852
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.43Å | Aromatic |
| C1 | C7 | sing | 1.51Å | 1.49Å | |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.40Å | 1.45Å | Aromatic |
| C4 | C40 | sing | 1.51Å | 1.50Å | |
| C5 | C6 | doub | 1.40Å | 1.42Å | Aromatic |
| C5 | C37 | sing | 1.48Å | 1.53Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.51Å | 1.54Å | |
| C8 | N12 | sing | 1.47Å | 1.45Å | |
| C8 | H8 | sing | 1.09Å | 1.11Å | |
| C9 | N10 | sing | 1.35Å | 1.36Å | |
| C9 | O11 | doub | 1.21Å | 1.25Å | |
| N10 | C16 | sing | 1.46Å | 1.44Å | |
| N10 | H10 | sing | 0.97Å | 1.02Å | |
| N12 | C13 | sing | 1.35Å | 1.33Å | |
| N12 | H12 | sing | 0.97Å | 1.02Å | |
| C13 | O14 | doub | 1.21Å | 1.22Å | |
| C13 | C15 | sing | 1.51Å | 1.54Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C15 | H153 | sing | 1.09Å | 1.12Å | |
| C16 | C17 | sing | 1.51Å | 1.54Å | |
| C16 | C25 | sing | 1.53Å | 1.52Å | |
| C16 | H16 | sing | 1.09Å | 1.11Å | |
| C17 | N18 | sing | 1.34Å | 1.39Å | |
| C17 | O19 | doub | 1.21Å | 1.25Å | |
| N18 | C20 | sing | 1.47Å | 1.47Å | |
| N18 | C22 | sing | 1.47Å | 1.51Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C21 | C24 | sing | 1.52Å | 1.51Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| C22 | C23 | sing | 1.51Å | 1.53Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C23 | C26 | sing | 1.38Å | 1.45Å | Aromatic |
| C23 | C30 | doub | 1.38Å | 1.42Å | Aromatic |
| C24 | C25 | sing | 1.52Å | 1.52Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| C25 | H251 | sing | 1.09Å | 1.12Å | |
| C25 | H252 | sing | 1.09Å | 1.12Å | |
| C26 | C27 | doub | 1.38Å | 1.42Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | C28 | sing | 1.39Å | 1.42Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | doub | 1.39Å | 1.41Å | Aromatic |
| C28 | C31 | sing | 1.48Å | 1.49Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| C30 | H30 | sing | 1.08Å | 1.10Å | |
| C31 | C32 | sing | 1.39Å | 1.44Å | Aromatic |
| C31 | C36 | doub | 1.39Å | 1.43Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.43Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C33 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| C34 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.10Å | |
| C35 | C36 | sing | 1.38Å | 1.42Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| C36 | H36 | sing | 1.08Å | 1.10Å | |
| C37 | O38 | sing | 1.35Å | 1.37Å | |
| C37 | O39 | doub | 1.22Å | 1.18Å | |
| O38 | H38 | sing | 0.97Å | 0.95Å | |
| C40 | C41 | sing | 1.51Å | 1.53Å | |
