903
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 | 1.48Å | Aromatic |
| C1 | C7 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | sing | 1.38Å | 1.45Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.46Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.40Å | 1.50Å | Aromatic |
| C4 | C40 | sing | 1.51Å | 1.58Å | |
| C5 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
| C5 | C37 | sing | 1.48Å | 1.59Å | |
| 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 | 1.53Å | |
| C8 | N12 | sing | 1.47Å | 1.51Å | |
| C8 | H8 | sing | 1.09Å | 1.12Å | |
| C9 | N10 | sing | 1.35Å | 1.42Å | |
| C9 | O11 | doub | 1.21Å | 1.27Å | |
| N10 | C16 | sing | 1.47Å | 1.49Å | |
| 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 | 1.25Å | |
| C13 | C15 | sing | 1.51Å | 1.60Å | |
| 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 | 1.61Å | |
| C16 | C25 | sing | 1.53Å | 1.54Å | |
| C16 | H16 | sing | 1.09Å | 1.11Å | |
| C17 | N18 | sing | 1.34Å | 1.53Å | |
| C17 | O19 | doub | 1.21Å | 1.28Å | |
| N18 | C20 | sing | 1.47Å | 1.49Å | |
| N18 | C22 | sing | 1.46Å | 1.48Å | |
| C20 | C21 | sing | 1.53Å | 1.50Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C21 | C24 | sing | 1.52Å | 1.54Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| C22 | C23 | sing | 1.51Å | 1.46Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C23 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C30 | sing | 1.38Å | 1.46Å | Aromatic |
| C24 | C25 | sing | 1.52Å | 1.51Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.12Å | |
| C26 | C27 | sing | 1.38Å | 1.43Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | C28 | doub | 1.39Å | 1.38Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | sing | 1.39Å | 1.42Å | Aromatic |
| C28 | C31 | sing | 1.48Å | 1.48Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.43Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| C30 | H30 | sing | 1.08Å | 1.10Å | |
| C31 | C32 | sing | 1.39Å | 1.48Å | Aromatic |
| C31 | C36 | doub | 1.39Å | 1.44Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.43Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C33 | C34 | sing | 1.38Å | 1.42Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| C34 | C35 | doub | 1.38Å | 1.44Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.10Å | |
| C35 | C36 | sing | 1.38Å | 1.44Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| C36 | H36 | sing | 1.08Å | 1.10Å | |
| C37 | O38 | sing | 1.35Å | 1.38Å | |
| C37 | O39 | doub | 1.21Å | 1.19Å | |
| O38 | C81 | sing | 1.45Å | 1.54Å | |
| C40 | C41 | sing | 1.51Å | 1.50Å | |
| C40 | C75 | sing | 1.51Å | 1.65Å | |
