | C12 | H12 | 111.8° | 109.5° |
| C12 | C13 | N14 | 111.3° | 120.0° |
| C12 | C13 | O19 | 120.7° | 120.0° |
| N15 | C12 | H12 | 111.0° | 109.4° |
| C12 | N15 | C16 | 121.8° | 120.0° |
| C12 | N15 | H15 | 123.0° | 120.0° |
| N14 | C13 | O19 | 128.0° | 119.9° |
| C13 | N14 | C20 | 122.3° | 120.0° |
| C13 | N14 | H14 | 114.3° | 120.0° |
| C20 | N14 | H14 | 123.4° | 120.0° |
| N14 | C20 | C21 | 107.2° | 109.7° |
| N14 | C20 | C26 | 106.3° | 109.7° |
| N14 | C20 | H20 | 113.4° | 109.6° |
| C16 | N15 | H15 | 115.2° | 120.0° |
| N15 | C16 | C17 | 112.3° | 120.0° |
| N15 | C16 | O18 | 123.1° | 119.9° |
| C17 | C16 | O18 | 124.5° | 120.0° |
| C16 | C17 | H171 | 112.3° | 109.5° |
| C16 | C17 | H172 | 111.1° | 109.4° |
| C16 | C17 | H173 | 111.1° | 109.5° |
| H171 | C17 | H172 | 111.2° | 109.4° |
| H171 | C17 | H173 | 111.2° | 109.5° |
| H172 | C17 | H173 | 99.2° | 109.5° |
| C21 | C20 | C26 | 110.7° | 108.7° |
| C21 | C20 | H20 | 109.2° | 109.6° |
| C20 | C21 | C22 | 115.4° | 110.7° |
| C20 | C21 | H211 | 110.1° | 109.3° |
| C20 | C21 | H212 | 110.0° | 109.2° |
| C26 | C20 | H20 | 110.0° | 109.6° |
| C20 | C26 | N25 | 114.9° | 119.9° |
| C20 | C26 | O29 | 119.5° | 120.2° |
| C22 | C21 | H211 | 110.0° | 109.2° |
| C22 | C21 | H212 | 110.1° | 109.2° |
| C21 | C22 | C23 | 114.0° | 113.8° |
| C21 | C22 | H221 | 110.6° | 108.6° |
| C21 | C22 | H222 | 110.5° | 108.6° |
| H211 | C21 | H212 | 100.1° | 109.2° |
| C23 | C22 | H221 | 110.5° | 108.6° |
| C23 | C22 | H222 | 110.5° | 108.6° |
| C22 | C23 | C24 | 111.9° | 110.9° |
| C22 | C23 | H231 | 111.3° | 109.2° |
| C22 | C23 | H232 | 111.3° | 109.2° |
| H221 | C22 | H222 | 99.8° | 108.5° |
| C24 | C23 | H231 | 111.4° | 109.2° |
| C24 | C23 | H232 | 111.4° | 109.2° |
| C23 | C24 | N25 | 110.1° | 108.7° |
| C23 | C24 | H241 | 112.0° | 109.6° |
| C23 | C24 | H242 | 111.9° | 109.6° |
| H231 | C23 | H232 | 99.0° | 109.2° |
| N25 | C24 | H241 | 112.0° | 109.6° |
| N25 | C24 | H242 | 112.0° | 109.6° |
| C24 | N25 | C26 | 122.3° | 120.5° |
| C24 | N25 | C27 | 118.2° | 119.7° |
| H241 | C24 | H242 | 98.5° | 109.8° |
| C26 | N25 | C27 | 119.1° | 119.7° |
| N25 | C26 | O29 | 125.5° | 119.9° |
| N25 | C27 | C28 | 109.0° | 109.4° |
| N25 | C27 | H271 | 112.4° | 109.5° |
| N25 | C27 | H272 | 112.4° | 109.5° |
| C28 | C27 | H271 | 112.4° | 109.5° |
| C28 | C27 | H272 | 112.4° | 109.4° |
| C27 | C28 | C54 | 120.3° | 119.9° |
| C27 | C28 | C58 | 119.9° | 119.9° |
| H271 | C27 | H272 | 98.1° | 109.5° |
