A2E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C9 | doub | 1.22Å | 1.31Å | |
| C9 | C8 | sing | 1.41Å | 1.40Å | Aromatic |
| C9 | N10 | sing | 1.34Å | 1.37Å | Aromatic |
| C8 | C7 | doub | 1.36Å | 1.40Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N10 | C5 | sing | 1.37Å | 1.36Å | Aromatic |
| N10 | H10 | sing | 0.97Å | 1.02Å | |
| C5 | C6 | sing | 1.51Å | 1.55Å | |
| C5 | C4 | doub | 1.35Å | 1.47Å | Aromatic |
| C6 | C1 | sing | 1.53Å | 1.52Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C4 | C7 | sing | 1.41Å | 1.41Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.54Å | |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C3 | C2 | sing | 1.53Å | 1.58Å | |
| C3 | N12 | sing | 1.47Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.12Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12A | sing | 1.09Å | 1.12Å | |
| N12 | C13 | sing | 1.47Å | 1.53Å | |
| N12 | H12 | sing | 1.01Å | 1.02Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C17 | C18 | sing | 1.53Å | 1.57Å | |
| C17 | H171 | sing | 1.09Å | 1.12Å | |
| C17 | H172 | sing | 1.09Å | 1.11Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C19 | C20 | sing | 1.53Å | 1.55Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C20 | C21 | sing | 1.53Å | 1.48Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| C22 | N23 | sing | 1.47Å | 1.46Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| N23 | C24 | sing | 1.39Å | 1.42Å | |
| N23 | H23 | sing | 1.01Å | 1.02Å | |
| C24 | C25 | doub | 1.39Å | 1.48Å | Aromatic |
| C24 | C29 | sing | 1.41Å | 1.51Å | Aromatic |
| C25 | C30 | sing | 1.51Å | 1.41Å | |
| C25 | C26 | sing | 1.38Å | 1.44Å | Aromatic |
| C30 | C31 | sing | 1.53Å | 1.38Å | |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C30 | H302 | sing | 1.09Å | 1.11Å | |
| C26 | C33 | sing | 1.51Å | 1.39Å | |
| C26 | N27 | doub | 1.32Å | 1.31Å | Aromatic |
| C33 | C32 | sing | 1.53Å | 1.40Å | |
| C33 | H331 | sing | 1.09Å | 1.12Å | |
| C33 | H332 | sing | 1.09Å | 1.11Å | |
| C32 | C31 | sing | 1.53Å | 1.41Å | |
| C32 | H321 | sing | 1.09Å | 1.12Å | |
| C32 | H322 | sing | 1.09Å | 1.12Å | |
| C31 | H311 | sing | 1.09Å | 1.12Å | |
| C31 | H312 | sing | 1.09Å | 1.12Å | |
| N27 | C28 | sing | 1.33Å | 1.32Å | Aromatic |
| C28 | C34 | sing | 1.41Å | 1.53Å | Aromatic |
| C28 | C29 | doub | 1.42Å | 1.49Å | Aromatic |
| C34 | C35 | doub | 1.36Å | 1.55Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.10Å | |
| C29 | C37 | sing | 1.40Å | 1.49Å | Aromatic |
| C37 | C36 | doub | 1.36Å | 1.53Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.10Å | |
| C36 | C35 | sing | 1.39Å | 1.53Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.10Å | |
| C35 | H35 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C9 | C8 | 120.4° | 120.1° |
| O11 | C9 | N10 | 120.9° | 120.1° |
| C8 | C9 | N10 | 118.7° | 119.7° |
| C9 | C8 | C7 | 120.0° | 119.0° |
| C9 | C8 | H8 | 120.1° | 120.5° |