| C40 | C76 | sing | 1.51Å | 1.52Å | |
| C40 | H40 | sing | 1.09Å | 1.11Å | |
| C41 | O42 | sing | 1.34Å | 1.31Å | |
| C41 | O43 | doub | 1.21Å | 1.18Å | |
| O42 | H42 | sing | 0.97Å | 0.95Å | |
| C76 | O78 | sing | 1.34Å | 1.17Å | |
| C76 | O79 | doub | 1.21Å | 1.31Å | |
| O78 | H78 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 123.7° | 120.1° |
| C2 | C1 | C7 | 119.7° | 119.9° |
| C1 | C2 | C3 | 118.7° | 120.3° |
| C1 | C2 | H2 | 121.1° | 119.8° |
| C6 | C1 | C7 | 116.5° | 119.9° |
| C1 | C6 | C5 | 117.5° | 119.9° |
| C1 | C6 | H6 | 121.7° | 120.1° |
| C1 | C7 | C8 | 106.4° | 109.5° |
| C1 | C7 | H71 | 113.3° | 109.5° |
| C1 | C7 | H72 | 113.3° | 109.5° |
| C3 | C2 | H2 | 120.2° | 119.9° |
| C2 | C3 | C4 | 119.3° | 120.2° |
| C2 | C3 | H3 | 120.0° | 119.9° |
| C4 | C3 | H3 | 120.6° | 119.9° |
| C3 | C4 | C5 | 122.4° | 119.8° |
| C3 | C4 | C40 | 114.6° | 120.1° |
| C5 | C4 | C40 | 123.0° | 120.1° |
| C4 | C5 | C6 | 118.1° | 119.7° |
| C4 | C5 | C37 | 125.0° | 120.2° |
| C4 | C40 | C41 | 122.2° | 109.5° |
| C4 | C40 | C76 | 122.4° | 109.5° |
| C4 | C40 | H40 | 75.3° | 109.4° |
| C6 | C5 | C37 | 116.9° | 120.1° |
| C5 | C6 | H6 | 120.8° | 120.1° |
| C5 | C37 | O38 | 120.6° | 120.0° |
| C5 | C37 | O39 | 119.5° | 120.0° |
| C8 | C7 | H71 | 113.4° | 109.5° |
| C8 | C7 | H72 | 113.4° | 109.4° |
| C7 | C8 | C9 | 107.4° | 109.5° |
| C7 | C8 | N12 | 110.0° | 109.5° |
| C7 | C8 | H8 | 110.4° | 109.5° |
| H71 | C7 | H72 | 97.1° | 109.5° |
| C9 | C8 | N12 | 109.2° | 109.5° |
| C9 | C8 | H8 | 111.2° | 109.5° |
| C8 | C9 | N10 | 111.4° | 120.0° |
| C8 | C9 | O11 | 122.8° | 120.0° |
| N12 | C8 | H8 | 108.7° | 109.5° |
| C8 | N12 | C13 | 120.5° | 120.0° |
| C8 | N12 | H12 | 124.3° | 120.0° |
| N10 | C9 | O11 | 125.8° | 120.0° |
| C9 | N10 | C16 | 118.4° | 120.0° |
| C9 | N10 | H10 | 118.2° | 120.0° |
| C16 | N10 | H10 | 123.4° | 120.0° |
| N10 | C16 | C17 | 107.9° | 109.6° |
| N10 | C16 | C25 | 108.4° | 109.7° |
| N10 | C16 | H16 | 111.5° | 109.7° |
| C13 | N12 | H12 | 115.2° | 120.0° |
| N12 | C13 | O14 | 124.3° | 120.0° |
| N12 | C13 | C15 | 112.9° | 120.0° |
| O14 | C13 | C15 | 122.6° | 120.0° |
| C13 | C15 | H151 | 112.9° | 109.4° |
| C13 | C15 | H152 | 110.9° | 109.4° |
| C13 | C15 | H153 | 110.9° | 109.5° |
| H151 | C15 | H152 | 111.0° | 109.5° |
| H151 | C15 | H153 | 110.9° | 109.4° |
| H152 | C15 | H153 | 99.4° | 109.5° |
| C17 | C16 | C25 | 110.4° | 108.6° |
| C17 | C16 | H16 | 109.6° | 109.6° |
| C16 | C17 | N18 | 113.5° | 120.0° |
| C16 | C17 | O19 | 120.5° | 120.1° |