| C40 | F80 | sing | 1.40Å | 1.59Å | |
| C41 | O42 | sing | 1.34Å | 1.48Å | |
| C41 | O43 | doub | 1.21Å | 1.25Å | |
| O42 | H42 | sing | 0.97Å | 0.95Å | |
| C75 | O76 | sing | 1.34Å | 1.14Å | |
| C75 | O77 | doub | 1.21Å | 1.29Å | |
| O76 | H76 | sing | 0.97Å | 0.95Å | |
| C81 | H811 | sing | 1.09Å | 1.11Å | |
| C81 | H812 | sing | 1.09Å | 1.11Å | |
| C81 | H813 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 122.3° | 120.2° |
| C2 | C1 | C7 | 123.9° | 119.9° |
| C1 | C2 | C3 | 117.3° | 120.3° |
| C1 | C2 | H2 | 120.4° | 119.9° |
| C6 | C1 | C7 | 113.8° | 119.9° |
| C1 | C6 | C5 | 121.7° | 119.8° |
| C1 | C6 | H6 | 121.6° | 120.1° |
| C1 | C7 | C8 | 106.4° | 109.4° |
| C1 | C7 | H71 | 113.3° | 109.5° |
| C1 | C7 | H72 | 113.4° | 109.5° |
| C3 | C2 | H2 | 122.4° | 119.9° |
| C2 | C3 | C4 | 121.3° | 120.2° |
| C2 | C3 | H3 | 119.0° | 119.9° |
| C4 | C3 | H3 | 119.8° | 119.9° |
| C3 | C4 | C5 | 120.5° | 119.9° |
| C3 | C4 | C40 | 116.8° | 120.1° |
| C5 | C4 | C40 | 122.1° | 120.1° |
| C4 | C5 | C6 | 116.6° | 119.7° |
| C4 | C5 | C37 | 129.5° | 120.1° |
| C4 | C40 | C41 | 121.3° | 109.5° |
| C4 | C40 | C75 | 105.1° | 109.5° |
| C4 | C40 | F80 | 124.0° | 109.5° |
| C6 | C5 | C37 | 113.8° | 120.2° |
| C5 | C6 | H6 | 116.6° | 120.1° |
| C5 | C37 | O38 | 108.4° | 119.9° |
| C5 | C37 | O39 | 122.1° | 120.0° |
| C8 | C7 | H71 | 113.3° | 109.5° |
| C8 | C7 | H72 | 113.4° | 109.5° |
| C7 | C8 | C9 | 110.3° | 109.4° |
| C7 | C8 | N12 | 111.0° | 109.5° |
| C7 | C8 | H8 | 106.5° | 109.5° |
| H71 | C7 | H72 | 97.1° | 109.5° |
| C9 | C8 | N12 | 104.7° | 109.5° |
| C9 | C8 | H8 | 112.6° | 109.4° |
| C8 | C9 | N10 | 109.7° | 120.0° |
| C8 | C9 | O11 | 123.0° | 120.0° |
| N12 | C8 | H8 | 111.9° | 109.5° |
| C8 | N12 | C13 | 116.9° | 120.0° |
| C8 | N12 | H12 | 127.4° | 120.0° |
| N10 | C9 | O11 | 127.3° | 120.1° |
| C9 | N10 | C16 | 110.7° | 120.0° |
| C9 | N10 | H10 | 122.5° | 120.0° |
| C16 | N10 | H10 | 126.9° | 120.0° |
| N10 | C16 | C17 | 114.7° | 109.6° |
| N10 | C16 | C25 | 99.7° | 109.6° |
| N10 | C16 | H16 | 119.8° | 109.6° |
| C13 | N12 | H12 | 115.7° | 120.1° |
| N12 | C13 | O14 | 123.6° | 120.0° |
| N12 | C13 | C15 | 112.9° | 120.0° |
| O14 | C13 | C15 | 123.4° | 120.0° |
| C13 | C15 | H151 | 112.9° | 109.5° |
| C13 | C15 | H152 | 110.9° | 109.4° |
| C13 | C15 | H153 | 110.9° | 109.5° |
| H151 | C15 | H152 | 111.0° | 109.5° |
| H151 | C15 | H153 | 111.0° | 109.4° |
| H152 | C15 | H153 | 99.4° | 109.5° |
| C17 | C16 | C25 | 124.5° | 108.7° |
| C17 | C16 | H16 | 91.2° | 109.7° |
| C16 | C17 | N18 | 110.3° | 120.0° |
| C16 | C17 | O19 | 125.6° | 120.1° |