| C9 | N10 | C5 | 123.9° | 121.6° |
| C9 | N10 | H10 | 118.7° | 119.2° |
| C7 | C8 | H8 | 120.0° | 120.6° |
| C8 | C7 | C4 | 121.4° | 119.9° |
| C8 | C7 | H7 | 119.0° | 120.0° |
| C5 | N10 | H10 | 117.4° | 119.2° |
| N10 | C5 | C6 | 120.7° | 117.2° |
| N10 | C5 | C4 | 119.2° | 120.1° |
| C6 | C5 | C4 | 120.0° | 122.7° |
| C5 | C6 | C1 | 113.7° | 110.7° |
| C5 | C6 | H61 | 110.7° | 109.2° |
| C5 | C6 | H62 | 110.6° | 109.2° |
| C5 | C4 | C7 | 116.8° | 119.7° |
| C5 | C4 | C3 | 121.1° | 123.0° |
| C1 | C6 | H61 | 110.7° | 109.3° |
| C1 | C6 | H62 | 110.6° | 109.2° |
| C6 | C1 | C2 | 111.7° | 108.2° |
| C6 | C1 | H11 | 111.4° | 109.8° |
| C6 | C1 | H12A | 111.4° | 109.7° |
| H61 | C6 | H62 | 99.7° | 109.2° |
| C7 | C4 | C3 | 122.1° | 117.3° |
| C4 | C7 | H7 | 119.6° | 120.1° |
| C4 | C3 | C2 | 115.5° | 110.7° |
| C4 | C3 | N12 | 110.1° | 109.3° |
| C4 | C3 | H3 | 105.1° | 109.3° |
| C2 | C3 | N12 | 110.6° | 109.2° |
| C2 | C3 | H3 | 104.7° | 109.2° |
| C3 | C2 | C1 | 114.8° | 108.2° |
| C3 | C2 | H21 | 110.3° | 109.7° |
| C3 | C2 | H22 | 110.3° | 109.7° |
| N12 | C3 | H3 | 110.6° | 109.2° |
| C3 | N12 | C13 | 115.9° | 106.7° |
| C3 | N12 | H12 | 109.9° | 106.7° |
| C1 | C2 | H21 | 110.3° | 109.7° |
| C1 | C2 | H22 | 110.3° | 109.7° |
| C2 | C1 | H11 | 111.4° | 109.7° |
| C2 | C1 | H12A | 111.4° | 109.7° |
| H21 | C2 | H22 | 100.0° | 109.7° |
| H11 | C1 | H12A | 99.0° | 109.7° |
| C13 | N12 | H12 | 109.9° | 106.7° |
| N12 | C13 | C14 | 108.6° | 109.5° |
| N12 | C13 | H131 | 112.5° | 109.5° |
| N12 | C13 | H132 | 112.5° | 109.5° |
| C14 | C13 | H131 | 112.6° | 109.5° |
| C14 | C13 | H132 | 112.6° | 109.5° |
| C13 | C14 | C15 | 111.8° | 109.5° |
| C13 | C14 | H141 | 111.4° | 109.5° |
| C13 | C14 | H142 | 111.3° | 109.5° |
| H131 | C13 | H132 | 98.0° | 109.4° |
| C15 | C14 | H141 | 111.4° | 109.5° |
| C15 | C14 | H142 | 111.3° | 109.4° |
| C14 | C15 | C16 | 113.8° | 109.5° |
| C14 | C15 | H151 | 110.6° | 109.5° |
| C14 | C15 | H152 | 110.6° | 109.5° |
| H141 | C14 | H142 | 99.0° | 109.5° |
| C16 | C15 | H151 | 110.6° | 109.5° |
| C16 | C15 | H152 | 110.6° | 109.4° |
| C15 | C16 | C17 | 109.0° | 109.5° |
| C15 | C16 | H161 | 112.4° | 109.5° |
| C15 | C16 | H162 | 112.4° | 109.5° |
| H151 | C15 | H152 | 99.7° | 109.4° |
| C17 | C16 | H161 | 112.4° | 109.4° |
| C17 | C16 | H162 | 112.4° | 109.4° |
| C16 | C17 | C18 | 115.2° | 109.5° |
| C16 | C17 | H171 | 110.1° | 109.5° |
| C16 | C17 | H172 | 110.1° | 109.4° |
| H161 | C16 | H162 | 98.0° | 109.5° |
| C18 | C17 | H171 | 110.1° | 109.5° |
| C18 | C17 | H172 | 110.1° | 109.5° |
| C17 | C18 | C19 | 113.2° | 109.5° |
| C17 | C18 | H181 | 110.8° | 109.5° |
| C17 | C18 | H182 | 110.9° | 109.5° |
| H171 | C17 | H172 | 100.2° | 109.5° |
| C19 | C18 | H181 | 110.8° | 109.5° |
| C19 | C18 | H182 | 110.9° | 109.4° |
| C18 | C19 | C20 | 112.0° | 109.5° |
| C18 | C19 | H191 | 111.3° | 109.5° |
