A1CEQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C25 | sing | 1.53Å | 1.54Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C25 | C24 | sing | 1.47Å | 1.53Å | |
| C24 | C23 | trip | 1.17Å | 1.19Å | |
| C23 | C21 | sing | 1.43Å | 1.53Å | |
| C21 | S22 | sing | 1.76Å | 1.63Å | Aromatic |
| C21 | N20 | doub | 1.31Å | 1.37Å | Aromatic |
| S22 | C18 | sing | 1.76Å | 1.63Å | Aromatic |
| C01 | O02 | sing | 1.43Å | 1.41Å | |
| O16 | C15 | doub | 1.22Å | 1.18Å | |
| N20 | N19 | sing | 1.26Å | 1.48Å | Aromatic |
| O02 | C03 | sing | 1.36Å | 1.41Å | |
| C18 | N19 | doub | 1.30Å | 1.36Å | Aromatic |
| C18 | N17 | sing | 1.39Å | 1.46Å | |
| C15 | N17 | sing | 1.35Å | 1.46Å | |
| C15 | C14 | sing | 1.47Å | 1.54Å | |
| C03 | C04 | doub | 1.39Å | 1.40Å | Aromatic |
| C03 | C08 | sing | 1.40Å | 1.40Å | Aromatic |
| C04 | N05 | sing | 1.32Å | 1.33Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C09 | sing | 1.41Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.48Å | 1.55Å | |
| C09 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C07 | doub | 1.40Å | 1.39Å | Aromatic |
| N05 | C06 | doub | 1.32Å | 1.32Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C28 | sing | 1.43Å | 1.54Å | |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C37 | sing | 1.51Å | 1.53Å | |
| C28 | C29 | trip | 1.17Å | 1.20Å | |
| F39 | C37 | sing | 1.40Å | 1.36Å | |
| C37 | F38 | sing | 1.40Å | 1.36Å | |
| C29 | C30 | sing | 1.47Å | 1.55Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C35 | O34 | sing | 1.43Å | 1.47Å | |
| C36 | C30 | sing | 1.53Å | 1.49Å | |
| C30 | O31 | sing | 1.43Å | 1.47Å | |
| C30 | C32 | sing | 1.53Å | 1.47Å | |
| O34 | C33 | sing | 1.43Å | 1.48Å | |
| C33 | C32 | sing | 1.53Å | 1.54Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| N17 | H171 | sing | 0.97Å | 1.00Å | |
| O31 | H311 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C27 | C26 | 60.2° | 60.0° |
| C27 | C25 | C26 | 59.4° | 60.0° |
| C27 | C25 | C24 | 115.7° | 117.5° |
| C27 | C25 | H251 | 117.8° | 117.5° |
| C25 | C27 | H271 | 120.0° | 117.5° |
| C25 | C27 | H272 | 120.0° | 117.5° |
| C27 | C26 | C25 | 60.4° | 60.0° |
| C27 | C26 | H262 | 119.9° | 117.5° |
| C27 | C26 | H261 | 119.9° | 117.5° |
| C26 | C27 | H271 | 120.0° | 117.6° |
| C26 | C27 | H272 | 120.0° | 117.5° |
| C26 | C25 | C24 | 114.9° | 117.5° |
| C26 | C25 | H251 | 117.9° | 117.5° |
| C25 | C26 | H262 | 119.9° | 117.6° |
| C25 | C26 | H261 | 119.9° | 117.5° |
| C25 | C24 | C23 | 178.3° | 179.9° |
| C24 | C25 | H251 | 118.0° | 115.5° |
