A1E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C6 | sing | 1.53Å | 1.53Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12A | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.57Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.51Å | 1.54Å | |
| C3 | N12 | sing | 1.47Å | 1.49Å | |
| C3 | H3 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | doub | 1.35Å | 1.39Å | Aromatic |
| C4 | C7 | sing | 1.41Å | 1.51Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C5 | N10 | sing | 1.37Å | 1.37Å | Aromatic |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C7 | C8 | doub | 1.36Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C9 | sing | 1.41Å | 1.52Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | N10 | sing | 1.34Å | 1.36Å | Aromatic |
| C9 | O11 | doub | 1.22Å | 1.19Å | |
| N10 | H10 | sing | 0.97Å | 1.02Å | |
| N12 | C13 | sing | 1.47Å | 1.49Å | |
| N12 | H12 | sing | 1.01Å | 1.02Å | |
| C13 | C14 | sing | 1.53Å | 1.50Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C14 | C15 | sing | 1.53Å | 1.50Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C17 | H172 | sing | 1.09Å | 1.11Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.11Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| C22 | N23 | sing | 1.47Å | 1.47Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| N23 | C24 | sing | 1.39Å | 1.42Å | |
| N23 | H23 | sing | 1.01Å | 1.02Å | |
| C24 | C25 | sing | 1.41Å | 1.48Å | Aromatic |
| C24 | C29 | doub | 1.39Å | 1.44Å | Aromatic |
| C25 | C26 | doub | 1.41Å | 1.44Å | Aromatic |
| C25 | C30 | sing | 1.40Å | 1.47Å | Aromatic |
| C26 | N27 | sing | 1.33Å | 1.42Å | Aromatic |
| C26 | C33 | sing | 1.41Å | 1.45Å | Aromatic |
| N27 | C28 | doub | 1.32Å | 1.33Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.46Å | Aromatic |
| C28 | C34 | sing | 1.51Å | 1.55Å | |
| C29 | C37 | sing | 1.51Å | 1.54Å | |
| C30 | C31 | doub | 1.36Å | 1.40Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.10Å | |
| C31 | C32 | sing | 1.39Å | 1.43Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.10Å | |
| C32 | C33 | doub | 1.36Å | 1.40Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| C34 | C35 | sing | 1.53Å | 1.56Å | |
| C34 | H341 | sing | 1.09Å | 1.11Å | |
| C34 | H342 | sing | 1.09Å | 1.11Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C35 | H351 | sing | 1.09Å | 1.11Å | |
| C35 | H352 | sing | 1.09Å | 1.12Å | |
| C36 | C37 | sing | 1.53Å | 1.57Å | |
| C36 | H361 | sing | 1.09Å | 1.12Å | |
| C36 | H362 | sing | 1.09Å | 1.12Å | |
| C37 | H371 | sing | 1.09Å | 1.12Å | |
| C37 | H372 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 109.5° | 108.3° |
| C2 | C1 | H11 | 112.2° | 109.7° |
| C2 | C1 | H12A | 112.2° | 109.7° |
| C1 | C2 | C3 | 111.5° | 108.2° |
| C1 | C2 | H21 | 111.5° | 109.7° |
| C1 | C2 | H22 | 111.5° | 109.7° |
| C6 | C1 | H11 | 112.2° | 109.7° |
| C6 | C1 | H12A | 112.2° | 109.7° |