| C25 | C16 | H16 | 109.1° | 109.7° |
| C16 | C25 | C24 | 113.5° | 110.7° |
| C16 | C25 | H251 | 110.8° | 109.2° |
| C16 | C25 | H252 | 110.7° | 109.2° |
| N18 | C17 | O19 | 126.0° | 119.9° |
| C17 | N18 | C20 | 124.3° | 120.5° |
| C17 | N18 | C22 | 115.2° | 119.7° |
| C20 | N18 | C22 | 120.1° | 119.8° |
| N18 | C20 | C21 | 106.1° | 108.7° |
| N18 | C20 | H201 | 113.5° | 109.6° |
| N18 | C20 | H202 | 113.4° | 109.6° |
| N18 | C22 | C23 | 112.2° | 109.4° |
| N18 | C22 | H221 | 111.2° | 109.5° |
| N18 | C22 | H222 | 111.2° | 109.4° |
| C21 | C20 | H201 | 113.4° | 109.6° |
| C21 | C20 | H202 | 113.4° | 109.6° |
| C20 | C21 | C24 | 111.4° | 110.9° |
| C20 | C21 | H211 | 111.5° | 109.2° |
| C20 | C21 | H212 | 111.5° | 109.1° |
| H201 | C20 | H202 | 97.1° | 109.7° |
| C24 | C21 | H211 | 111.5° | 109.3° |
| C24 | C21 | H212 | 111.5° | 109.2° |
| C21 | C24 | C25 | 112.9° | 113.8° |
| C21 | C24 | H241 | 110.9° | 108.6° |
| C21 | C24 | H242 | 111.0° | 108.6° |
| H211 | C21 | H212 | 98.9° | 109.1° |
| C23 | C22 | H221 | 111.1° | 109.5° |
| C23 | C22 | H222 | 111.2° | 109.5° |
| C22 | C23 | C26 | 121.2° | 119.9° |
| C22 | C23 | C30 | 117.7° | 119.9° |
| H221 | C22 | H222 | 99.2° | 109.5° |
| C26 | C23 | C30 | 120.8° | 120.2° |
| C23 | C26 | C27 | 120.3° | 120.2° |
| C23 | C26 | H26 | 120.9° | 119.9° |
| C23 | C30 | C29 | 119.6° | 120.1° |
| C23 | C30 | H30 | 120.9° | 119.9° |
| C25 | C24 | H241 | 110.9° | 108.6° |
| C25 | C24 | H242 | 110.9° | 108.7° |
| C24 | C25 | H251 | 110.7° | 109.3° |
| C24 | C25 | H252 | 110.7° | 109.2° |
| H241 | C24 | H242 | 99.4° | 108.5° |
| H251 | C25 | H252 | 99.5° | 109.2° |
| C27 | C26 | H26 | 118.9° | 119.9° |
| C26 | C27 | C28 | 116.0° | 119.8° |
| C26 | C27 | H27 | 121.9° | 120.1° |
| C28 | C27 | H27 | 122.1° | 120.0° |
| C27 | C28 | C29 | 125.0° | 119.8° |
| C27 | C28 | C31 | 117.2° | 120.1° |
| C29 | C28 | C31 | 117.8° | 120.1° |
| C28 | C29 | C30 | 118.3° | 119.9° |
| C28 | C29 | H29 | 120.9° | 120.0° |
| C28 | C31 | C32 | 119.6° | 120.1° |
| C28 | C31 | C36 | 119.8° | 120.1° |
| C30 | C29 | H29 | 120.8° | 120.0° |
| C29 | C30 | H30 | 119.5° | 120.0° |
| C32 | C31 | C36 | 120.6° | 119.8° |
| C31 | C32 | C33 | 118.2° | 119.9° |
| C31 | C32 | H32 | 121.1° | 120.0° |
| C31 | C36 | C35 | 119.4° | 119.9° |
| C31 | C36 | H36 | 120.8° | 120.1° |
| C33 | C32 | H32 | 120.7° | 120.1° |
| C32 | C33 | C34 | 119.9° | 120.1° |
| C32 | C33 | H33 | 121.4° | 120.0° |
| C34 | C33 | H33 | 118.6° | 119.9° |
| C33 | C34 | C35 | 122.4° | 120.2° |
| C33 | C34 | H34 | 118.7° | 119.9° |