| C24 | C23 | C21 | 177.2° | 179.9° |
| C23 | C21 | S22 | 125.7° | 126.1° |
| C23 | C21 | N20 | 123.8° | 126.1° |
| S22 | C21 | N20 | 110.4° | 107.8° |
| C21 | S22 | C18 | 97.6° | 89.0° |
| C21 | N20 | N19 | 110.4° | 117.7° |
| S22 | C18 | N19 | 110.2° | 107.9° |
| S22 | C18 | N17 | 127.6° | 126.1° |
| C01 | O02 | C03 | 116.3° | 117.0° |
| O02 | C01 | H013 | 109.5° | 109.5° |
| O02 | C01 | H012 | 109.5° | 109.5° |
| O02 | C01 | H011 | 109.5° | 109.5° |
| O16 | C15 | N17 | 120.8° | 120.0° |
| O16 | C15 | C14 | 121.5° | 120.0° |
| N20 | N19 | C18 | 111.3° | 117.7° |
| O02 | C03 | C04 | 121.2° | 120.6° |
| O02 | C03 | C08 | 119.7° | 120.6° |
| N19 | C18 | N17 | 122.1° | 126.0° |
| C18 | N17 | C15 | 122.0° | 120.0° |
| C18 | N17 | H171 | 119.0° | 120.0° |
| N17 | C15 | C14 | 117.7° | 120.0° |
| C15 | N17 | H171 | 119.0° | 120.0° |
| C15 | C14 | C13 | 121.1° | 120.0° |
| C15 | C14 | C09 | 118.9° | 120.1° |
| C04 | C03 | C08 | 119.1° | 118.8° |
| C03 | C04 | N05 | 120.7° | 120.8° |
| C03 | C04 | H041 | 119.7° | 119.5° |
| C03 | C08 | C09 | 122.5° | 120.9° |
| C03 | C08 | C07 | 118.4° | 118.2° |
| C04 | N05 | C06 | 121.5° | 122.1° |
| N05 | C04 | H041 | 119.6° | 119.6° |
| C14 | C13 | C12 | 119.8° | 120.1° |
| C13 | C14 | C09 | 119.9° | 119.9° |
| C14 | C13 | H131 | 120.1° | 119.9° |
| C13 | C12 | C11 | 120.1° | 120.3° |
| C13 | C12 | H121 | 120.0° | 119.8° |
| C12 | C13 | H131 | 120.1° | 120.0° |
| C14 | C09 | C08 | 121.2° | 120.1° |
| C14 | C09 | C10 | 120.0° | 119.7° |
| C12 | C11 | C10 | 119.9° | 120.1° |
| C12 | C11 | C28 | 121.2° | 119.9° |
| C11 | C12 | H121 | 119.9° | 119.9° |
| C08 | C09 | C10 | 118.9° | 120.1° |
| C09 | C08 | C07 | 119.1° | 121.0° |
| C09 | C10 | C11 | 120.3° | 119.9° |
| C09 | C10 | H101 | 119.9° | 120.1° |
| C08 | C07 | C06 | 118.8° | 119.1° |
| C08 | C07 | H071 | 120.6° | 120.5° |
| N05 | C06 | C07 | 121.5° | 121.0° |
| N05 | C06 | C37 | 119.6° | 119.5° |
| C10 | C11 | C28 | 119.0° | 119.9° |
| C11 | C10 | H101 | 119.8° | 120.1° |
| C11 | C28 | C29 | 178.9° | 180.0° |
| C07 | C06 | C37 | 118.9° | 119.5° |
| C06 | C07 | H071 | 120.6° | 120.4° |
| C06 | C37 | F39 | 109.5° | 109.4° |
| C06 | C37 | F38 | 109.1° | 109.4° |
| C06 | C37 | H371 | 108.2° | 109.5° |
| C28 | C29 | C30 | 179.5° | 179.9° |
| F39 | C37 | F38 | 108.8° | 109.5° |
| F39 | C37 | H371 | 110.6° | 109.5° |
| F38 | C37 | H371 | 110.6° | 109.5° |
| C29 | C30 | C36 | 109.2° | 109.6° |
| C29 | C30 | O31 | 108.8° | 109.5° |
| C29 | C30 | C32 | 109.3° | 109.5° |
| C36 | C35 | O34 | 113.6° | 109.4° |
| C35 | C36 | C30 | 113.3° | 109.1° |