| C1 | C6 | C5 | 112.8° | 110.7° |
| C1 | C6 | H61 | 111.0° | 109.2° |
| C1 | C6 | H62 | 111.0° | 109.2° |
| H11 | C1 | H12A | 98.2° | 109.7° |
| C3 | C2 | H21 | 111.4° | 109.7° |
| C3 | C2 | H22 | 111.4° | 109.8° |
| C2 | C3 | C4 | 111.0° | 110.7° |
| C2 | C3 | N12 | 100.3° | 109.2° |
| C2 | C3 | H3 | 114.7° | 109.2° |
| H21 | C2 | H22 | 99.0° | 109.7° |
| C4 | C3 | N12 | 110.3° | 109.3° |
| C4 | C3 | H3 | 105.3° | 109.2° |
| C3 | C4 | C5 | 120.1° | 123.0° |
| C3 | C4 | C7 | 123.1° | 117.4° |
| N12 | C3 | H3 | 115.3° | 109.2° |
| C3 | N12 | C13 | 117.2° | 106.7° |
| C3 | N12 | H12 | 109.4° | 106.7° |
| C5 | C4 | C7 | 116.8° | 119.7° |
| C4 | C5 | C6 | 124.5° | 122.7° |
| C4 | C5 | N10 | 119.8° | 120.1° |
| C4 | C7 | C8 | 122.3° | 119.9° |
| C4 | C7 | H7 | 123.2° | 120.0° |
| C6 | C5 | N10 | 115.6° | 117.1° |
| C5 | C6 | H61 | 111.0° | 109.2° |
| C5 | C6 | H62 | 110.9° | 109.2° |
| C5 | N10 | C9 | 127.8° | 121.6° |
| C5 | N10 | H10 | 116.3° | 119.3° |
| H61 | C6 | H62 | 99.4° | 109.2° |
| C8 | C7 | H7 | 114.5° | 120.1° |
| C7 | C8 | C9 | 117.9° | 119.0° |
| C7 | C8 | H8 | 116.8° | 120.5° |
| C9 | C8 | H8 | 125.4° | 120.5° |
| C8 | C9 | N10 | 115.5° | 119.7° |
| C8 | C9 | O11 | 125.3° | 120.1° |
| N10 | C9 | O11 | 119.2° | 120.2° |
| C9 | N10 | H10 | 115.8° | 119.2° |
| C13 | N12 | H12 | 109.4° | 106.7° |
| N12 | C13 | C14 | 101.5° | 109.5° |
| N12 | C13 | H131 | 115.3° | 109.5° |
| N12 | C13 | H132 | 115.3° | 109.5° |
| C14 | C13 | H131 | 115.2° | 109.5° |
| C14 | C13 | H132 | 115.2° | 109.4° |
| C13 | C14 | C15 | 111.3° | 109.5° |
| C13 | C14 | H141 | 111.6° | 109.5° |
| C13 | C14 | H142 | 111.5° | 109.5° |
| H131 | C13 | H132 | 95.2° | 109.5° |
| C15 | C14 | H141 | 111.6° | 109.5° |
| C15 | C14 | H142 | 111.5° | 109.5° |
| C14 | C15 | C16 | 109.8° | 109.5° |
| C14 | C15 | H151 | 112.1° | 109.5° |
| C14 | C15 | H152 | 112.1° | 109.5° |
| H141 | C14 | H142 | 98.8° | 109.5° |
| C16 | C15 | H151 | 112.0° | 109.4° |
| C16 | C15 | H152 | 112.1° | 109.5° |
| C15 | C16 | C17 | 111.8° | 109.5° |
| C15 | C16 | H161 | 111.3° | 109.4° |
| C15 | C16 | H162 | 111.4° | 109.5° |
| H151 | C15 | H152 | 98.4° | 109.4° |
| C17 | C16 | H161 | 111.4° | 109.5° |
| C17 | C16 | H162 | 111.4° | 109.5° |
| C16 | C17 | C18 | 107.7° | 109.5° |
| C16 | C17 | H171 | 112.9° | 109.5° |
| C16 | C17 | H172 | 112.8° | 109.5° |
| H161 | C16 | H162 | 98.9° | 109.4° |
| C18 | C17 | H171 | 112.9° | 109.4° |
| C18 | C17 | H172 | 112.9° | 109.5° |
| C17 | C18 | C19 | 114.7° | 109.5° |
| C17 | C18 | H181 | 110.3° | 109.4° |
| C17 | C18 | H182 | 110.2° | 109.5° |
| H171 | C17 | H172 | 97.6° | 109.4° |
| C19 | C18 | H181 | 110.3° | 109.5° |
| C19 | C18 | H182 | 110.3° | 109.5° |
| C18 | C19 | C20 | 110.9° | 109.5° |
| C18 | C19 | H191 | 111.7° | 109.5° |
| C18 | C19 | H192 | 111.7° | 109.5° |
| H181 | C18 | H182 | 99.9° | 109.4° |