| C54 | C28 | C58 | 119.7° | 120.2° |
| C28 | C54 | C55 | 119.5° | 120.1° |
| C28 | C54 | H54 | 120.1° | 120.0° |
| C28 | C58 | C57 | 120.7° | 120.1° |
| C28 | C58 | H58 | 119.4° | 119.9° |
| C55 | C54 | H54 | 120.4° | 119.9° |
| C54 | C55 | C56 | 119.2° | 119.9° |
| C54 | C55 | H55 | 121.3° | 120.1° |
| C56 | C55 | H55 | 119.5° | 120.0° |
| C55 | C56 | C57 | 120.2° | 119.7° |
| C55 | C56 | C63 | 118.9° | 120.1° |
| C57 | C56 | C63 | 120.8° | 120.1° |
| C56 | C57 | C58 | 120.4° | 119.9° |
| C56 | C57 | H57 | 120.0° | 120.1° |
| C56 | C63 | C64 | 121.4° | 120.1° |
| C56 | C63 | C68 | 117.9° | 120.1° |
| C58 | C57 | H57 | 119.6° | 120.0° |
| C57 | C58 | H58 | 119.9° | 120.0° |
| C64 | C63 | C68 | 120.6° | 119.7° |
| C63 | C64 | C65 | 115.9° | 119.9° |
| C63 | C64 | H64 | 121.3° | 120.0° |
| C63 | C68 | C67 | 122.1° | 119.9° |
| C63 | C68 | H68 | 119.8° | 120.0° |
| C65 | C64 | H64 | 122.8° | 120.1° |
| C64 | C65 | C66 | 123.7° | 120.1° |
| C64 | C65 | H65 | 118.5° | 119.9° |
| C66 | C65 | H65 | 117.7° | 120.0° |
| C65 | C66 | C67 | 119.6° | 120.3° |
| C65 | C66 | H66 | 121.0° | 119.8° |
| C67 | C66 | H66 | 119.4° | 119.9° |
| C66 | C67 | C68 | 118.0° | 120.1° |
| C66 | C67 | H67 | 120.4° | 120.0° |
| C68 | C67 | H67 | 121.6° | 119.9° |
| C67 | C68 | H68 | 118.1° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 5.5° | 0.0° |
| C1 | C2 | C3 | O30 | 174.3° | 180.0° |
| C2 | C1 | C6 | C5 | 1.2° | 0.2° |
| C2 | C1 | C6 | C11 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 2.3° | 0.0° |
| C6 | C1 | C2 | H2 | 177.7° | 180.0° |
| C1 | C6 | C5 | C4 | 1.6° | 0.5° |
| C1 | C6 | C5 | C11 | 178.8° | 179.8° |
| C1 | C6 | C5 | H5 | 178.5° | 180.0° |
| C1 | C6 | C11 | C12 | 91.9° | 89.9° |
| C1 | C6 | C11 | H111 | 142.8° | 30.0° |
| C1 | C6 | C11 | H112 | 33.3° | 150.0° |
| H1 | C1 | C2 | C3 | 177.7° | 180.0° |
| H1 | C1 | C2 | H2 | 2.3° | 0.0° |
| H1 | C1 | C6 | C5 | 178.9° | 179.8° |
| H1 | C1 | C6 | C11 | 0.0° | 0.1° |
| C2 | C3 | C4 | O30 | 179.8° | 180.0° |
| C2 | C3 | C4 | C5 | 5.1° | 0.3° |
| C2 | C3 | C4 | H4 | 174.9° | 180.0° |
| C2 | C3 | O30 | P7 | 75.8° | 90.0° |
| H2 | C2 | C3 | C4 | 174.6° | 180.0° |
| H2 | C2 | C3 | O30 | 5.7° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 1.6° | 0.5° |
| C3 | C4 | C5 | H5 | 178.3° | 180.0° |
| C4 | C3 | O30 | P7 | 104.4° | 90.0° |
| O30 | C3 | C4 | C5 | 174.6° | 179.7° |
| O30 | C3 | C4 | H4 | 5.3° | 0.0° |
| C3 | O30 | P7 | O8 | 153.6° | 180.0° |
| C3 | O30 | P7 | O9 | 88.0° | 60.0° |