| C18 | C19 | H192 | 111.3° | 109.5° |
| H181 | C18 | H182 | 99.4° | 109.5° |
| C20 | C19 | H191 | 111.3° | 109.5° |
| C20 | C19 | H192 | 111.3° | 109.4° |
| C19 | C20 | C21 | 108.7° | 109.5° |
| C19 | C20 | H201 | 112.5° | 109.5° |
| C19 | C20 | H202 | 112.5° | 109.5° |
| H191 | C19 | H192 | 99.0° | 109.5° |
| C21 | C20 | H201 | 112.5° | 109.4° |
| C21 | C20 | H202 | 112.5° | 109.4° |
| C20 | C21 | C22 | 117.6° | 109.5° |
| C20 | C21 | H211 | 109.3° | 109.5° |
| C20 | C21 | H212 | 109.2° | 109.4° |
| H201 | C20 | H202 | 97.9° | 109.4° |
| C22 | C21 | H211 | 109.3° | 109.5° |
| C22 | C21 | H212 | 109.3° | 109.5° |
| C21 | C22 | N23 | 110.6° | 109.5° |
| C21 | C22 | H221 | 111.8° | 109.5° |
| C21 | C22 | H222 | 111.8° | 109.5° |
| H211 | C21 | H212 | 100.8° | 109.5° |
| N23 | C22 | H221 | 111.8° | 109.5° |
| N23 | C22 | H222 | 111.8° | 109.5° |
| C22 | N23 | C24 | 128.2° | 106.7° |
| C22 | N23 | H23 | 105.7° | 106.7° |
| H221 | C22 | H222 | 98.7° | 109.4° |
| C24 | N23 | H23 | 105.6° | 106.7° |
| N23 | C24 | C25 | 112.4° | 120.8° |
| N23 | C24 | C29 | 132.0° | 120.8° |
| C25 | C24 | C29 | 115.6° | 118.5° |
| C24 | C25 | C30 | 121.2° | 117.5° |
| C24 | C25 | C26 | 119.8° | 119.7° |
| C24 | C29 | C28 | 116.9° | 118.6° |
| C24 | C29 | C37 | 124.0° | 121.6° |
| C30 | C25 | C26 | 119.0° | 122.8° |
| C25 | C30 | C31 | 120.8° | 110.6° |
| C25 | C30 | H301 | 108.2° | 109.2° |
| C25 | C30 | H302 | 108.2° | 109.3° |
| C25 | C26 | C33 | 119.4° | 122.1° |
| C25 | C26 | N27 | 121.2° | 121.0° |
| C31 | C30 | H301 | 108.1° | 109.2° |
| C31 | C30 | H302 | 108.1° | 109.3° |
| C30 | C31 | C32 | 120.1° | 108.3° |
| C30 | C31 | H311 | 108.4° | 109.7° |
| C30 | C31 | H312 | 108.4° | 109.7° |
| H301 | C30 | H302 | 101.7° | 109.2° |
| C33 | C26 | N27 | 119.3° | 116.9° |
| C26 | C33 | C32 | 120.3° | 110.6° |
| C26 | C33 | H331 | 108.4° | 109.2° |
| C26 | C33 | H332 | 108.4° | 109.3° |
| C26 | N27 | C28 | 125.4° | 122.6° |
| C32 | C33 | H331 | 108.3° | 109.2° |
| C32 | C33 | H332 | 108.3° | 109.2° |
| C33 | C32 | C31 | 120.3° | 108.4° |
| C33 | C32 | H321 | 108.3° | 109.7° |
| C33 | C32 | H322 | 108.3° | 109.6° |
| H331 | C33 | H332 | 101.6° | 109.2° |
| C31 | C32 | H321 | 108.3° | 109.7° |
| C31 | C32 | H322 | 108.4° | 109.7° |
| C32 | C31 | H311 | 108.3° | 109.7° |
| C32 | C31 | H312 | 108.3° | 109.7° |
| H321 | C32 | H322 | 101.6° | 109.8° |
| H311 | C31 | H312 | 101.6° | 109.7° |
| N27 | C28 | C34 | 116.0° | 121.3° |
| N27 | C28 | C29 | 121.0° | 119.7° |
| C34 | C28 | C29 | 122.9° | 119.0° |
| C28 | C34 | C35 | 110.5° | 119.8° |
| C28 | C34 | H34 | 124.2° | 120.1° |
| C28 | C29 | C37 | 119.1° | 119.8° |
| C35 | C34 | H34 | 125.3° | 120.1° |
| C34 | C35 | C36 | 109.6° | 121.1° |
| C34 | C35 | H35 | 125.8° | 119.5° |
| C29 | C37 | C36 | 114.8° | 119.6° |
| C29 | C37 | H37 | 121.4° | 120.2° |
| C36 | C37 | H37 | 123.8° | 120.2° |
| C37 | C36 | C35 | 111.6° | 120.7° |