| C20 | C19 | H191 | 111.7° | 109.4° |
| C20 | C19 | H192 | 111.7° | 109.5° |
| C19 | C20 | C21 | 114.5° | 109.5° |
| C19 | C20 | H201 | 110.4° | 109.4° |
| C19 | C20 | H202 | 110.4° | 109.5° |
| H191 | C19 | H192 | 98.7° | 109.4° |
| C21 | C20 | H201 | 110.3° | 109.5° |
| C21 | C20 | H202 | 110.4° | 109.5° |
| C20 | C21 | C22 | 108.2° | 109.5° |
| C20 | C21 | H211 | 112.7° | 109.5° |
| C20 | C21 | H212 | 112.7° | 109.5° |
| H201 | C20 | H202 | 99.9° | 109.4° |
| C22 | C21 | H211 | 112.7° | 109.4° |
| C22 | C21 | H212 | 112.7° | 109.5° |
| C21 | C22 | N23 | 117.2° | 109.5° |
| C21 | C22 | H221 | 109.4° | 109.4° |
| C21 | C22 | H222 | 109.4° | 109.5° |
| H211 | C21 | H212 | 97.8° | 109.4° |
| N23 | C22 | H221 | 109.4° | 109.5° |
| N23 | C22 | H222 | 109.4° | 109.4° |
| C22 | N23 | C24 | 130.9° | 106.7° |
| C22 | N23 | H23 | 104.8° | 106.7° |
| H221 | C22 | H222 | 100.7° | 109.4° |
| C24 | N23 | H23 | 104.8° | 106.8° |
| N23 | C24 | C25 | 119.5° | 120.8° |
| N23 | C24 | C29 | 119.6° | 120.8° |
| C25 | C24 | C29 | 120.8° | 118.4° |
| C24 | C25 | C26 | 115.8° | 118.6° |
| C24 | C25 | C30 | 129.4° | 121.6° |
| C24 | C29 | C28 | 118.0° | 119.7° |
| C24 | C29 | C37 | 123.9° | 117.5° |
| C26 | C25 | C30 | 114.8° | 119.7° |
| C25 | C26 | N27 | 122.1° | 119.7° |
| C25 | C26 | C33 | 121.5° | 119.0° |
| C25 | C30 | C31 | 123.2° | 119.6° |
| C25 | C30 | H30 | 120.9° | 120.2° |
| N27 | C26 | C33 | 116.3° | 121.2° |
| C26 | N27 | C28 | 121.2° | 122.6° |
| C26 | C33 | C32 | 121.3° | 119.7° |
| C26 | C33 | H33 | 121.2° | 120.1° |
| N27 | C28 | C29 | 122.0° | 121.0° |
| N27 | C28 | C34 | 114.3° | 117.0° |
| C29 | C28 | C34 | 123.7° | 122.1° |
| C28 | C29 | C37 | 118.1° | 122.8° |
| C28 | C34 | C35 | 111.8° | 110.6° |
| C28 | C34 | H341 | 111.4° | 109.2° |
| C28 | C34 | H342 | 111.4° | 109.3° |
| C29 | C37 | C36 | 115.4° | 110.6° |
| C29 | C37 | H371 | 110.1° | 109.2° |
| C29 | C37 | H372 | 110.1° | 109.3° |
| C31 | C30 | H30 | 115.9° | 120.2° |
| C30 | C31 | C32 | 120.3° | 120.8° |
| C30 | C31 | H31 | 118.6° | 119.6° |
| C32 | C31 | H31 | 121.1° | 119.6° |
| C31 | C32 | C33 | 118.9° | 121.1° |
| C31 | C32 | H32 | 121.8° | 119.5° |
| C33 | C32 | H32 | 119.3° | 119.5° |
| C32 | C33 | H33 | 117.5° | 120.1° |
| C35 | C34 | H341 | 111.3° | 109.2° |
| C35 | C34 | H342 | 111.3° | 109.3° |
| C34 | C35 | C36 | 110.5° | 108.4° |
| C34 | C35 | H351 | 111.9° | 109.6° |
| C34 | C35 | H352 | 111.9° | 109.6° |
| H341 | C34 | H342 | 99.0° | 109.2° |
| C36 | C35 | H351 | 111.8° | 109.6° |
| C36 | C35 | H352 | 111.8° | 109.7° |
| C35 | C36 | C37 | 110.5° | 108.3° |
| C35 | C36 | H361 | 111.8° | 109.7° |
| C35 | C36 | H362 | 111.8° | 109.7° |
| H351 | C35 | H352 | 98.5° | 109.8° |
| C37 | C36 | H361 | 111.8° | 109.8° |
| C37 | C36 | H362 | 111.9° | 109.7° |
| C36 | C37 | H371 | 110.0° | 109.2° |
| C36 | C37 | H372 | 110.0° | 109.2° |
| H361 | C36 | H362 | 98.5° | 109.7° |