| C25 | C16 | H16 | 108.6° | 109.6° |
| C16 | C25 | C24 | 116.1° | 110.7° |
| C16 | C25 | H251 | 109.8° | 109.2° |
| C16 | C25 | H252 | 109.8° | 109.2° |
| N18 | C17 | O19 | 124.0° | 119.9° |
| C17 | N18 | C20 | 125.5° | 120.5° |
| C17 | N18 | C22 | 120.9° | 119.7° |
| C20 | N18 | C22 | 113.1° | 119.8° |
| N18 | C20 | C21 | 117.9° | 108.7° |
| N18 | C20 | H201 | 109.2° | 109.6° |
| N18 | C20 | H202 | 109.2° | 109.6° |
| N18 | C22 | C23 | 103.6° | 109.4° |
| N18 | C22 | H221 | 114.4° | 109.4° |
| N18 | C22 | H222 | 114.5° | 109.4° |
| C21 | C20 | H201 | 109.1° | 109.6° |
| C21 | C20 | H202 | 109.2° | 109.6° |
| C20 | C21 | C24 | 113.2° | 110.9° |
| C20 | C21 | H211 | 110.9° | 109.2° |
| C20 | C21 | H212 | 110.9° | 109.2° |
| H201 | C20 | H202 | 101.0° | 109.8° |
| C24 | C21 | H211 | 110.8° | 109.2° |
| C24 | C21 | H212 | 110.8° | 109.2° |
| C21 | C24 | C25 | 114.6° | 113.8° |
| C21 | C24 | H241 | 110.4° | 108.6° |
| C21 | C24 | H242 | 110.4° | 108.6° |
| H211 | C21 | H212 | 99.4° | 109.2° |
| C23 | C22 | H221 | 114.4° | 109.5° |
| C23 | C22 | H222 | 114.4° | 109.5° |
| C22 | C23 | C26 | 118.0° | 119.9° |
| C22 | C23 | C30 | 119.3° | 119.9° |
| H221 | C22 | H222 | 96.1° | 109.5° |
| C26 | C23 | C30 | 122.0° | 120.3° |
| C23 | C26 | C27 | 116.7° | 120.1° |
| C23 | C26 | H26 | 120.2° | 119.9° |
| C23 | C30 | C29 | 118.7° | 120.1° |
| C23 | C30 | H30 | 121.7° | 119.9° |
| C25 | C24 | H241 | 110.3° | 108.6° |
| C25 | C24 | H242 | 110.4° | 108.6° |
| C24 | C25 | H251 | 109.8° | 109.2° |
| C24 | C25 | H252 | 109.8° | 109.2° |
| H241 | C24 | H242 | 99.9° | 108.4° |
| H251 | C25 | H252 | 100.3° | 109.2° |
| C27 | C26 | H26 | 123.1° | 119.9° |
| C26 | C27 | C28 | 123.8° | 119.8° |
| C26 | C27 | H27 | 119.9° | 120.1° |
| C28 | C27 | H27 | 116.3° | 120.1° |
| C27 | C28 | C29 | 119.8° | 119.8° |
| C27 | C28 | C31 | 122.1° | 120.1° |
| C29 | C28 | C31 | 116.9° | 120.1° |
| C28 | C29 | C30 | 118.9° | 119.9° |
| C28 | C29 | H29 | 120.2° | 120.0° |
| C28 | C31 | C32 | 119.3° | 120.1° |
| C28 | C31 | C36 | 118.0° | 120.1° |
| C30 | C29 | H29 | 120.9° | 120.1° |
| C29 | C30 | H30 | 119.6° | 119.9° |
| C32 | C31 | C36 | 122.7° | 119.8° |
| C31 | C32 | C33 | 119.2° | 119.9° |
| C31 | C32 | H32 | 122.3° | 120.1° |
| C31 | C36 | C35 | 114.2° | 119.9° |
| C31 | C36 | H36 | 122.8° | 120.1° |
| C33 | C32 | H32 | 118.6° | 120.1° |
| C32 | C33 | C34 | 118.9° | 120.2° |
| C32 | C33 | H33 | 120.9° | 119.9° |
| C34 | C33 | H33 | 120.2° | 119.9° |
| C33 | C34 | C35 | 120.2° | 120.2° |
| C33 | C34 | H34 | 119.2° | 120.0° |
| C35 | C34 | H34 | 120.6° | 119.8° |
| C34 | C35 | C36 | 123.7° | 120.1° |