| C35 | C34 | H34 | 119.0° | 119.9° |
| C34 | C35 | C36 | 119.5° | 120.1° |
| C34 | C35 | H35 | 119.6° | 119.9° |
| C36 | C35 | H35 | 120.9° | 119.9° |
| C35 | C36 | H36 | 119.8° | 120.1° |
| O38 | C37 | O39 | 120.0° | 120.0° |
| C37 | O38 | H38 | 120.6° | 120.1° |
| C41 | C40 | C76 | 113.3° | 109.5° |
| C41 | C40 | H40 | 105.6° | 109.4° |
| C40 | C41 | O42 | 110.0° | 120.0° |
| C40 | C41 | O43 | 125.8° | 120.0° |
| C76 | C40 | H40 | 104.7° | 109.5° |
| C40 | C76 | O78 | 113.9° | 120.0° |
| C40 | C76 | O79 | 118.4° | 120.0° |
| O42 | C41 | O43 | 124.0° | 120.0° |
| C41 | O42 | H42 | 110.0° | 120.0° |
| O78 | C76 | O79 | 126.9° | 120.0° |
| C76 | O78 | H78 | 113.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C7 | 175.8° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 4.1° | 0.0° |
| C1 | C2 | C3 | H3 | 175.9° | 180.0° |
| C2 | C1 | C6 | C5 | 2.8° | 0.4° |
| C2 | C1 | C6 | H6 | 177.2° | 180.0° |
| C2 | C1 | C7 | C8 | 83.6° | 90.0° |
| C2 | C1 | C7 | H71 | 41.7° | 30.0° |
| C2 | C1 | C7 | H72 | 151.1° | 150.1° |
| C6 | C1 | C2 | C3 | 2.1° | 0.2° |
| C6 | C1 | C2 | H2 | 177.9° | 179.8° |
| C1 | C6 | C5 | C4 | 5.6° | 0.4° |
| C1 | C6 | C5 | H6 | 180.0° | 179.7° |
| C1 | C6 | C5 | C37 | 174.2° | 179.8° |
| C6 | C1 | C7 | C8 | 92.4° | 90.2° |
| C6 | C1 | C7 | H71 | 142.4° | 149.8° |
| C6 | C1 | C7 | H72 | 32.9° | 29.8° |
| C7 | C1 | C2 | C3 | 177.8° | 180.0° |
| C7 | C1 | C2 | H2 | 2.2° | 0.1° |
| C7 | C1 | C6 | C5 | 172.9° | 179.8° |
| C7 | C1 | C6 | H6 | 7.1° | 0.1° |
| C1 | C7 | C8 | H71 | 125.2° | 120.0° |
| C1 | C7 | C8 | H72 | 125.3° | 120.0° |
| C1 | C7 | H71 | H72 | 119.2° | 120.0° |
| C1 | C7 | C8 | C9 | 178.5° | NaN° |
| C1 | C7 | C8 | N12 | 62.8° | 60.0° |
| C1 | C7 | C8 | H8 | 57.1° | 60.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 1.2° | 0.0° |
| C2 | C3 | C4 | C40 | 179.2° | 180.0° |
| H2 | C2 | C3 | C4 | 175.9° | 179.9° |
| H2 | C2 | C3 | H3 | 4.1° | 0.1° |
| C3 | C4 | C5 | C40 | 179.6° | 180.0° |
| C3 | C4 | C5 | C6 | 3.8° | 0.2° |
| C3 | C4 | C5 | C37 | 175.9° | 180.0° |
| C3 | C4 | C40 | C41 | 115.2° | 54.7° |
| C3 | C4 | C40 | C76 | 47.0° | 65.3° |
| C3 | C4 | C40 | H40 | 145.4° | 174.7° |
| H3 | C3 | C4 | C5 | 178.8° | 180.0° |
| H3 | C3 | C4 | C40 | 0.9° | 0.0° |
| C4 | C5 | C6 | C37 | 179.8° | 179.8° |
| C4 | C5 | C6 | H6 | 174.4° | 180.0° |
| C4 | C5 | C37 | O38 | 75.4° | 140.9° |
| C4 | C5 | C37 | O39 | 104.0° | 39.1° |
| C5 | C4 | C40 | C41 | 64.5° | 125.3° |
| C5 | C4 | C40 | C76 | 133.3° | 114.7° |