| C37 | C36 | H36 | 124.2° | 119.6° |
| C35 | C36 | H36 | 124.2° | 119.6° |
| C36 | C35 | H35 | 124.6° | 119.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C9 | C8 | N10 | 177.9° | 179.8° |
| O11 | C9 | C8 | C7 | 178.6° | 179.9° |
| O11 | C9 | C8 | H8 | 1.4° | 0.4° |
| O11 | C9 | N10 | C5 | 179.6° | 179.7° |
| O11 | C9 | N10 | H10 | 0.4° | 0.3° |
| C9 | C8 | C7 | H8 | 180.0° | 179.5° |
| C8 | C9 | N10 | C5 | 2.5° | 0.5° |
| C8 | C9 | N10 | H10 | 177.5° | 179.5° |
| C9 | C8 | C7 | C4 | 0.2° | 0.4° |
| C9 | C8 | C7 | H7 | 179.8° | 179.8° |
| N10 | C9 | C8 | C7 | 0.7° | 0.3° |
| N10 | C9 | C8 | H8 | 179.3° | 179.8° |
| C9 | N10 | C5 | H10 | 180.0° | 180.0° |
| C9 | N10 | C5 | C6 | 179.6° | 178.9° |
| C9 | N10 | C5 | C4 | 3.6° | 0.7° |
| C8 | C7 | C4 | C5 | 1.2° | 0.6° |
| C8 | C7 | C4 | H7 | 180.0° | 179.8° |
| C8 | C7 | C4 | C3 | 180.0° | 179.0° |
| H8 | C8 | C7 | C4 | 179.8° | 179.9° |
| H8 | C8 | C7 | H7 | 0.2° | 0.3° |
| N10 | C5 | C6 | C4 | 175.9° | 179.5° |
| N10 | C5 | C6 | C1 | 157.1° | 162.1° |
| N10 | C5 | C6 | H61 | 77.6° | 77.6° |
| N10 | C5 | C6 | H62 | 31.9° | 41.8° |
| N10 | C5 | C4 | C7 | 2.8° | 0.7° |
| N10 | C5 | C4 | C3 | 178.3° | 178.8° |
| H10 | N10 | C5 | C6 | 0.5° | 1.1° |
| H10 | N10 | C5 | C4 | 176.4° | 179.3° |
| C5 | C6 | C1 | H61 | 125.3° | 120.4° |
| C5 | C6 | C1 | H62 | 125.2° | 120.3° |
| C5 | C6 | H61 | H62 | 116.5° | 119.4° |
| C6 | C5 | C4 | C7 | 178.8° | 178.8° |
| C6 | C5 | C4 | C3 | 2.3° | 1.6° |
| C5 | C6 | C1 | C2 | 51.8° | 51.0° |
| C5 | C6 | C1 | H11 | 177.1° | 68.8° |
| C5 | C6 | C1 | H12A | 73.4° | 170.6° |
| C4 | C5 | C6 | C1 | 27.0° | 18.4° |
| C4 | C5 | C6 | H61 | 98.3° | 102.0° |
| C4 | C5 | C6 | H62 | 152.2° | 138.7° |
| C5 | C4 | C7 | C3 | 178.8° | 179.6° |
| C5 | C4 | C7 | H7 | 178.7° | 179.6° |
| C5 | C4 | C3 | C2 | 3.1° | 18.3° |
| C5 | C4 | C3 | N12 | 129.2° | 138.6° |
| C5 | C4 | C3 | H3 | 111.6° | 102.0° |
| C1 | C6 | H61 | H62 | 116.5° | 119.4° |
| C6 | C1 | C2 | C3 | 53.4° | 69.0° |
| C6 | C1 | C2 | H11 | 125.3° | 119.8° |
| C6 | C1 | C2 | H12A | 125.2° | 119.6° |
| C6 | C1 | C2 | H21 | 178.7° | 171.3° |
| C6 | C1 | C2 | H22 | 71.8° | 50.7° |
| C6 | C1 | H11 | H12A | 117.3° | 120.6° |
| H61 | C6 | C1 | C2 | 73.5° | 69.4° |
| H61 | C6 | C1 | H11 | 51.8° | 170.9° |
| H61 | C6 | C1 | H12A | 161.3° | 50.2° |
| H62 | C6 | C1 | C2 | 177.0° | 171.2° |
| H62 | C6 | C1 | H11 | 57.7° | 51.5° |
| H62 | C6 | C1 | H12A | 51.8° | 69.2° |
| C7 | C4 | C3 | C2 | 178.1° | 162.1° |
| C7 | C4 | C3 | N12 | 52.0° | 41.9° |
| C7 | C4 | C3 | H3 | 67.1° | 77.6° |
| C3 | C4 | C7 | H7 | 0.1° | 0.8° |
| C4 | C3 | C2 | N12 | 125.8° | 120.3° |
| C4 | C3 | C2 | H3 | 115.1° | 120.3° |
| C4 | C3 | N12 | H3 | 115.8° | 119.5° |
| C4 | C3 | C2 | C1 | 28.7° | 50.8° |
| C4 | C3 | C2 | H21 | 154.0° | 170.5° |
| C4 | C3 | C2 | H22 | 96.6° | 68.9° |
| C4 | C3 | N12 | C13 | 91.1° | 159.0° |
| C4 | C3 | N12 | H12 | 34.3° | 45.2° |