| C34 | C35 | H35 | 117.9° | 119.9° |
| C36 | C35 | H35 | 118.4° | 119.9° |
| C35 | C36 | H36 | 123.0° | 120.1° |
| O38 | C37 | O39 | 128.4° | 120.1° |
| C37 | O38 | C81 | 152.2° | 120.0° |
| O38 | C81 | H811 | 152.2° | 109.5° |
| O38 | C81 | H812 | 98.1° | 109.5° |
| O38 | C81 | H813 | 98.1° | 109.5° |
| C41 | C40 | C75 | 87.4° | 109.5° |
| C41 | C40 | F80 | 88.7° | 109.5° |
| C40 | C41 | O42 | 108.5° | 120.0° |
| C40 | C41 | O43 | 120.0° | 120.0° |
| C75 | C40 | F80 | 124.0° | 109.4° |
| C40 | C75 | O76 | 111.6° | 120.0° |
| C40 | C75 | O77 | 133.4° | 120.0° |
| O42 | C41 | O43 | 131.1° | 120.0° |
| C41 | O42 | H42 | 108.4° | 120.0° |
| O76 | C75 | O77 | 114.6° | 120.0° |
| C75 | O76 | H76 | 111.6° | 120.1° |
| H811 | C81 | H812 | 98.2° | 109.5° |
| H811 | C81 | H813 | 98.2° | 109.5° |
| H812 | C81 | H813 | 107.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C7 | 177.1° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 7.0° | 0.2° |
| C1 | C2 | C3 | H3 | 173.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C2 | C1 | C6 | H6 | 179.9° | 180.0° |
| C2 | C1 | C7 | C8 | 106.1° | 90.0° |
| C2 | C1 | C7 | H71 | 19.1° | 150.0° |
| C2 | C1 | C7 | H72 | 128.6° | 30.0° |
| C6 | C1 | C2 | C3 | 4.8° | 0.0° |
| C6 | C1 | C2 | H2 | 175.2° | 180.0° |
| C1 | C6 | C5 | C4 | 2.4° | 0.2° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | C37 | 174.8° | 180.0° |
| C6 | C1 | C7 | C8 | 70.9° | 90.0° |
| C6 | C1 | C7 | H71 | 163.8° | 29.9° |
| C6 | C1 | C7 | H72 | 54.4° | 150.0° |
| C7 | C1 | C2 | C3 | 172.0° | 180.0° |
| C7 | C1 | C2 | H2 | 8.0° | 0.1° |
| C7 | C1 | C6 | C5 | 177.0° | 180.0° |
| C7 | C1 | C6 | H6 | 3.0° | 0.0° |
| C1 | C7 | C8 | H71 | 125.2° | 120.0° |
| C1 | C7 | C8 | H72 | 125.3° | 120.0° |
| C1 | C7 | H71 | H72 | 119.3° | 120.1° |
| C1 | C7 | C8 | C9 | 179.2° | 180.0° |
| C1 | C7 | C8 | N12 | 63.7° | 60.0° |
| C1 | C7 | C8 | H8 | 58.3° | 60.1° |
| C2 | C3 | C4 | H3 | 180.0° | 179.8° |
| C2 | C3 | C4 | C5 | 4.6° | 0.5° |
| C2 | C3 | C4 | C40 | 166.5° | 180.0° |
| H2 | C2 | C3 | C4 | 173.0° | 179.7° |
| H2 | C2 | C3 | H3 | 6.9° | 0.1° |
| C3 | C4 | C5 | C40 | 170.6° | 179.6° |
| C3 | C4 | C5 | C6 | 0.2° | 0.5° |
| C3 | C4 | C5 | C37 | 176.5° | 179.8° |
| C3 | C4 | C40 | C41 | 165.7° | 7.2° |
| C3 | C4 | C40 | C75 | 69.4° | 112.8° |
| C3 | C4 | C40 | F80 | 82.2° | 127.2° |
| H3 | C3 | C4 | C5 | 175.4° | 179.7° |
| H3 | C3 | C4 | C40 | 13.5° | 0.2° |
| C4 | C5 | C6 | C37 | 177.3° | 179.7° |
| C4 | C5 | C6 | H6 | 177.5° | 179.8° |
| C4 | C5 | C37 | O38 | 115.6° | 174.1° |
| C4 | C5 | C37 | O39 | 53.5° | 6.0° |
| C5 | C4 | C40 | C41 | 23.4° | 173.3° |