| C5 | C4 | C40 | H40 | 35.0° | 5.3° |
| C40 | C4 | C5 | C6 | 175.8° | 179.8° |
| C40 | C4 | C5 | C37 | 4.5° | 0.0° |
| C4 | C40 | C41 | C76 | 163.7° | 120.1° |
| C4 | C40 | C41 | H40 | 82.3° | 119.9° |
| C4 | C40 | C76 | H40 | 81.8° | 120.0° |
| C4 | C40 | C41 | O42 | 55.3° | 180.0° |
| C4 | C40 | C41 | O43 | 120.2° | 0.1° |
| C4 | C40 | C76 | O78 | 149.9° | 180.0° |
| C4 | C40 | C76 | O79 | 40.0° | 0.0° |
| C6 | C5 | C37 | O38 | 104.3° | 38.9° |
| C6 | C5 | C37 | O39 | 76.2° | 141.1° |
| C37 | C5 | C6 | H6 | 5.8° | 0.1° |
| C5 | C37 | O38 | O39 | 179.5° | 180.0° |
| C5 | C37 | O38 | H38 | 179.9° | 180.0° |
| C8 | C7 | H71 | H72 | 119.3° | 120.0° |
| C7 | C8 | C9 | N12 | 119.2° | 120.0° |
| C7 | C8 | C9 | H8 | 120.9° | 120.0° |
| C7 | C8 | N12 | H8 | 120.9° | 120.0° |
| C7 | C8 | C9 | N10 | 90.7° | 90.0° |
| C7 | C8 | C9 | O11 | 88.2° | 90.0° |
| C7 | C8 | N12 | C13 | 133.4° | 59.9° |
| C7 | C8 | N12 | H12 | 46.5° | 120.0° |
| H71 | C7 | C8 | C9 | 53.3° | 60.0° |
| H71 | C7 | C8 | N12 | 172.0° | 60.0° |
| H71 | C7 | C8 | H8 | 68.1° | 180.0° |
| H72 | C7 | C8 | C9 | 56.3° | 60.0° |
| H72 | C7 | C8 | N12 | 62.5° | 180.0° |
| H72 | C7 | C8 | H8 | 177.6° | 60.0° |
| C9 | C8 | N12 | H8 | 121.5° | 120.0° |
| C8 | C9 | N10 | O11 | 178.8° | 180.0° |
| C8 | C9 | N10 | C16 | 176.7° | 180.0° |
| C8 | C9 | N10 | H10 | 3.3° | 0.0° |
| C9 | C8 | N12 | C13 | 109.0° | 60.1° |
| C9 | C8 | N12 | H12 | 71.1° | 120.0° |
| N12 | C8 | C9 | N10 | 150.1° | 150.0° |
| N12 | C8 | C9 | O11 | 31.0° | 30.0° |
| C8 | N12 | C13 | H12 | 180.0° | 179.9° |
| C8 | N12 | C13 | O14 | 5.5° | 0.2° |
| C8 | N12 | C13 | C15 | 169.9° | 180.0° |
| H8 | C8 | C9 | N10 | 30.2° | 30.0° |
| H8 | C8 | C9 | O11 | 150.9° | 150.0° |
| H8 | C8 | N12 | C13 | 12.5° | 179.9° |
| H8 | C8 | N12 | H12 | 167.5° | 0.0° |
| C9 | N10 | C16 | H10 | 180.0° | 179.9° |
| C9 | N10 | C16 | C17 | 70.7° | 77.3° |
| C9 | N10 | C16 | C25 | 169.8° | 163.6° |
| C9 | N10 | C16 | H16 | 49.7° | 43.1° |
| O11 | C9 | N10 | C16 | 2.1° | 0.0° |
| O11 | C9 | N10 | H10 | 177.8° | 180.0° |
| N10 | C16 | C17 | C25 | 118.3° | 119.8° |
| N10 | C16 | C17 | H16 | 121.6° | 120.4° |
| N10 | C16 | C25 | H16 | 121.6° | 120.5° |
| N10 | C16 | C17 | N18 | 168.9° | 48.8° |
| N10 | C16 | C17 | O19 | 12.3° | 131.6° |
| N10 | C16 | C25 | C24 | 158.1° | 34.7° |
| N10 | C16 | C25 | H251 | 32.8° | 155.2° |
| N10 | C16 | C25 | H252 | 76.7° | 85.6° |
| H10 | N10 | C16 | C17 | 109.3° | 102.8° |
| H10 | N10 | C16 | C25 | 10.2° | 16.4° |
| H10 | N10 | C16 | H16 | 130.3° | 136.9° |