| H371 | C37 | H372 | 100.1° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H11 | 125.3° | 119.7° |
| C2 | C1 | C6 | H12A | 125.2° | 119.7° |
| C2 | C1 | H11 | H12A | 118.1° | 120.6° |
| C1 | C2 | C3 | H21 | 125.3° | 119.7° |
| C1 | C2 | C3 | H22 | 125.2° | 119.7° |
| C1 | C2 | H21 | H22 | 117.4° | 120.6° |
| C1 | C2 | C3 | C4 | 49.4° | 50.7° |
| C1 | C2 | C3 | N12 | 166.1° | 171.1° |
| C1 | C2 | C3 | H3 | 69.8° | 69.5° |
| C2 | C1 | C6 | C5 | 45.2° | 50.9° |
| C2 | C1 | C6 | H61 | 80.0° | 171.2° |
| C2 | C1 | C6 | H62 | 170.5° | 69.4° |
| C6 | C1 | H11 | H12A | 118.1° | 120.6° |
| C6 | C1 | C2 | C3 | 64.0° | 68.9° |
| C6 | C1 | C2 | H21 | 170.7° | 50.7° |
| C6 | C1 | C2 | H22 | 61.2° | 171.4° |
| C1 | C6 | C5 | C4 | 15.0° | 18.3° |
| C1 | C6 | C5 | H61 | 125.3° | 120.3° |
| C1 | C6 | C5 | H62 | 125.3° | 120.3° |
| C1 | C6 | C5 | N10 | 165.5° | 162.1° |
| C1 | C6 | H61 | H62 | 116.9° | 119.4° |
| H11 | C1 | C2 | C3 | 170.7° | 171.4° |
| H11 | C1 | C2 | H21 | 45.5° | 69.0° |
| H11 | C1 | C2 | H22 | 64.1° | 51.6° |
| H11 | C1 | C6 | C5 | 170.5° | 170.6° |
| H11 | C1 | C6 | H61 | 45.3° | 69.1° |
| H11 | C1 | C6 | H62 | 64.2° | 50.3° |
| H12A | C1 | C2 | C3 | 61.2° | 50.8° |
| H12A | C1 | C2 | H21 | 64.0° | 170.4° |
| H12A | C1 | C2 | H22 | 173.6° | 69.0° |
| H12A | C1 | C6 | C5 | 80.0° | 68.8° |
| H12A | C1 | C6 | H61 | 154.7° | 51.5° |
| H12A | C1 | C6 | H62 | 45.2° | 170.8° |
| C3 | C2 | H21 | H22 | 117.3° | 120.7° |
| C2 | C3 | C4 | N12 | 110.3° | 120.3° |
| C2 | C3 | C4 | H3 | 124.7° | 120.3° |
| C2 | C3 | N12 | H3 | 123.7° | 119.4° |
| C2 | C3 | C4 | C5 | 17.9° | 18.2° |
| C2 | C3 | C4 | C7 | 163.6° | 162.1° |
| C2 | C3 | N12 | C13 | 89.0° | 84.4° |
| C2 | C3 | N12 | H12 | 145.8° | 29.4° |
| H21 | C2 | C3 | C4 | 174.7° | 68.9° |
| H21 | C2 | C3 | N12 | 68.7° | 51.4° |
| H21 | C2 | C3 | H3 | 55.5° | 170.8° |
| H22 | C2 | C3 | C4 | 75.8° | 170.4° |
| H22 | C2 | C3 | N12 | 40.8° | 69.2° |
| H22 | C2 | C3 | H3 | 164.9° | 50.2° |
| C4 | C3 | N12 | H3 | 119.1° | 119.4° |
| C3 | C4 | C5 | C7 | 178.6° | 179.7° |
| C3 | C4 | C5 | C6 | 1.3° | 1.5° |
| C3 | C4 | C5 | N10 | 179.2° | 178.9° |
| C3 | C4 | C7 | C8 | 178.9° | 179.6° |
| C3 | C4 | C7 | H7 | 1.1° | 0.6° |
| C4 | C3 | N12 | C13 | 153.8° | 154.4° |
| C4 | C3 | N12 | H12 | 28.6° | 91.8° |
| N12 | C3 | C4 | C5 | 128.2° | 138.5° |
| N12 | C3 | C4 | C7 | 53.4° | 41.8° |
| C3 | N12 | C13 | H12 | 125.2° | 113.8° |
| C3 | N12 | C13 | C14 | 108.5° | 174.8° |
| C3 | N12 | C13 | H131 | 16.7° | 54.8° |
| C3 | N12 | C13 | H132 | 126.2° | 65.3° |
| H3 | C3 | C4 | C5 | 106.8° | 102.0° |
| H3 | C3 | C4 | C7 | 71.7° | 77.6° |
| H3 | C3 | N12 | C13 | 34.7° | 35.0° |
| H3 | C3 | N12 | H12 | 90.5° | 148.8° |
| C4 | C5 | C6 | N10 | 179.5° | 179.6° |
| C4 | C5 | C6 | H61 | 110.3° | 138.6° |
| C4 | C5 | C6 | H62 | 140.3° | 102.0° |
| C5 | C4 | C7 | C8 | 0.4° | 0.1° |
| C5 | C4 | C7 | H7 | 179.6° | 179.7° |