| C2 | C3 | N12 | H3 | 115.5° | 119.3° |
| C3 | C2 | C1 | H21 | 125.3° | 119.7° |
| C3 | C2 | C1 | H22 | 125.3° | 119.7° |
| C3 | C2 | H21 | H22 | 116.1° | 120.6° |
| C3 | C2 | C1 | H11 | 178.7° | 50.8° |
| C3 | C2 | C1 | H12A | 71.8° | 171.4° |
| C2 | C3 | N12 | C13 | 37.7° | 79.9° |
| C2 | C3 | N12 | H12 | 163.1° | 166.3° |
| N12 | C3 | C2 | C1 | 154.5° | 171.1° |
| N12 | C3 | C2 | H21 | 80.2° | 69.2° |
| N12 | C3 | C2 | H22 | 29.3° | 51.4° |
| C3 | N12 | C13 | H12 | 125.3° | 113.7° |
| C3 | N12 | C13 | C14 | 134.8° | 175.4° |
| C3 | N12 | C13 | H131 | 9.5° | 55.3° |
| C3 | N12 | C13 | H132 | 99.9° | 64.6° |
| H3 | C3 | C2 | C1 | 86.4° | 69.5° |
| H3 | C3 | C2 | H21 | 38.9° | 50.2° |
| H3 | C3 | C2 | H22 | 148.4° | 170.8° |
| H3 | C3 | N12 | C13 | 153.2° | 39.5° |
| H3 | C3 | N12 | H12 | 81.5° | 74.3° |
| C1 | C2 | H21 | H22 | 116.1° | 120.6° |
| C2 | C1 | H11 | H12A | 117.2° | 120.6° |
| H21 | C2 | C1 | H11 | 56.0° | 68.9° |
| H21 | C2 | C1 | H12A | 53.5° | 51.7° |
| H22 | C2 | C1 | H11 | 53.5° | 170.4° |
| H22 | C2 | C1 | H12A | 162.9° | 68.9° |
| N12 | C13 | C14 | H131 | 125.2° | 120.0° |
| N12 | C13 | C14 | H132 | 125.2° | 120.0° |
| N12 | C13 | H131 | H132 | 118.4° | 120.0° |
| N12 | C13 | C14 | C15 | 87.4° | 180.0° |
| N12 | C13 | C14 | H141 | 147.3° | 60.0° |
| N12 | C13 | C14 | H142 | 37.9° | 60.0° |
| H12 | N12 | C13 | C14 | 9.5° | 70.9° |
| H12 | N12 | C13 | H131 | 115.8° | 169.1° |
| H12 | N12 | C13 | H132 | 134.8° | 49.1° |
| C14 | C13 | H131 | H132 | 118.5° | 120.0° |
| C13 | C14 | C15 | H141 | 125.3° | 120.0° |
| C13 | C14 | C15 | H142 | 125.3° | 120.0° |
| C13 | C14 | H141 | H142 | 117.2° | 120.0° |
| C13 | C14 | C15 | C16 | 144.6° | 180.0° |
| C13 | C14 | C15 | H151 | 19.4° | 60.0° |
| C13 | C14 | C15 | H152 | 90.1° | 60.0° |
| H131 | C13 | C14 | C15 | 37.8° | 59.9° |
| H131 | C13 | C14 | H141 | 87.5° | 180.0° |
| H131 | C13 | C14 | H142 | 163.1° | 60.0° |
| H132 | C13 | C14 | C15 | 147.4° | 60.0° |
| H132 | C13 | C14 | H141 | 22.1° | 60.0° |
| H132 | C13 | C14 | H142 | 87.3° | 180.0° |
| C15 | C14 | H141 | H142 | 117.2° | 120.0° |
| C14 | C15 | C16 | H151 | 125.2° | 120.1° |
| C14 | C15 | C16 | H152 | 125.2° | 120.0° |
| C14 | C15 | H151 | H152 | 116.5° | 120.0° |
| C14 | C15 | C16 | C17 | 177.2° | 180.0° |
| C14 | C15 | C16 | H161 | 57.5° | 60.0° |
| C14 | C15 | C16 | H162 | 51.9° | 60.0° |
| H141 | C14 | C15 | C16 | 90.1° | 60.0° |
| H141 | C14 | C15 | H151 | 144.7° | 180.0° |
| H141 | C14 | C15 | H152 | 35.2° | 60.0° |
| H142 | C14 | C15 | C16 | 19.3° | 60.0° |
| H142 | C14 | C15 | H151 | 105.9° | 60.0° |
| H142 | C14 | C15 | H152 | 144.6° | 180.0° |
| C16 | C15 | H151 | H152 | 116.5° | 119.9° |
| C15 | C16 | C17 | H161 | 125.3° | 120.0° |
| C15 | C16 | C17 | H162 | 125.3° | 120.0° |
| C15 | C16 | H161 | H162 | 118.3° | 120.0° |
| C15 | C16 | C17 | C18 | 145.1° | 180.0° |
| C15 | C16 | C17 | H171 | 19.9° | 60.0° |