| C3 | O30 | P7 | O10 | 39.1° | 60.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.5° |
| C4 | C5 | C6 | C11 | 179.6° | 179.7° |
| H4 | C4 | C5 | C6 | 178.4° | 179.7° |
| H4 | C4 | C5 | H5 | 1.6° | 0.2° |
| C5 | C6 | C11 | C12 | 86.9° | 90.3° |
| C5 | C6 | C11 | H111 | 38.3° | 149.8° |
| C5 | C6 | C11 | H112 | 147.8° | 29.8° |
| H5 | C5 | C6 | C11 | 0.3° | 0.2° |
| C6 | C11 | C12 | H111 | 125.2° | 119.9° |
| C6 | C11 | C12 | H112 | 125.3° | 120.1° |
| C6 | C11 | H111 | H112 | 118.0° | 120.0° |
| C6 | C11 | C12 | C13 | 178.7° | 180.0° |
| C6 | C11 | C12 | N15 | 64.3° | 59.9° |
| C6 | C11 | C12 | H12 | 56.9° | 60.0° |
| O8 | P7 | O9 | O10 | 118.8° | 120.0° |
| O8 | P7 | O9 | O30 | 111.3° | 120.0° |
| O8 | P7 | O10 | O30 | 109.5° | 120.0° |
| O8 | P7 | O10 | H10 | 180.0° | 60.0° |
| O9 | P7 | O10 | O30 | 129.4° | 120.0° |
| O9 | P7 | O8 | H8 | 180.0° | 60.0° |
| O9 | P7 | O10 | H10 | 58.9° | 180.0° |
| O10 | P7 | O8 | H8 | 60.2° | 60.0° |
| O30 | P7 | O8 | H8 | 59.6° | 180.0° |
| O30 | P7 | O10 | H10 | 70.5° | 60.0° |
| C12 | C11 | H111 | H112 | 118.0° | 120.0° |
| C11 | C12 | C13 | N15 | 119.9° | 120.1° |
| C11 | C12 | C13 | H12 | 119.0° | 120.0° |
| C11 | C12 | N15 | H12 | 119.0° | 120.0° |
| C11 | C12 | C13 | N14 | 90.8° | 90.0° |
| C11 | C12 | C13 | O19 | 90.3° | 90.0° |
| C11 | C12 | N15 | C16 | 142.4° | 60.0° |
| C11 | C12 | N15 | H15 | 37.6° | 120.0° |
| H111 | C11 | C12 | C13 | 53.4° | 60.1° |
| H111 | C11 | C12 | N15 | 170.5° | 60.0° |
| H111 | C11 | C12 | H12 | 68.3° | 180.0° |
| H112 | C11 | C12 | C13 | 56.1° | 60.0° |
| H112 | C11 | C12 | N15 | 61.0° | 180.0° |
| H112 | C11 | C12 | H12 | 177.8° | 60.0° |
| C13 | C12 | N15 | H12 | 121.6° | 120.0° |
| C12 | C13 | N14 | O19 | 178.8° | 180.0° |
| C12 | C13 | N14 | C20 | 174.5° | 180.0° |
| C12 | C13 | N14 | H14 | 5.4° | 0.0° |
| C13 | C12 | N15 | C16 | 98.3° | 60.1° |
| C13 | C12 | N15 | H15 | 81.7° | 120.0° |
| N15 | C12 | C13 | N14 | 149.3° | 150.0° |
| N15 | C12 | C13 | O19 | 29.5° | 30.1° |
| C12 | N15 | C16 | H15 | 180.0° | 180.0° |
| C12 | N15 | C16 | C17 | 166.9° | 180.0° |
| C12 | N15 | C16 | O18 | 11.5° | 0.1° |
| H12 | C12 | C13 | N14 | 28.2° | 30.0° |
| H12 | C12 | C13 | O19 | 150.7° | 150.0° |
| H12 | C12 | N15 | C16 | 23.4° | 180.0° |
| H12 | C12 | N15 | H15 | 156.6° | 0.0° |
| C13 | N14 | C20 | H14 | 180.0° | 180.0° |
| C13 | N14 | C20 | C21 | 174.9° | 163.3° |
| C13 | N14 | C20 | C26 | 66.7° | 77.4° |
| C13 | N14 | C20 | H20 | 54.3° | 42.9° |
| O19 | C13 | N14 | C20 | 6.7° | 0.0° |