| C5 | C4 | C40 | C75 | 119.7° | 66.7° |
| C5 | C4 | C40 | F80 | 88.7° | 53.3° |
| C40 | C4 | C5 | C6 | 170.9° | 180.0° |
| C40 | C4 | C5 | C37 | 5.9° | 0.3° |
| C4 | C40 | C41 | C75 | 106.1° | 120.0° |
| C4 | C40 | C41 | F80 | 129.8° | 120.1° |
| C4 | C40 | C75 | F80 | 151.6° | 120.0° |
| C4 | C40 | C41 | O42 | 40.2° | 70.2° |
| C4 | C40 | C41 | O43 | 146.4° | 109.8° |
| C4 | C40 | C75 | O76 | 145.2° | 180.0° |
| C4 | C40 | C75 | O77 | 43.0° | 0.0° |
| C6 | C5 | C37 | O38 | 67.6° | 5.7° |
| C6 | C5 | C37 | O39 | 123.4° | 174.3° |
| C37 | C5 | C6 | H6 | 5.2° | 0.0° |
| C5 | C37 | O38 | O39 | 168.2° | 180.0° |
| C5 | C37 | O38 | C81 | 178.2° | 180.0° |
| C8 | C7 | H71 | H72 | 119.3° | 120.0° |
| C7 | C8 | C9 | N12 | 119.4° | 120.0° |
| C7 | C8 | C9 | H8 | 118.8° | 120.0° |
| C7 | C8 | N12 | H8 | 118.8° | 120.1° |
| C7 | C8 | C9 | N10 | 88.9° | 90.0° |
| C7 | C8 | C9 | O11 | 89.5° | 90.0° |
| C7 | C8 | N12 | C13 | 136.8° | 59.9° |
| C7 | C8 | N12 | H12 | 43.1° | 120.1° |
| H71 | C7 | C8 | C9 | 55.6° | 60.0° |
| H71 | C7 | C8 | N12 | 171.1° | 60.0° |
| H71 | C7 | C8 | H8 | 66.9° | 179.9° |
| H72 | C7 | C8 | C9 | 53.9° | 60.0° |
| H72 | C7 | C8 | N12 | 61.6° | 180.0° |
| H72 | C7 | C8 | H8 | 176.3° | 59.9° |
| C9 | C8 | N12 | H8 | 122.2° | 120.0° |
| C8 | C9 | N10 | O11 | 178.3° | 180.0° |
| C8 | C9 | N10 | C16 | 160.9° | 180.0° |
| C8 | C9 | N10 | H10 | 19.0° | 0.0° |
| C9 | C8 | N12 | C13 | 104.2° | 60.0° |
| C9 | C8 | N12 | H12 | 75.8° | 120.0° |
| N12 | C8 | C9 | N10 | 151.6° | 150.0° |
| N12 | C8 | C9 | O11 | 30.0° | 30.0° |
| C8 | N12 | C13 | H12 | 180.0° | 180.0° |
| C8 | N12 | C13 | O14 | 16.8° | 0.0° |
| C8 | N12 | C13 | C15 | 166.9° | 180.0° |
| H8 | C8 | C9 | N10 | 29.8° | 30.0° |
| H8 | C8 | C9 | O11 | 151.8° | 150.1° |
| H8 | C8 | N12 | C13 | 18.1° | 180.0° |
| H8 | C8 | N12 | H12 | 161.9° | 0.0° |
| C9 | N10 | C16 | H10 | 180.0° | 180.0° |
| C9 | N10 | C16 | C17 | 68.8° | 77.3° |
| C9 | N10 | C16 | C25 | 155.9° | 163.4° |
| C9 | N10 | C16 | H16 | 37.9° | 43.1° |
| O11 | C9 | N10 | C16 | 17.3° | 0.0° |
| O11 | C9 | N10 | H10 | 162.7° | 180.0° |
| N10 | C16 | C17 | C25 | 122.7° | 119.8° |
| N10 | C16 | C17 | H16 | 123.8° | 120.4° |
| N10 | C16 | C25 | H16 | 126.0° | 120.3° |
| N10 | C16 | C17 | N18 | 172.3° | 48.8° |
| N10 | C16 | C17 | O19 | 6.1° | 131.5° |
| N10 | C16 | C25 | C24 | 159.8° | 34.8° |
| N10 | C16 | C25 | H251 | 34.5° | 155.1° |
| N10 | C16 | C25 | H252 | 75.0° | 85.5° |
| H10 | N10 | C16 | C17 | 111.1° | 102.7° |
| H10 | N10 | C16 | C25 | 24.1° | 16.6° |
| H10 | N10 | C16 | H16 | 142.1° | 136.9° |
| N12 | C13 | O14 | C15 | 175.9° | 179.9° |