| C15 | C16 | C17 | H172 | 89.7° | 60.0° |
| H151 | C15 | C16 | C17 | 52.0° | 59.9° |
| H151 | C15 | C16 | H161 | 177.3° | 179.9° |
| H151 | C15 | C16 | H162 | 73.3° | 60.0° |
| H152 | C15 | C16 | C17 | 57.6° | 60.0° |
| H152 | C15 | C16 | H161 | 67.7° | 60.0° |
| H152 | C15 | C16 | H162 | 177.2° | 180.0° |
| C17 | C16 | H161 | H162 | 118.3° | 119.9° |
| C16 | C17 | C18 | H171 | 125.2° | 120.1° |
| C16 | C17 | C18 | H172 | 125.2° | 119.9° |
| C16 | C17 | H171 | H172 | 116.0° | 119.9° |
| C16 | C17 | C18 | C19 | 96.3° | 180.0° |
| C16 | C17 | C18 | H181 | 28.9° | 60.0° |
| C16 | C17 | C18 | H182 | 138.3° | 60.0° |
| H161 | C16 | C17 | C18 | 89.6° | 60.0° |
| H161 | C16 | C17 | H171 | 145.2° | 180.0° |
| H161 | C16 | C17 | H172 | 35.6° | 60.0° |
| H162 | C16 | C17 | C18 | 19.8° | 60.0° |
| H162 | C16 | C17 | H171 | 105.4° | 60.1° |
| H162 | C16 | C17 | H172 | 145.0° | 180.0° |
| C18 | C17 | H171 | H172 | 115.9° | 120.0° |
| C17 | C18 | C19 | H181 | 125.3° | 120.0° |
| C17 | C18 | C19 | H182 | 125.3° | 120.0° |
| C17 | C18 | H181 | H182 | 116.7° | 120.0° |
| C17 | C18 | C19 | C20 | 139.2° | 180.0° |
| C17 | C18 | C19 | H191 | 14.0° | 60.0° |
| C17 | C18 | C19 | H192 | 95.5° | 60.1° |
| H171 | C17 | C18 | C19 | 138.4° | 59.9° |
| H171 | C17 | C18 | H181 | 96.3° | 180.0° |
| H171 | C17 | C18 | H182 | 13.1° | 60.0° |
| H172 | C17 | C18 | C19 | 28.9° | 60.1° |
| H172 | C17 | C18 | H181 | 154.2° | 59.9° |
| H172 | C17 | C18 | H182 | 96.4° | 180.0° |
| C19 | C18 | H181 | H182 | 116.7° | 120.0° |
| C18 | C19 | C20 | H191 | 125.3° | 120.1° |
| C18 | C19 | C20 | H192 | 125.2° | 120.0° |
| C18 | C19 | H191 | H192 | 117.2° | 120.0° |
| C18 | C19 | C20 | C21 | 166.5° | 180.0° |
| C18 | C19 | C20 | H201 | 68.2° | 60.0° |
| C18 | C19 | C20 | H202 | 41.2° | 60.0° |
| H181 | C18 | C19 | C20 | 95.5° | 60.0° |
| H181 | C18 | C19 | H191 | 139.2° | 180.0° |
| H181 | C18 | C19 | H192 | 29.8° | 59.9° |
| H182 | C18 | C19 | C20 | 13.9° | 60.0° |
| H182 | C18 | C19 | H191 | 111.4° | 60.0° |
| H182 | C18 | C19 | H192 | 139.2° | 179.9° |
| C20 | C19 | H191 | H192 | 117.2° | 119.9° |
| C19 | C20 | C21 | H201 | 125.3° | 120.1° |
| C19 | C20 | C21 | H202 | 125.3° | 120.0° |
| C19 | C20 | H201 | H202 | 118.4° | 120.0° |
| C19 | C20 | C21 | C22 | 149.5° | 180.0° |
| C19 | C20 | C21 | H211 | 24.2° | 60.0° |
| C19 | C20 | C21 | H212 | 85.2° | 60.0° |
| H191 | C19 | C20 | C21 | 41.3° | 59.9° |
| H191 | C19 | C20 | H201 | 166.5° | 180.0° |
| H191 | C19 | C20 | H202 | 84.1° | 60.0° |
| H192 | C19 | C20 | C21 | 68.2° | 60.0° |
| H192 | C19 | C20 | H201 | 57.0° | 60.0° |
| H192 | C19 | C20 | H202 | 166.4° | 180.0° |
| C21 | C20 | H201 | H202 | 118.4° | 119.9° |
| C20 | C21 | C22 | H211 | 125.3° | 120.1° |
| C20 | C21 | C22 | H212 | 125.2° | 119.9° |
| C20 | C21 | H211 | H212 | 115.0° | 119.9° |
| C20 | C21 | C22 | N23 | 110.5° | 180.0° |
| C20 | C21 | C22 | H221 | 14.8° | 59.9° |