| C4 | C5 | N10 | C9 | 0.4° | 0.7° |
| C4 | C5 | N10 | H10 | 179.7° | 179.3° |
| C7 | C4 | C5 | C6 | 179.8° | 178.8° |
| C7 | C4 | C5 | N10 | 0.7° | 0.8° |
| C4 | C7 | C8 | H7 | 180.0° | 179.8° |
| C4 | C7 | C8 | C9 | 0.2° | 0.7° |
| C4 | C7 | C8 | H8 | 179.8° | 179.9° |
| C5 | C6 | H61 | H62 | 116.8° | 119.4° |
| C6 | C5 | N10 | C9 | 179.9° | 178.9° |
| C6 | C5 | N10 | H10 | 0.1° | 1.2° |
| N10 | C5 | C6 | H61 | 69.2° | 41.8° |
| N10 | C5 | C6 | H62 | 40.2° | 77.6° |
| C5 | N10 | C9 | C8 | 0.2° | 0.0° |
| C5 | N10 | C9 | H10 | 180.0° | 180.0° |
| C5 | N10 | C9 | O11 | 179.9° | 179.8° |
| C7 | C8 | C9 | H8 | 179.9° | 179.4° |
| C7 | C8 | C9 | N10 | 0.5° | 0.7° |
| C7 | C8 | C9 | O11 | 179.7° | 179.5° |
| H7 | C7 | C8 | C9 | 179.9° | 179.6° |
| H7 | C7 | C8 | H8 | 0.2° | 0.1° |
| C8 | C9 | N10 | O11 | 179.8° | 179.7° |
| C8 | C9 | N10 | H10 | 179.7° | 180.0° |
| H8 | C8 | C9 | N10 | 179.4° | 179.8° |
| H8 | C8 | C9 | O11 | 0.4° | 0.1° |
| O11 | C9 | N10 | H10 | 0.1° | 0.2° |
| N12 | C13 | C14 | H131 | 125.2° | 120.0° |
| N12 | C13 | C14 | H132 | 125.3° | 120.0° |
| N12 | C13 | H131 | H132 | 121.1° | 120.0° |
| N12 | C13 | C14 | C15 | 150.5° | 180.0° |
| N12 | C13 | C14 | H141 | 84.2° | 60.0° |
| N12 | C13 | C14 | H142 | 25.3° | 60.0° |
| H12 | N12 | C13 | C14 | 16.7° | 71.4° |
| H12 | N12 | C13 | H131 | 142.0° | 168.6° |
| H12 | N12 | C13 | H132 | 108.5° | 48.5° |
| C14 | C13 | H131 | H132 | 121.1° | 120.0° |
| C13 | C14 | C15 | H141 | 125.3° | 120.0° |
| C13 | C14 | C15 | H142 | 125.3° | 120.0° |
| C13 | C14 | H141 | H142 | 117.4° | 120.0° |
| C13 | C14 | C15 | C16 | 177.6° | 180.0° |
| C13 | C14 | C15 | H151 | 52.4° | 60.0° |
| C13 | C14 | C15 | H152 | 57.1° | 60.0° |
| H131 | C13 | C14 | C15 | 25.3° | 60.0° |
| H131 | C13 | C14 | H141 | 150.6° | 180.0° |
| H131 | C13 | C14 | H142 | 100.0° | 60.0° |
| H132 | C13 | C14 | C15 | 84.2° | 60.0° |
| H132 | C13 | C14 | H141 | 41.1° | 60.0° |
| H132 | C13 | C14 | H142 | 150.6° | 180.0° |
| C15 | C14 | H141 | H142 | 117.4° | 120.0° |
| C14 | C15 | C16 | H151 | 125.3° | 120.0° |
| C14 | C15 | C16 | H152 | 125.3° | 120.0° |
| C14 | C15 | H151 | H152 | 118.0° | 120.0° |
| C14 | C15 | C16 | C17 | 45.5° | 180.0° |
| C14 | C15 | C16 | H161 | 79.8° | 60.0° |
| C14 | C15 | C16 | H162 | 170.8° | 59.9° |
| H141 | C14 | C15 | C16 | 57.1° | 60.0° |
| H141 | C14 | C15 | H151 | 177.6° | 180.0° |
| H141 | C14 | C15 | H152 | 68.1° | 60.0° |
| H142 | C14 | C15 | C16 | 52.3° | 60.0° |
| H142 | C14 | C15 | H151 | 72.9° | 60.0° |
| H142 | C14 | C15 | H152 | 177.6° | 180.0° |
| C16 | C15 | H151 | H152 | 118.0° | 120.0° |
| C15 | C16 | C17 | H161 | 125.3° | 120.0° |
| C15 | C16 | C17 | H162 | 125.3° | 120.1° |
| C15 | C16 | H161 | H162 | 117.2° | 119.9° |
| C15 | C16 | C17 | C18 | 102.5° | 180.0° |
| C15 | C16 | C17 | H171 | 22.8° | 60.0° |
| C15 | C16 | C17 | H172 | 132.2° | 59.9° |