| O19 | C13 | N14 | H14 | 173.4° | 180.0° |
| N14 | C20 | C21 | C26 | 115.6° | 119.9° |
| N14 | C20 | C21 | H20 | 123.2° | 120.3° |
| N14 | C20 | C26 | H20 | 123.1° | 120.4° |
| N14 | C20 | C21 | C22 | 162.0° | 34.8° |
| N14 | C20 | C21 | H211 | 36.7° | 85.5° |
| N14 | C20 | C21 | H212 | 72.7° | 155.1° |
| N14 | C20 | C26 | N25 | 172.9° | 48.8° |
| N14 | C20 | C26 | O29 | 11.1° | 131.5° |
| H14 | N14 | C20 | C21 | 5.2° | 16.8° |
| H14 | N14 | C20 | C26 | 113.3° | 102.5° |
| H14 | N14 | C20 | H20 | 125.7° | 137.1° |
| N15 | C16 | C17 | O18 | 178.4° | 179.9° |
| N15 | C16 | C17 | H171 | 180.0° | 180.0° |
| N15 | C16 | C17 | H172 | 54.7° | 60.1° |
| N15 | C16 | C17 | H173 | 54.7° | 59.9° |
| H15 | N15 | C16 | C17 | 13.1° | 0.1° |
| H15 | N15 | C16 | O18 | 168.5° | 180.0° |
| C16 | C17 | H171 | H172 | 125.3° | 119.9° |
| C16 | C17 | H171 | H173 | 125.2° | 120.1° |
| C16 | C17 | H172 | H173 | 117.0° | 120.0° |
| O18 | C16 | C17 | H171 | 1.6° | 0.1° |
| O18 | C16 | C17 | H172 | 126.9° | 120.0° |
| O18 | C16 | C17 | H173 | 123.7° | 120.0° |
| H171 | C17 | H172 | H173 | 117.1° | 120.0° |
| C21 | C20 | C26 | H20 | 120.8° | 119.7° |
| C20 | C21 | C22 | H211 | 125.3° | 120.4° |
| C20 | C21 | C22 | H212 | 125.3° | 120.3° |
| C20 | C21 | H211 | H212 | 115.8° | 119.4° |
| C20 | C21 | C22 | C23 | 60.3° | 66.8° |
| C20 | C21 | C22 | H221 | 65.0° | 54.3° |
| C20 | C21 | C22 | H222 | 174.5° | 172.1° |
| C21 | C20 | C26 | N25 | 71.0° | 71.1° |
| C21 | C20 | C26 | O29 | 105.0° | 108.6° |
| C26 | C20 | C21 | C22 | 82.4° | 85.1° |
| C26 | C20 | C21 | H211 | 152.3° | 154.6° |
| C26 | C20 | C21 | H212 | 42.9° | 35.2° |
| C20 | C26 | N25 | C24 | 4.0° | 0.6° |
| C20 | C26 | N25 | O29 | 175.7° | 179.7° |
| C20 | C26 | N25 | C27 | 176.2° | 179.5° |
| H20 | C20 | C21 | C22 | 38.8° | 155.2° |
| H20 | C20 | C21 | H211 | 86.4° | 34.9° |
| H20 | C20 | C21 | H212 | 164.1° | 84.5° |
| H20 | C20 | C26 | N25 | 49.8° | 169.1° |
| H20 | C20 | C26 | O29 | 134.2° | 11.1° |
| C22 | C21 | H211 | H212 | 115.8° | 119.3° |
| C21 | C22 | C23 | H221 | 125.3° | 121.1° |
| C21 | C22 | C23 | H222 | 125.2° | 121.1° |
| C21 | C22 | H221 | H222 | 116.4° | 117.9° |
| C21 | C22 | C23 | C24 | 63.9° | 67.0° |
| C21 | C22 | C23 | H231 | 170.8° | 172.7° |
| C21 | C22 | C23 | H232 | 61.4° | 53.3° |
| H211 | C21 | C22 | C23 | 174.4° | 172.8° |
| H211 | C21 | C22 | H221 | 60.3° | 66.1° |
| H211 | C21 | C22 | H222 | 49.2° | 51.7° |
| H212 | C21 | C22 | C23 | 65.0° | 53.5° |