| C20 | C21 | C22 | H222 | 124.3° | 60.0° |
| H201 | C20 | C21 | C22 | 85.2° | 59.9° |
| H201 | C20 | C21 | H211 | 149.5° | 180.0° |
| H201 | C20 | C21 | H212 | 40.0° | 60.0° |
| H202 | C20 | C21 | C22 | 24.2° | 60.0° |
| H202 | C20 | C21 | H211 | 101.1° | 60.1° |
| H202 | C20 | C21 | H212 | 149.5° | 180.0° |
| C22 | C21 | H211 | H212 | 115.0° | 120.0° |
| C21 | C22 | N23 | H221 | 125.2° | 120.0° |
| C21 | C22 | N23 | H222 | 125.3° | 120.0° |
| C21 | C22 | H221 | H222 | 117.7° | 120.0° |
| C21 | C22 | N23 | C24 | 143.4° | 175.6° |
| C21 | C22 | N23 | H23 | 18.2° | 61.8° |
| H211 | C21 | C22 | N23 | 124.3° | 60.0° |
| H211 | C21 | C22 | H221 | 110.5° | 180.0° |
| H211 | C21 | C22 | H222 | 1.0° | 60.0° |
| H212 | C21 | C22 | N23 | 14.8° | 60.0° |
| H212 | C21 | C22 | H221 | 140.0° | 60.0° |
| H212 | C21 | C22 | H222 | 110.5° | 180.0° |
| N23 | C22 | H221 | H222 | 117.7° | 120.0° |
| C22 | N23 | C24 | H23 | 125.3° | 113.8° |
| C22 | N23 | C24 | C25 | 136.3° | 97.0° |
| C22 | N23 | C24 | C29 | 45.5° | 82.7° |
| H221 | C22 | N23 | C24 | 18.2° | 64.4° |
| H221 | C22 | N23 | H23 | 107.1° | 178.2° |
| H222 | C22 | N23 | C24 | 91.4° | 55.6° |
| H222 | C22 | N23 | H23 | 143.4° | 58.2° |
| N23 | C24 | C25 | C29 | 178.5° | 179.8° |
| N23 | C24 | C25 | C30 | 3.0° | 0.2° |
| N23 | C24 | C25 | C26 | 178.4° | 180.0° |
| N23 | C24 | C29 | C28 | 178.2° | 179.7° |
| N23 | C24 | C29 | C37 | 0.0° | 0.5° |
| H23 | N23 | C24 | C25 | 11.1° | 149.1° |
| H23 | N23 | C24 | C29 | 170.7° | 31.1° |
| C24 | C25 | C30 | C26 | 178.7° | 179.8° |
| C24 | C25 | C30 | C31 | 179.9° | 162.7° |
| C24 | C25 | C30 | H301 | 54.9° | 77.0° |
| C24 | C25 | C30 | H302 | 54.6° | 42.4° |
| C24 | C25 | C26 | C33 | 178.6° | 179.7° |
| C24 | C25 | C26 | N27 | 0.6° | 0.2° |
| C25 | C24 | C29 | C28 | 3.6° | 0.5° |
| C25 | C24 | C29 | C37 | 178.1° | 179.7° |
| C29 | C24 | C25 | C30 | 175.5° | 180.0° |
| C29 | C24 | C25 | C26 | 3.1° | 0.2° |
| C24 | C29 | C28 | N27 | 1.8° | 0.6° |
| C24 | C29 | C28 | C34 | 177.8° | 179.7° |
| C24 | C29 | C28 | C37 | 178.3° | 179.2° |
| C24 | C29 | C37 | C36 | 169.4° | 179.7° |
| C24 | C29 | C37 | H37 | 10.7° | 0.7° |
| C25 | C30 | C31 | H301 | 125.3° | 120.3° |
| C25 | C30 | C31 | H302 | 125.3° | 120.3° |
| C25 | C30 | H301 | H302 | 113.9° | 119.5° |
| C30 | C25 | C26 | C33 | 0.1° | 0.5° |
| C30 | C25 | C26 | N27 | 178.1° | 179.6° |
| C25 | C30 | C31 | C32 | 1.8° | 50.9° |
| C25 | C30 | C31 | H311 | 127.1° | 170.7° |
| C25 | C30 | C31 | H312 | 123.4° | 68.8° |
| C26 | C25 | C30 | C31 | 1.5° | 17.4° |
| C26 | C25 | C30 | H301 | 123.8° | 102.8° |
| C26 | C25 | C30 | H302 | 126.7° | 137.8° |
| C25 | C26 | C33 | N27 | 178.1° | 179.8° |
| C25 | C26 | C33 | C32 | 1.3° | 17.9° |
| C25 | C26 | C33 | H331 | 126.6° | 138.2° |
| C25 | C26 | C33 | H332 | 124.0° | 102.4° |
| C25 | C26 | N27 | C28 | 1.7° | 0.2° |
| C31 | C30 | H301 | H302 | 113.7° | 119.4° |
| C30 | C31 | C32 | C33 | 0.6° | 70.2° |