| H151 | C15 | C16 | C17 | 170.7° | 60.0° |
| H151 | C15 | C16 | H161 | 45.4° | 180.0° |
| H151 | C15 | C16 | H162 | 64.0° | 60.1° |
| H152 | C15 | C16 | C17 | 79.8° | 59.9° |
| H152 | C15 | C16 | H161 | 154.9° | 60.0° |
| H152 | C15 | C16 | H162 | 45.5° | 180.0° |
| C17 | C16 | H161 | H162 | 117.3° | 120.0° |
| C16 | C17 | C18 | H171 | 125.3° | 120.0° |
| C16 | C17 | C18 | H172 | 125.2° | 120.1° |
| C16 | C17 | H171 | H172 | 118.7° | 120.0° |
| C16 | C17 | C18 | C19 | 84.0° | 180.0° |
| C16 | C17 | C18 | H181 | 150.7° | 60.0° |
| C16 | C17 | C18 | H182 | 41.3° | 59.9° |
| H161 | C16 | C17 | C18 | 132.2° | 60.0° |
| H161 | C16 | C17 | H171 | 102.5° | 180.0° |
| H161 | C16 | C17 | H172 | 6.9° | 60.1° |
| H162 | C16 | C17 | C18 | 22.8° | 59.9° |
| H162 | C16 | C17 | H171 | 148.1° | 60.0° |
| H162 | C16 | C17 | H172 | 102.5° | 180.0° |
| C18 | C17 | H171 | H172 | 118.8° | 120.0° |
| C17 | C18 | C19 | H181 | 125.3° | 120.0° |
| C17 | C18 | C19 | H182 | 125.2° | 120.1° |
| C17 | C18 | H181 | H182 | 116.1° | 119.9° |
| C17 | C18 | C19 | C20 | 106.8° | 180.0° |
| C17 | C18 | C19 | H191 | 18.4° | 60.0° |
| C17 | C18 | C19 | H192 | 127.9° | 59.9° |
| H171 | C17 | C18 | C19 | 41.3° | 60.0° |
| H171 | C17 | C18 | H181 | 84.0° | 180.0° |
| H171 | C17 | C18 | H182 | 166.6° | 60.1° |
| H172 | C17 | C18 | C19 | 150.8° | 59.9° |
| H172 | C17 | C18 | H181 | 25.5° | 60.0° |
| H172 | C17 | C18 | H182 | 83.9° | 180.0° |
| C19 | C18 | H181 | H182 | 116.2° | 120.0° |
| C18 | C19 | C20 | H191 | 125.2° | 120.0° |
| C18 | C19 | C20 | H192 | 125.3° | 120.1° |
| C18 | C19 | H191 | H192 | 117.6° | 120.0° |
| C18 | C19 | C20 | C21 | 60.5° | 180.0° |
| C18 | C19 | C20 | H201 | 64.7° | 60.0° |
| C18 | C19 | C20 | H202 | 174.2° | 59.9° |
| H181 | C18 | C19 | C20 | 127.9° | 60.0° |
| H181 | C18 | C19 | H191 | 106.9° | 180.0° |
| H181 | C18 | C19 | H192 | 2.6° | 60.0° |
| H182 | C18 | C19 | C20 | 18.5° | 59.9° |
| H182 | C18 | C19 | H191 | 143.7° | 60.0° |
| H182 | C18 | C19 | H192 | 106.8° | 180.0° |
| C20 | C19 | H191 | H192 | 117.6° | 119.9° |
| C19 | C20 | C21 | H201 | 125.3° | 120.0° |
| C19 | C20 | C21 | H202 | 125.3° | 120.1° |
| C19 | C20 | H201 | H202 | 116.2° | 120.0° |
| C19 | C20 | C21 | C22 | 167.1° | 180.0° |
| C19 | C20 | C21 | H211 | 41.9° | 60.0° |
| C19 | C20 | C21 | H212 | 67.6° | 59.9° |
| H191 | C19 | C20 | C21 | 174.2° | 60.0° |
| H191 | C19 | C20 | H201 | 60.6° | 180.0° |
| H191 | C19 | C20 | H202 | 48.9° | 60.0° |
| H192 | C19 | C20 | C21 | 64.7° | 59.9° |
| H192 | C19 | C20 | H201 | 170.0° | 60.1° |
| H192 | C19 | C20 | H202 | 60.6° | 180.0° |
| C21 | C20 | H201 | H202 | 116.2° | 120.0° |
| C20 | C21 | C22 | H211 | 125.3° | 120.0° |
| C20 | C21 | C22 | H212 | 125.2° | 120.1° |
| C20 | C21 | H211 | H212 | 118.6° | 120.0° |
| C20 | C21 | C22 | N23 | 157.1° | 180.0° |
| C20 | C21 | C22 | H221 | 77.7° | 60.0° |
| C20 | C21 | C22 | H222 | 31.8° | 59.9° |