| N12 | C13 | C15 | H151 | 180.0° | 179.9° |
| N12 | C13 | C15 | H152 | 54.7° | 60.0° |
| N12 | C13 | C15 | H153 | 54.8° | 59.9° |
| H12 | N12 | C13 | O14 | 163.2° | 179.9° |
| H12 | N12 | C13 | C15 | 13.1° | 0.0° |
| O14 | C13 | C15 | H151 | 3.7° | 0.0° |
| O14 | C13 | C15 | H152 | 129.0° | 120.1° |
| O14 | C13 | C15 | H153 | 121.6° | 120.0° |
| C13 | C15 | H151 | H152 | 125.2° | 120.0° |
| C13 | C15 | H151 | H153 | 125.2° | 120.0° |
| C13 | C15 | H152 | H153 | 116.8° | 120.0° |
| H151 | C15 | H152 | H153 | 116.9° | 119.9° |
| C17 | C16 | C25 | H16 | 104.9° | 119.8° |
| C16 | C17 | N18 | O19 | 178.4° | 179.6° |
| C16 | C17 | N18 | C20 | 13.9° | 0.7° |
| C16 | C17 | N18 | C22 | 174.5° | 179.5° |
| C17 | C16 | C25 | C24 | 71.1° | 85.0° |
| C17 | C16 | C25 | H251 | 163.5° | 35.3° |
| C17 | C16 | C25 | H252 | 54.1° | 154.6° |
| C25 | C16 | C17 | N18 | 65.1° | 71.0° |
| C25 | C16 | C17 | O19 | 116.6° | 108.7° |
| C16 | C25 | C24 | C21 | 56.2° | 66.8° |
| C16 | C25 | C24 | H251 | 125.3° | 120.3° |
| C16 | C25 | C24 | H252 | 125.3° | 120.4° |
| C16 | C25 | C24 | H241 | 178.5° | 172.1° |
| C16 | C25 | C24 | H242 | 69.1° | 54.3° |
| C16 | C25 | H251 | H252 | 115.6° | 119.4° |
| H16 | C16 | C17 | N18 | 48.5° | 169.2° |
| H16 | C16 | C17 | O19 | 129.8° | 11.1° |
| H16 | C16 | C25 | C24 | 33.7° | 155.2° |
| H16 | C16 | C25 | H251 | 91.6° | 84.5° |
| H16 | C16 | C25 | H252 | 159.0° | 34.8° |
| C17 | N18 | C20 | C22 | 172.2° | 179.8° |
| C17 | N18 | C20 | C21 | 50.2° | 72.2° |
| C17 | N18 | C20 | H201 | 175.4° | 168.1° |
| C17 | N18 | C20 | H202 | 75.0° | 47.5° |
| C17 | N18 | C22 | C23 | 91.3° | 89.8° |
| C17 | N18 | C22 | H221 | 33.9° | 150.2° |
| C17 | N18 | C22 | H222 | 143.4° | 30.2° |
| O19 | C17 | N18 | C20 | 167.8° | 179.7° |
| O19 | C17 | N18 | C22 | 3.9° | 0.1° |
| N18 | C20 | C21 | H201 | 125.2° | 119.7° |
| N18 | C20 | C21 | H202 | 125.3° | 119.8° |
| N18 | C20 | H201 | H202 | 115.0° | 120.5° |
| N18 | C20 | C21 | C24 | 85.7° | 86.5° |
| N18 | C20 | C21 | H211 | 39.5° | 33.8° |
| N18 | C20 | C21 | H212 | 148.9° | 153.2° |
| C20 | N18 | C22 | C23 | 81.3° | 90.0° |
| C20 | N18 | C22 | H221 | 153.5° | 30.0° |
| C20 | N18 | C22 | H222 | 44.0° | 150.0° |
| C22 | N18 | C20 | C21 | 122.0° | 108.0° |
| C22 | N18 | C20 | H201 | 3.2° | 11.7° |
| C22 | N18 | C20 | H202 | 112.8° | 132.2° |
| N18 | C22 | C23 | H221 | 125.2° | 119.9° |
| N18 | C22 | C23 | H222 | 125.3° | 120.0° |
| N18 | C22 | H221 | H222 | 120.4° | 120.0° |
| N18 | C22 | C23 | C26 | 111.4° | 90.3° |
| N18 | C22 | C23 | C30 | 59.3° | 90.0° |
| C21 | C20 | H201 | H202 | 114.9° | 120.4° |
| C20 | C21 | C24 | H211 | 125.3° | 120.3° |