| H212 | C21 | C22 | H221 | 169.7° | 174.6° |
| H212 | C21 | C22 | H222 | 60.2° | 67.6° |
| C23 | C22 | H221 | H222 | 116.4° | 117.8° |
| C22 | C23 | C24 | H231 | 125.3° | 120.3° |
| C22 | C23 | C24 | H232 | 125.3° | 120.4° |
| C22 | C23 | H231 | H232 | 117.2° | 119.3° |
| C22 | C23 | C24 | N25 | 88.3° | 86.4° |
| C22 | C23 | C24 | H241 | 36.9° | 33.3° |
| C22 | C23 | C24 | H242 | 146.4° | 153.8° |
| H221 | C22 | C23 | C24 | 61.4° | 54.1° |
| H221 | C22 | C23 | H231 | 63.9° | 66.2° |
| H221 | C22 | C23 | H232 | 173.3° | 174.4° |
| H222 | C22 | C23 | C24 | 170.9° | 171.9° |
| H222 | C22 | C23 | H231 | 45.5° | 51.5° |
| H222 | C22 | C23 | H232 | 63.9° | 67.8° |
| C24 | C23 | H231 | H232 | 117.3° | 119.3° |
| C23 | C24 | N25 | H241 | 125.2° | 119.7° |
| C23 | C24 | N25 | H242 | 125.2° | 119.8° |
| C23 | C24 | H241 | H242 | 117.9° | 120.4° |
| C23 | C24 | N25 | C26 | 70.2° | 72.1° |
| C23 | C24 | N25 | C27 | 102.0° | 108.0° |
| H231 | C23 | C24 | N25 | 146.4° | 153.2° |
| H231 | C23 | C24 | H241 | 88.4° | 87.1° |
| H231 | C23 | C24 | H242 | 21.2° | 33.4° |
| H232 | C23 | C24 | N25 | 36.9° | 33.9° |
| H232 | C23 | C24 | H241 | 162.2° | 153.6° |
| H232 | C23 | C24 | H242 | 88.3° | 85.8° |
| N25 | C24 | H241 | H242 | 117.9° | 120.4° |
| C24 | N25 | C26 | C27 | 172.2° | 179.9° |
| C24 | N25 | C26 | O29 | 171.7° | 179.7° |
| C24 | N25 | C27 | C28 | 80.8° | 90.1° |
| C24 | N25 | C27 | H271 | 154.0° | 30.0° |
| C24 | N25 | C27 | H272 | 44.4° | 150.0° |
| H241 | C24 | N25 | C26 | 55.0° | 47.7° |
| H241 | C24 | N25 | C27 | 132.7° | 132.3° |
| H242 | C24 | N25 | C26 | 164.6° | 168.2° |
| H242 | C24 | N25 | C27 | 23.2° | 11.8° |
| C26 | N25 | C27 | C28 | 91.7° | 89.9° |
| C26 | N25 | C27 | H271 | 33.5° | 150.1° |
| C26 | N25 | C27 | H272 | 143.1° | 30.0° |
| C27 | N25 | C26 | O29 | 0.5° | 0.2° |
| N25 | C27 | C28 | H271 | 125.2° | 120.1° |
| N25 | C27 | C28 | H272 | 125.3° | 119.9° |
| N25 | C27 | H271 | H272 | 118.4° | 120.1° |
| N25 | C27 | C28 | C54 | 56.5° | 90.3° |
| N25 | C27 | C28 | C58 | 120.2° | 90.0° |
| C28 | C27 | H271 | H272 | 118.3° | 119.9° |
| C27 | C28 | C54 | C58 | 176.7° | 179.7° |
| C27 | C28 | C54 | C55 | 179.1° | 179.8° |
| C27 | C28 | C54 | H54 | 0.9° | 0.3° |
| C27 | C28 | C58 | C57 | 179.4° | 180.0° |
| C27 | C28 | C58 | H58 | 0.6° | 0.1° |
| H271 | C27 | C28 | C54 | 68.8° | 29.7° |
| H271 | C27 | C28 | C58 | 114.5° | 149.9° |
| H272 | C27 | C28 | C54 | 178.3° | 149.7° |
| H272 | C27 | C28 | C58 | 5.0° | 29.9° |
| C28 | C54 | C55 | H54 | 180.0° | 179.5° |