| H201 | C20 | C21 | C22 | 67.6° | 60.0° |
| H201 | C20 | C21 | H211 | 167.1° | 180.0° |
| H201 | C20 | C21 | H212 | 57.6° | 60.0° |
| H202 | C20 | C21 | C22 | 41.8° | 59.9° |
| H202 | C20 | C21 | H211 | 83.4° | 60.1° |
| H202 | C20 | C21 | H212 | 167.1° | 180.0° |
| C22 | C21 | H211 | H212 | 118.6° | 119.9° |
| C21 | C22 | N23 | H221 | 125.3° | 120.0° |
| C21 | C22 | N23 | H222 | 125.3° | 120.1° |
| C21 | C22 | H221 | H222 | 115.2° | 120.0° |
| C21 | C22 | N23 | C24 | 8.3° | 177.7° |
| C21 | C22 | N23 | H23 | 133.6° | 63.8° |
| H211 | C21 | C22 | N23 | 31.8° | 60.0° |
| H211 | C21 | C22 | H221 | 157.0° | 180.0° |
| H211 | C21 | C22 | H222 | 93.5° | 60.0° |
| H212 | C21 | C22 | N23 | 77.7° | 59.9° |
| H212 | C21 | C22 | H221 | 47.6° | 60.1° |
| H212 | C21 | C22 | H222 | 157.0° | 180.0° |
| N23 | C22 | H221 | H222 | 115.2° | 119.9° |
| C22 | N23 | C24 | H23 | 125.3° | 113.8° |
| C22 | N23 | C24 | C25 | 69.9° | 83.5° |
| C22 | N23 | C24 | C29 | 113.3° | 96.2° |
| H221 | C22 | N23 | C24 | 133.6° | 62.3° |
| H221 | C22 | N23 | H23 | 101.1° | 176.2° |
| H222 | C22 | N23 | C24 | 117.0° | 57.6° |
| H222 | C22 | N23 | H23 | 8.3° | 56.2° |
| N23 | C24 | C25 | C29 | 176.8° | 179.7° |
| N23 | C24 | C25 | C26 | 175.7° | 179.7° |
| N23 | C24 | C25 | C30 | 4.0° | 0.5° |
| N23 | C24 | C29 | C28 | 175.9° | 179.9° |
| N23 | C24 | C29 | C37 | 3.3° | 0.2° |
| H23 | N23 | C24 | C25 | 55.4° | 30.3° |
| H23 | N23 | C24 | C29 | 121.4° | 150.0° |
| C24 | C25 | C26 | C30 | 179.8° | 179.1° |
| C24 | C25 | C26 | N27 | 0.5° | 0.6° |
| C24 | C25 | C26 | C33 | 179.1° | 179.6° |
| C25 | C24 | C29 | C28 | 0.9° | 0.2° |
| C25 | C24 | C29 | C37 | 179.9° | 180.0° |
| C24 | C25 | C30 | C31 | 179.4° | 179.6° |
| C24 | C25 | C30 | H30 | 0.6° | 0.6° |
| C29 | C24 | C25 | C26 | 1.1° | 0.6° |
| C29 | C24 | C25 | C30 | 179.2° | 179.7° |
| C24 | C29 | C28 | N27 | 0.1° | 0.2° |
| C24 | C29 | C28 | C37 | 179.2° | 179.8° |
| C24 | C29 | C28 | C34 | 179.4° | 179.7° |
| C24 | C29 | C37 | C36 | 166.8° | 162.7° |
| C24 | C29 | C37 | H371 | 41.6° | 77.0° |
| C24 | C29 | C37 | H372 | 67.9° | 42.5° |
| C25 | C26 | N27 | C33 | 179.6° | 179.8° |
| C25 | C26 | N27 | C28 | 0.3° | 0.2° |
| C26 | C25 | C30 | C31 | 0.3° | 0.5° |
| C26 | C25 | C30 | H30 | 179.6° | 179.8° |
| C25 | C26 | C33 | C32 | 0.6° | 0.2° |
| C25 | C26 | C33 | H33 | 179.4° | 179.7° |
| C30 | C25 | C26 | N27 | 179.7° | 179.7° |
| C30 | C25 | C26 | C33 | 0.7° | 0.5° |
| C25 | C30 | C31 | H30 | 180.0° | 179.7° |
| C25 | C30 | C31 | C32 | 0.1° | 0.2° |
| C25 | C30 | C31 | H31 | 179.9° | 179.7° |
| C26 | N27 | C28 | C29 | 0.5° | 0.3° |
| C26 | N27 | C28 | C34 | 179.9° | 179.7° |
| N27 | C26 | C33 | C32 | 179.8° | 180.0° |
| N27 | C26 | C33 | H33 | 0.2° | 0.0° |
| C33 | C26 | N27 | C28 | 179.9° | 179.9° |
| C26 | C33 | C32 | C31 | 0.1° | 0.1° |
| C26 | C33 | C32 | H33 | 180.0° | 179.9° |