| C20 | C21 | C24 | H212 | 125.3° | 120.4° |
| C20 | C21 | H211 | H212 | 116.7° | 119.3° |
| C20 | C21 | C24 | C25 | 70.9° | 67.0° |
| C20 | C21 | C24 | H241 | 163.9° | 171.9° |
| C20 | C21 | C24 | H242 | 54.4° | 54.1° |
| H201 | C20 | C21 | C24 | 149.0° | 153.8° |
| H201 | C20 | C21 | H211 | 85.7° | 85.9° |
| H201 | C20 | C21 | H212 | 23.7° | 33.4° |
| H202 | C20 | C21 | C24 | 39.5° | 33.3° |
| H202 | C20 | C21 | H211 | 164.8° | 153.6° |
| H202 | C20 | C21 | H212 | 85.8° | 87.1° |
| C24 | C21 | H211 | H212 | 116.7° | 119.3° |
| C21 | C24 | C25 | H241 | 125.2° | 121.1° |
| C21 | C24 | C25 | H242 | 125.3° | 121.1° |
| C21 | C24 | H241 | H242 | 116.2° | 117.8° |
| C21 | C24 | C25 | H251 | 178.4° | 53.5° |
| C21 | C24 | C25 | H252 | 69.0° | 172.9° |
| H211 | C21 | C24 | C25 | 54.4° | 53.3° |
| H211 | C21 | C24 | H241 | 70.8° | 67.8° |
| H211 | C21 | C24 | H242 | 179.7° | 174.5° |
| H212 | C21 | C24 | C25 | 163.8° | 172.6° |
| H212 | C21 | C24 | H241 | 38.6° | 51.5° |
| H212 | C21 | C24 | H242 | 70.9° | 66.2° |
| C23 | C22 | H221 | H222 | 120.3° | 120.1° |
| C22 | C23 | C26 | C30 | 170.4° | 179.7° |
| C22 | C23 | C26 | C27 | 168.6° | 179.8° |
| C22 | C23 | C26 | H26 | 11.4° | 0.3° |
| C22 | C23 | C30 | C29 | 167.0° | 180.0° |
| C22 | C23 | C30 | H30 | 13.0° | 0.1° |
| H221 | C22 | C23 | C26 | 123.4° | 29.7° |
| H221 | C22 | C23 | C30 | 66.0° | 150.0° |
| H222 | C22 | C23 | C26 | 13.9° | 149.7° |
| H222 | C22 | C23 | C30 | 175.5° | 30.0° |
| C23 | C26 | C27 | H26 | 180.0° | 179.5° |
| C23 | C26 | C27 | C28 | 0.3° | 0.5° |
| C23 | C26 | C27 | H27 | 179.7° | 179.7° |
| C26 | C23 | C30 | C29 | 3.2° | 0.3° |
| C26 | C23 | C30 | H30 | 176.7° | 179.7° |
| C30 | C23 | C26 | C27 | 1.7° | 0.5° |
| C30 | C23 | C26 | H26 | 178.3° | 180.0° |
| C23 | C30 | C29 | C28 | 2.6° | 0.0° |
| C23 | C30 | C29 | H30 | 180.0° | 180.0° |
| C23 | C30 | C29 | H29 | 177.4° | 180.0° |
| C25 | C24 | H241 | H242 | 116.2° | 117.9° |
| C24 | C25 | H251 | H252 | 115.6° | 119.4° |
| H241 | C24 | C25 | H251 | 53.2° | 67.6° |
| H241 | C24 | C25 | H252 | 56.2° | 51.8° |
| H242 | C24 | C25 | H251 | 56.3° | 174.6° |
| H242 | C24 | C25 | H252 | 165.7° | 66.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.8° |
| C26 | C27 | C28 | C29 | 0.8° | 0.2° |
| C26 | C27 | C28 | C31 | 168.0° | 179.7° |
| H26 | C26 | C27 | C28 | 179.7° | 180.0° |
| H26 | C26 | C27 | H27 | 0.3° | 0.2° |
| C27 | C28 | C29 | C31 | 167.8° | 179.9° |
| C27 | C28 | C29 | C30 | 0.7° | 0.0° |
| C27 | C28 | C29 | H29 | 179.3° | 179.9° |
| C27 | C28 | C31 | C32 | 147.6° | 140.0° |
| C27 | C28 | C31 | C36 | 34.0° | 39.7° |