| N12 | C13 | O14 | C15 | 174.9° | 179.8° |
| N12 | C13 | C15 | H151 | 180.0° | 179.9° |
| N12 | C13 | C15 | H152 | 54.7° | 60.1° |
| N12 | C13 | C15 | H153 | 54.7° | 59.9° |
| H12 | N12 | C13 | O14 | 174.5° | 179.9° |
| H12 | N12 | C13 | C15 | 10.1° | 0.1° |
| O14 | C13 | C15 | H151 | 4.5° | 0.1° |
| O14 | C13 | C15 | H152 | 129.8° | 120.1° |
| O14 | C13 | C15 | H153 | 120.7° | 119.8° |
| C13 | C15 | H151 | H152 | 125.3° | 120.0° |
| C13 | C15 | H151 | H153 | 125.2° | 120.0° |
| C13 | C15 | H152 | H153 | 116.8° | 120.0° |
| H151 | C15 | H152 | H153 | 116.8° | 120.0° |
| C17 | C16 | C25 | H16 | 120.4° | 119.7° |
| C16 | C17 | N18 | O19 | 178.7° | 179.7° |
| C16 | C17 | N18 | C20 | 2.4° | 0.6° |
| C16 | C17 | N18 | C22 | 175.2° | 179.6° |
| C17 | C16 | C25 | C24 | 83.9° | 85.1° |
| C17 | C16 | C25 | H251 | 150.8° | 35.4° |
| C17 | C16 | C25 | H252 | 41.3° | 154.7° |
| C25 | C16 | C17 | N18 | 72.8° | 71.0° |
| C25 | C16 | C17 | O19 | 106.0° | 108.6° |
| C16 | C25 | C24 | C21 | 62.0° | 66.9° |
| C16 | C25 | C24 | H251 | 125.3° | 120.4° |
| C16 | C25 | C24 | H252 | 125.3° | 120.2° |
| C16 | C25 | C24 | H241 | 172.8° | 172.0° |
| C16 | C25 | C24 | H242 | 63.3° | 54.2° |
| C16 | C25 | H251 | H252 | 116.6° | 119.3° |
| H16 | C16 | C17 | N18 | 47.3° | 169.2° |
| H16 | C16 | C17 | O19 | 133.9° | 11.2° |
| H16 | C16 | C25 | C24 | 36.5° | 155.2° |
| H16 | C16 | C25 | H251 | 88.8° | 84.4° |
| H16 | C16 | C25 | H252 | 161.8° | 34.9° |
| C17 | N18 | C20 | C22 | 172.5° | 179.9° |
| C17 | N18 | C20 | C21 | 71.3° | 72.1° |
| C17 | N18 | C20 | H201 | 163.5° | 168.1° |
| C17 | N18 | C20 | H202 | 53.9° | 47.7° |
| C17 | N18 | C22 | C23 | 87.7° | 89.8° |
| C17 | N18 | C22 | H221 | 37.5° | 150.2° |
| C17 | N18 | C22 | H222 | 147.0° | 30.1° |
| O19 | C17 | N18 | C20 | 176.3° | 179.8° |
| O19 | C17 | N18 | C22 | 3.5° | 0.1° |
| N18 | C20 | C21 | H201 | 125.3° | 119.7° |
| N18 | C20 | C21 | H202 | 125.2° | 119.8° |
| N18 | C20 | H201 | H202 | 119.4° | 120.4° |
| N18 | C20 | C21 | C24 | 90.2° | 86.5° |
| N18 | C20 | C21 | H211 | 35.0° | 33.9° |
| N18 | C20 | C21 | H212 | 144.5° | 153.1° |
| C20 | N18 | C22 | C23 | 85.4° | 90.0° |
| C20 | N18 | C22 | H221 | 149.4° | 30.0° |
| C20 | N18 | C22 | H222 | 39.8° | 150.0° |
| C22 | N18 | C20 | C21 | 101.2° | 108.0° |
| C22 | N18 | C20 | H201 | 24.0° | 11.7° |
| C22 | N18 | C20 | H202 | 133.6° | 132.2° |
| N18 | C22 | C23 | H221 | 125.3° | 120.0° |
| N18 | C22 | C23 | H222 | 125.3° | 119.9° |
| N18 | C22 | H221 | H222 | 117.1° | 120.0° |
| N18 | C22 | C23 | C26 | 58.8° | 90.3° |