| C30 | C31 | C32 | H311 | 125.3° | 119.8° |
| C30 | C31 | C32 | H312 | 125.3° | 119.7° |
| C30 | C31 | C32 | H321 | 125.9° | 49.5° |
| C30 | C31 | C32 | H322 | 124.7° | 170.2° |
| C30 | C31 | H311 | H312 | 114.1° | 120.5° |
| H301 | C30 | C31 | C32 | 123.5° | 69.3° |
| H301 | C30 | C31 | H311 | 1.8° | 50.4° |
| H301 | C30 | C31 | H312 | 111.3° | 171.0° |
| H302 | C30 | C31 | C32 | 127.1° | 171.3° |
| H302 | C30 | C31 | H311 | 107.6° | 69.0° |
| H302 | C30 | C31 | H312 | 1.9° | 51.6° |
| C26 | C33 | C32 | H331 | 125.3° | 120.2° |
| C26 | C33 | C32 | H332 | 125.3° | 120.3° |
| C26 | C33 | H331 | H332 | 114.0° | 119.5° |
| C26 | C33 | C32 | C31 | 0.9° | 51.6° |
| C26 | C33 | C32 | H321 | 124.3° | 68.2° |
| C26 | C33 | C32 | H322 | 126.3° | 171.2° |
| C33 | C26 | N27 | C28 | 176.4° | 179.7° |
| N27 | C26 | C33 | C32 | 179.3° | 162.2° |
| N27 | C26 | C33 | H331 | 55.4° | 42.0° |
| N27 | C26 | C33 | H332 | 54.1° | 77.5° |
| C26 | N27 | C28 | C34 | 179.4° | 180.0° |
| C26 | N27 | C28 | C29 | 1.0° | 0.2° |
| C32 | C33 | H331 | H332 | 113.9° | 119.4° |
| C33 | C32 | C31 | H321 | 125.3° | 119.7° |
| C33 | C32 | C31 | H322 | 125.3° | 119.7° |
| C33 | C32 | H321 | H322 | 114.0° | 120.5° |
| C33 | C32 | C31 | H311 | 125.9° | 170.1° |
| C33 | C32 | C31 | H312 | 124.7° | 49.5° |
| H331 | C33 | C32 | C31 | 126.3° | 171.8° |
| H331 | C33 | C32 | H321 | 1.0° | 52.1° |
| H331 | C33 | C32 | H322 | 108.4° | 68.5° |
| H332 | C33 | C32 | C31 | 124.3° | 68.8° |
| H332 | C33 | C32 | H321 | 110.4° | 171.5° |
| H332 | C33 | C32 | H322 | 1.0° | 50.9° |
| C31 | C32 | H321 | H322 | 114.0° | 120.6° |
| C32 | C31 | H311 | H312 | 114.0° | 120.6° |
| H321 | C32 | C31 | H311 | 108.8° | 70.2° |
| H321 | C32 | C31 | H312 | 0.6° | 169.2° |
| H322 | C32 | C31 | H311 | 0.6° | 50.4° |
| H322 | C32 | C31 | H312 | 110.0° | 70.1° |
| N27 | C28 | C34 | C29 | 179.6° | 179.7° |
| N27 | C28 | C34 | C35 | 160.9° | 179.9° |
| N27 | C28 | C34 | H34 | 19.1° | 0.1° |
| N27 | C28 | C29 | C37 | 179.9° | 179.8° |
| C28 | C34 | C35 | H34 | 180.0° | 180.0° |
| C34 | C28 | C29 | C37 | 0.6° | 0.5° |
| C28 | C34 | C35 | C36 | 50.1° | 0.1° |
| C28 | C34 | C35 | H35 | 129.9° | 180.0° |
| C29 | C28 | C34 | C35 | 18.7° | 0.2° |
| C29 | C28 | C34 | H34 | 161.3° | 179.8° |
| C28 | C29 | C37 | C36 | 12.4° | 0.5° |
| C28 | C29 | C37 | H37 | 167.6° | 179.8° |
| C34 | C35 | C36 | C37 | 65.5° | 0.0° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | H36 | 114.5° | 179.9° |
| H34 | C34 | C35 | C36 | 129.9° | 179.9° |
| H34 | C34 | C35 | H35 | 50.1° | 0.0° |
| C29 | C37 | C36 | H37 | 180.0° | 179.7° |
| C29 | C37 | C36 | C35 | 45.4° | 0.3° |
| C29 | C37 | C36 | H36 | 134.6° | 179.8° |
| C37 | C36 | C35 | H36 | 180.0° | 179.9° |
| C37 | C36 | C35 | H35 | 114.5° | 180.0° |
| H37 | C37 | C36 | C35 | 134.5° | 179.9° |
| H37 | C37 | C36 | H36 | 45.5° | 0.1° |
| H36 | C36 | C35 | H35 | 65.5° | 0.0° |