| C28 | C54 | C55 | C56 | 0.1° | 0.5° |
| C28 | C54 | C55 | H55 | 179.9° | 179.7° |
| C54 | C28 | C58 | C57 | 3.9° | 0.3° |
| C54 | C28 | C58 | H58 | 176.1° | 179.8° |
| C58 | C28 | C54 | C55 | 4.2° | 0.6° |
| C58 | C28 | C54 | H54 | 175.8° | 180.0° |
| C28 | C58 | C57 | C56 | 0.7° | 0.0° |
| C28 | C58 | C57 | H58 | 180.0° | 179.9° |
| C28 | C58 | C57 | H57 | 179.3° | 180.0° |
| C54 | C55 | C56 | H55 | 180.0° | 179.8° |
| C54 | C55 | C56 | C57 | 4.8° | 0.2° |
| C54 | C55 | C56 | C63 | 178.3° | 179.7° |
| H54 | C54 | C55 | C56 | 179.9° | 180.0° |
| H54 | C54 | C55 | H55 | 0.1° | 0.3° |
| C55 | C56 | C57 | C63 | 176.9° | 180.0° |
| C55 | C56 | C57 | C58 | 5.2° | 0.0° |
| C55 | C56 | C57 | H57 | 174.9° | 180.0° |
| C55 | C56 | C63 | C64 | 152.5° | 140.0° |
| C55 | C56 | C63 | C68 | 31.7° | 39.7° |
| H55 | C55 | C56 | C57 | 175.2° | 180.0° |
| H55 | C55 | C56 | C63 | 1.7° | 0.0° |
| C56 | C57 | C58 | H57 | 180.0° | 180.0° |
| C56 | C57 | C58 | H58 | 179.2° | 180.0° |
| C57 | C56 | C63 | C64 | 30.6° | 40.0° |
| C57 | C56 | C63 | C68 | 145.2° | 140.2° |
| C63 | C56 | C57 | C58 | 177.9° | 180.0° |
| C63 | C56 | C57 | H57 | 2.0° | 0.0° |
| C56 | C63 | C64 | C68 | 175.7° | 179.7° |
| C56 | C63 | C64 | C65 | 177.5° | 179.7° |
| C56 | C63 | C64 | H64 | 2.5° | 0.3° |
| C56 | C63 | C68 | C67 | 177.2° | 180.0° |
| C56 | C63 | C68 | H68 | 2.8° | 0.0° |
| H57 | C57 | C58 | H58 | 0.8° | 0.0° |
| C63 | C64 | C65 | H64 | 180.0° | 179.4° |
| C63 | C64 | C65 | C66 | 0.1° | 0.7° |
| C63 | C64 | C65 | H65 | 179.9° | 179.7° |
| C64 | C63 | C68 | C67 | 1.3° | 0.3° |
| C64 | C63 | C68 | H68 | 178.7° | 179.8° |
| C68 | C63 | C64 | C65 | 1.8° | 0.6° |
| C68 | C63 | C64 | H64 | 178.2° | 180.0° |
| C63 | C68 | C67 | C66 | 1.2° | 0.0° |
| C63 | C68 | C67 | H68 | 180.0° | 179.9° |
| C63 | C68 | C67 | H67 | 178.8° | 180.0° |
| C64 | C65 | C66 | H65 | 180.0° | 179.7° |
| C64 | C65 | C66 | C67 | 2.6° | 0.4° |
| C64 | C65 | C66 | H66 | 177.4° | 179.7° |
| H64 | C64 | C65 | C66 | 179.9° | 179.9° |
| H64 | C64 | C65 | H65 | 0.1° | 0.3° |
| C65 | C66 | C67 | H66 | 180.0° | 179.9° |
| C65 | C66 | C67 | C68 | 3.1° | 0.1° |
| C65 | C66 | C67 | H67 | 176.9° | 180.0° |
| H65 | C65 | C66 | C67 | 177.3° | 179.9° |
| H65 | C65 | C66 | H66 | 2.7° | 0.0° |
| C66 | C67 | C68 | H67 | 180.0° | 180.0° |
| C66 | C67 | C68 | H68 | 178.8° | 180.0° |
| H66 | C66 | C67 | C68 | 176.9° | 180.0° |
| H66 | C66 | C67 | H67 | 3.1° | 0.1° |
| H67 | C67 | C68 | H68 | 1.2° | 0.1° |