| N18 | C22 | C23 | C30 | 115.3° | 90.0° |
| C21 | C20 | H201 | H202 | 119.4° | 120.4° |
| C20 | C21 | C24 | H211 | 125.3° | 120.4° |
| C20 | C21 | C24 | H212 | 125.3° | 120.3° |
| C20 | C21 | H211 | H212 | 117.4° | 119.3° |
| C20 | C21 | C24 | C25 | 67.7° | 67.1° |
| C20 | C21 | C24 | H241 | 167.0° | 171.9° |
| C20 | C21 | C24 | H242 | 57.5° | 54.1° |
| H201 | C20 | C21 | C24 | 144.5° | 153.8° |
| H201 | C20 | C21 | H211 | 90.2° | 85.8° |
| H201 | C20 | C21 | H212 | 19.2° | 33.4° |
| H202 | C20 | C21 | C24 | 35.0° | 33.3° |
| H202 | C20 | C21 | H211 | 160.2° | 153.7° |
| H202 | C20 | C21 | H212 | 90.3° | 87.0° |
| C24 | C21 | H211 | H212 | 117.4° | 119.3° |
| C21 | C24 | C25 | H241 | 125.2° | 121.1° |
| C21 | C24 | C25 | H242 | 125.3° | 121.1° |
| C21 | C24 | H241 | H242 | 116.9° | 117.9° |
| C21 | C24 | C25 | H251 | 172.7° | 53.5° |
| C21 | C24 | C25 | H252 | 63.3° | 172.9° |
| H211 | C21 | C24 | C25 | 57.5° | 53.4° |
| H211 | C21 | C24 | H241 | 67.7° | 67.7° |
| H211 | C21 | C24 | H242 | 177.2° | 174.5° |
| H212 | C21 | C24 | C25 | 167.0° | 172.7° |
| H212 | C21 | C24 | H241 | 41.7° | 51.6° |
| H212 | C21 | C24 | H242 | 67.8° | 66.2° |
| C23 | C22 | H221 | H222 | 117.1° | 120.1° |
| C22 | C23 | C26 | C30 | 173.9° | 179.7° |
| C22 | C23 | C26 | C27 | 172.4° | 179.8° |
| C22 | C23 | C26 | H26 | 7.6° | 0.4° |
| C22 | C23 | C30 | C29 | 173.6° | 179.9° |
| C22 | C23 | C30 | H30 | 6.4° | 0.0° |
| H221 | C22 | C23 | C26 | 66.5° | 29.6° |
| H221 | C22 | C23 | C30 | 119.4° | 150.0° |
| H222 | C22 | C23 | C26 | 176.0° | 149.7° |
| H222 | C22 | C23 | C30 | 10.0° | 29.9° |
| C23 | C26 | C27 | H26 | 180.0° | 179.4° |
| C23 | C26 | C27 | C28 | 0.9° | 0.5° |
| C23 | C26 | C27 | H27 | 179.1° | 179.7° |
| C26 | C23 | C30 | C29 | 0.5° | 0.2° |
| C26 | C23 | C30 | H30 | 179.5° | 179.7° |
| C30 | C23 | C26 | C27 | 1.5° | 0.5° |
| C30 | C23 | C26 | H26 | 178.5° | 180.0° |
| C23 | C30 | C29 | C28 | 0.9° | 0.1° |
| C23 | C30 | C29 | H30 | 180.0° | 179.9° |
| C23 | C30 | C29 | H29 | 179.1° | 180.0° |
| C25 | C24 | H241 | H242 | 116.8° | 117.9° |
| C24 | C25 | H251 | H252 | 116.5° | 119.4° |
| H241 | C24 | C25 | H251 | 47.5° | 67.6° |
| H241 | C24 | C25 | H252 | 62.0° | 51.8° |
| H242 | C24 | C25 | H251 | 62.0° | 174.6° |
| H242 | C24 | C25 | H252 | 171.5° | 66.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.7° |
| C26 | C27 | C28 | C29 | 0.6° | 0.2° |
| C26 | C27 | C28 | C31 | 179.1° | 179.7° |
| H26 | C26 | C27 | C28 | 179.1° | 180.0° |
| H26 | C26 | C27 | H27 | 0.9° | 0.3° |