| C26 | C33 | C32 | H32 | 179.9° | 180.0° |
| N27 | C28 | C29 | C34 | 179.5° | 179.9° |
| N27 | C28 | C29 | C37 | 179.3° | 179.6° |
| N27 | C28 | C34 | C35 | 162.0° | 162.2° |
| N27 | C28 | C34 | H341 | 36.7° | 41.9° |
| N27 | C28 | C34 | H342 | 72.8° | 77.5° |
| C29 | C28 | C34 | C35 | 17.6° | 17.9° |
| C29 | C28 | C34 | H341 | 142.8° | 138.2° |
| C29 | C28 | C34 | H342 | 107.7° | 102.5° |
| C28 | C29 | C37 | C36 | 14.0° | 17.4° |
| C28 | C29 | C37 | H371 | 139.3° | 102.8° |
| C28 | C29 | C37 | H372 | 111.3° | 137.7° |
| C34 | C28 | C29 | C37 | 0.2° | 0.5° |
| C28 | C34 | C35 | H341 | 125.3° | 120.2° |
| C28 | C34 | C35 | H342 | 125.2° | 120.4° |
| C28 | C34 | H341 | H342 | 117.3° | 119.4° |
| C28 | C34 | C35 | C36 | 48.8° | 51.5° |
| C28 | C34 | C35 | H351 | 76.4° | 68.1° |
| C28 | C34 | C35 | H352 | 174.1° | 171.2° |
| C29 | C37 | C36 | C35 | 45.7° | 50.9° |
| C29 | C37 | C36 | H371 | 125.3° | 120.3° |
| C29 | C37 | C36 | H372 | 125.3° | 120.3° |
| C29 | C37 | C36 | H361 | 170.9° | 170.7° |
| C29 | C37 | C36 | H362 | 79.6° | 68.7° |
| C29 | C37 | H371 | H372 | 115.9° | 119.5° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.3° | 0.1° |
| C30 | C31 | C32 | H32 | 179.7° | 180.0° |
| H30 | C30 | C31 | C32 | 179.9° | 180.0° |
| H30 | C30 | C31 | H31 | 0.1° | 0.0° |
| C31 | C32 | C33 | H32 | 180.0° | 179.9° |
| C31 | C32 | C33 | H33 | 179.9° | 180.0° |
| H31 | C31 | C32 | C33 | 179.7° | 180.0° |
| H31 | C31 | C32 | H32 | 0.3° | 0.1° |
| H32 | C32 | C33 | H33 | 0.1° | 0.1° |
| C35 | C34 | H341 | H342 | 117.2° | 119.5° |
| C34 | C35 | C36 | H351 | 125.3° | 119.7° |
| C34 | C35 | C36 | H352 | 125.3° | 119.7° |
| C34 | C35 | H351 | H352 | 117.8° | 120.5° |
| C34 | C35 | C36 | C37 | 63.5° | 70.2° |
| C34 | C35 | C36 | H361 | 171.2° | 170.1° |
| C34 | C35 | C36 | H362 | 61.8° | 49.5° |
| H341 | C34 | C35 | C36 | 174.1° | 171.8° |
| H341 | C34 | C35 | H351 | 48.9° | 52.1° |
| H341 | C34 | C35 | H352 | 60.6° | 68.5° |
| H342 | C34 | C35 | C36 | 76.4° | 68.8° |
| H342 | C34 | C35 | H351 | 158.3° | 171.5° |
| H342 | C34 | C35 | H352 | 48.9° | 50.9° |
| C36 | C35 | H351 | H352 | 117.7° | 120.5° |
| C35 | C36 | C37 | H361 | 125.3° | 119.7° |
| C35 | C36 | C37 | H362 | 125.3° | 119.7° |
| C35 | C36 | H361 | H362 | 117.7° | 120.5° |
| C35 | C36 | C37 | H371 | 171.0° | 69.3° |
| C35 | C36 | C37 | H372 | 79.7° | 171.2° |
| H351 | C35 | C36 | C37 | 61.8° | 49.5° |
| H351 | C35 | C36 | H361 | 63.5° | 70.3° |
| H351 | C35 | C36 | H362 | 172.9° | 169.2° |
| H352 | C35 | C36 | C37 | 171.2° | 170.2° |
| H352 | C35 | C36 | H361 | 45.9° | 50.4° |
| H352 | C35 | C36 | H362 | 63.5° | 70.1° |
| C37 | C36 | H361 | H362 | 117.7° | 120.6° |
| C36 | C37 | H371 | H372 | 115.8° | 119.4° |
| H361 | C36 | C37 | H371 | 63.7° | 50.4° |
| H361 | C36 | C37 | H372 | 45.6° | 69.1° |
| H362 | C36 | C37 | H371 | 45.7° | 171.0° |
| H362 | C36 | C37 | H372 | 155.0° | 51.5° |