| H27 | C27 | C28 | C29 | 179.2° | 180.0° |
| H27 | C27 | C28 | C31 | 12.0° | 0.1° |
| C28 | C29 | C30 | H29 | 180.0° | 179.9° |
| C28 | C29 | C30 | H30 | 177.3° | 180.0° |
| C29 | C28 | C31 | C32 | 44.9° | 40.1° |
| C29 | C28 | C31 | C36 | 133.6° | 140.3° |
| C31 | C28 | C29 | C30 | 167.1° | 180.0° |
| C31 | C28 | C29 | H29 | 12.9° | 0.0° |
| C28 | C31 | C32 | C36 | 178.3° | 179.7° |
| C28 | C31 | C32 | C33 | 172.8° | 179.7° |
| C28 | C31 | C32 | H32 | 7.2° | 0.4° |
| C28 | C31 | C36 | C35 | 174.4° | 180.0° |
| C28 | C31 | C36 | H36 | 5.6° | 0.0° |
| H29 | C29 | C30 | H30 | 2.6° | 0.1° |
| C31 | C32 | C33 | H32 | 180.0° | 179.3° |
| C31 | C32 | C33 | C34 | 1.0° | 0.6° |
| C31 | C32 | C33 | H33 | 179.0° | 179.7° |
| C32 | C31 | C36 | C35 | 7.3° | 0.3° |
| C32 | C31 | C36 | H36 | 172.7° | 179.7° |
| C36 | C31 | C32 | C33 | 8.9° | 0.6° |
| C36 | C31 | C32 | H32 | 171.1° | 180.0° |
| C31 | C36 | C35 | C34 | 1.7° | 0.0° |
| C31 | C36 | C35 | H36 | 180.0° | 180.0° |
| C31 | C36 | C35 | H35 | 178.3° | 180.0° |
| C32 | C33 | C34 | H33 | 180.0° | 179.7° |
| C32 | C33 | C34 | C35 | 7.6° | 0.3° |
| C32 | C33 | C34 | H34 | 172.4° | 179.7° |
| H32 | C32 | C33 | C34 | 179.0° | 180.0° |
| H32 | C32 | C33 | H33 | 1.0° | 0.3° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 9.3° | 0.0° |
| C33 | C34 | C35 | H35 | 170.7° | 180.0° |
| H33 | C33 | C34 | C35 | 172.4° | 180.0° |
| H33 | C33 | C34 | H34 | 7.6° | 0.1° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | H36 | 178.3° | 180.0° |
| H34 | C34 | C35 | C36 | 170.7° | 179.9° |
| H34 | C34 | C35 | H35 | 9.3° | 0.1° |
| H35 | C35 | C36 | H36 | 1.7° | 0.0° |
| C37 | O38 | C81 | H811 | 180.0° | 180.0° |
| C37 | O38 | C81 | H812 | 54.7° | 60.0° |
| C37 | O38 | C81 | H813 | 54.8° | 60.0° |
| O39 | C37 | O38 | C81 | 10.1° | 0.0° |
| O38 | C81 | H811 | H812 | 125.3° | 120.0° |
| O38 | C81 | H811 | H813 | 125.2° | 120.0° |
| O38 | C81 | H812 | H813 | 101.3° | 120.0° |
| C41 | C40 | C75 | F80 | 86.7° | 120.0° |
| C40 | C41 | O42 | O43 | 172.4° | 180.0° |
| C40 | C41 | O42 | H42 | 180.0° | 180.0° |
| C41 | C40 | C75 | O76 | 93.1° | 60.0° |
| C41 | C40 | C75 | O77 | 78.7° | 120.0° |
| C75 | C40 | C41 | O42 | 65.9° | 49.8° |
| C75 | C40 | C41 | O43 | 107.5° | 130.2° |
| C40 | C75 | O76 | O77 | 173.5° | 180.0° |
| C40 | C75 | O76 | H76 | 179.9° | 180.0° |
| F80 | C40 | C41 | O42 | 170.0° | 169.7° |
| F80 | C40 | C41 | O43 | 16.7° | 10.3° |
| F80 | C40 | C75 | O76 | 6.4° | 60.0° |
| F80 | C40 | C75 | O77 | 165.4° | 120.0° |
| O43 | C41 | O42 | H42 | 7.6° | 0.0° |
| O77 | C75 | O76 | H76 | 6.6° | 0.0° |
| H811 | C81 | H812 | H813 | 101.4° | 120.0° |