| C27 | C28 | C29 | C31 | 179.7° | 179.9° |
| C27 | C28 | C29 | C30 | 1.5° | 0.1° |
| C27 | C28 | C29 | H29 | 178.5° | 180.0° |
| C27 | C28 | C31 | C32 | 144.8° | 139.9° |
| C27 | C28 | C31 | C36 | 32.5° | 39.7° |
| H27 | C27 | C28 | C29 | 179.4° | 180.0° |
| H27 | C27 | C28 | C31 | 0.9° | 0.0° |
| C28 | C29 | C30 | H29 | 180.0° | 179.9° |
| C28 | C29 | C30 | H30 | 179.1° | 180.0° |
| C29 | C28 | C31 | C32 | 35.5° | 40.1° |
| C29 | C28 | C31 | C36 | 147.2° | 140.3° |
| C31 | C28 | C29 | C30 | 178.2° | 180.0° |
| C31 | C28 | C29 | H29 | 1.8° | 0.1° |
| C28 | C31 | C32 | C36 | 177.3° | 179.6° |
| C28 | C31 | C32 | C33 | 175.1° | 179.7° |
| C28 | C31 | C32 | H32 | 4.8° | 0.3° |
| C28 | C31 | C36 | C35 | 174.4° | 179.9° |
| C28 | C31 | C36 | H36 | 5.6° | 0.0° |
| H29 | C29 | C30 | H30 | 0.9° | 0.1° |
| C31 | C32 | C33 | H32 | 180.0° | 179.4° |
| C31 | C32 | C33 | C34 | 0.4° | 0.7° |
| C31 | C32 | C33 | H33 | 179.6° | 179.6° |
| C32 | C31 | C36 | C35 | 2.9° | 0.3° |
| C32 | C31 | C36 | H36 | 177.1° | 179.7° |
| C36 | C31 | C32 | C33 | 2.2° | 0.6° |
| C36 | C31 | C32 | H32 | 177.9° | 180.0° |
| C31 | C36 | C35 | C34 | 1.9° | 0.0° |
| C31 | C36 | C35 | H36 | 180.0° | 180.0° |
| C31 | C36 | C35 | H35 | 178.1° | 180.0° |
| C32 | C33 | C34 | H33 | 180.0° | 179.7° |
| C32 | C33 | C34 | C35 | 0.6° | 0.4° |
| C32 | C33 | C34 | H34 | 179.4° | 179.7° |
| H32 | C32 | C33 | C34 | 179.6° | 180.0° |
| H32 | C32 | C33 | H33 | 0.4° | 0.3° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.1° | 0.0° |
| C33 | C34 | C35 | H35 | 179.8° | 180.0° |
| H33 | C33 | C34 | C35 | 179.4° | 180.0° |
| H33 | C33 | C34 | H34 | 0.6° | 0.1° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | H36 | 178.1° | 180.0° |
| H34 | C34 | C35 | C36 | 179.9° | 179.9° |
| H34 | C34 | C35 | H35 | 0.1° | 0.1° |
| H35 | C35 | C36 | H36 | 1.9° | 0.0° |
| O39 | C37 | O38 | H38 | 0.5° | 0.0° |
| C41 | C40 | C76 | H40 | 114.6° | 120.0° |
| C40 | C41 | O42 | O43 | 175.6° | 179.9° |
| C40 | C41 | O42 | H42 | 180.0° | 180.0° |
| C41 | C40 | C76 | O78 | 13.7° | 60.0° |
| C41 | C40 | C76 | O79 | 156.3° | 120.0° |
| C76 | C40 | C41 | O42 | 108.4° | 59.9° |
| C76 | C40 | C41 | O43 | 76.1° | 120.0° |
| C40 | C76 | O78 | O79 | 169.1° | 180.0° |
| C40 | C76 | O78 | H78 | 179.9° | 180.0° |
| H40 | C40 | C41 | O42 | 137.6° | 60.1° |
| H40 | C40 | C41 | O43 | 37.9° | 120.0° |
| H40 | C40 | C76 | O78 | 128.3° | 60.0° |
| H40 | C40 | C76 | O79 | 41.8° | 120.0° |
| O43 | C41 | O42 | H42 | 4.4° | 0.1° |
| O79 | C76 | O78 | H78 | 11.0° | 0.0° |