| C36 | C35 | H351 | 108.4° | 109.5° |
| C36 | C35 | H352 | 108.4° | 109.5° |
| C35 | C36 | H362 | 108.5° | 109.6° |
| C35 | C36 | H361 | 108.5° | 109.5° |
| C35 | O34 | C33 | 113.9° | 114.1° |
| O34 | C35 | H351 | 108.4° | 109.4° |
| O34 | C35 | H352 | 108.4° | 109.6° |
| C36 | C30 | O31 | 108.2° | 109.5° |
| C36 | C30 | C32 | 112.9° | 109.2° |
| C30 | C36 | H362 | 108.5° | 109.6° |
| C30 | C36 | H361 | 108.5° | 109.4° |
| O31 | C30 | C32 | 108.4° | 109.5° |
| C30 | O31 | H311 | 109.5° | 114.0° |
| C30 | C32 | C33 | 113.1° | 109.2° |
| C30 | C32 | H322 | 108.5° | 109.5° |
| C30 | C32 | H321 | 108.5° | 109.6° |
| O34 | C33 | C32 | 113.6° | 109.4° |
| O34 | C33 | H332 | 108.4° | 109.5° |
| O34 | C33 | H331 | 108.5° | 109.5° |
| C33 | C32 | H322 | 108.6° | 109.5° |
| C33 | C32 | H321 | 108.6° | 109.5° |
| C32 | C33 | H332 | 108.5° | 109.5° |
| C32 | C33 | H331 | 108.4° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.4° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H262 | C26 | H261 | 109.5° | 115.5° |
| H271 | C27 | H272 | 109.5° | 115.5° |
| H322 | C32 | H321 | 109.5° | 109.5° |
| H332 | C33 | H331 | 109.4° | 109.5° |
| H351 | C35 | H352 | 109.4° | 109.4° |
| H362 | C36 | H361 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C27 | C26 | H271 | 109.5° | 107.5° |
| C25 | C27 | C26 | H272 | 109.6° | 107.5° |
| C27 | C25 | C26 | C24 | 106.3° | 107.5° |
| C27 | C25 | C26 | H251 | 107.5° | 107.5° |
| C27 | C25 | C24 | H251 | 147.4° | 145.7° |
| C27 | C25 | C24 | C23 | 139.3° | 76.6° |
| C25 | C27 | C26 | H262 | 109.6° | 107.6° |
| C25 | C27 | C26 | H261 | 109.6° | 107.5° |
| C25 | C27 | H271 | H272 | 144.6° | 145.7° |
| C27 | C26 | H262 | H261 | 144.5° | 145.6° |
| C26 | C27 | H271 | H272 | 144.6° | 145.7° |
| C26 | C25 | C24 | H251 | 146.1° | 145.6° |
| C26 | C25 | C24 | C23 | 72.9° | 145.3° |
| C25 | C26 | H262 | H261 | 144.5° | 145.7° |
| C25 | C24 | C23 | C21 | 30.1° | 154.5° |
| C24 | C25 | C26 | H262 | 3.3° | 145.0° |
| C24 | C25 | C26 | H261 | 144.1° | 0.1° |
| C24 | C25 | C27 | H271 | 4.6° | 0.0° |
| C24 | C25 | C27 | H272 | 145.5° | 145.0° |
| C24 | C23 | C21 | S22 | 174.9° | 170.7° |
| C24 | C23 | C21 | N20 | 5.5° | 9.6° |
| C23 | C24 | C25 | H251 | 73.3° | 69.1° |
| C23 | C21 | S22 | N20 | 179.7° | 179.7° |
| C23 | C21 | S22 | C18 | 179.8° | 180.0° |
| C23 | C21 | N20 | N19 | 179.7° | 180.0° |
| S22 | C21 | N20 | N19 | 0.0° | 0.2° |
| C21 | S22 | C18 | N19 | 0.2° | 0.3° |
| C21 | S22 | C18 | N17 | 179.7° | 179.9° |
| N20 | C21 | S22 | C18 | 0.2° | 0.3° |
| C21 | N20 | N19 | C18 | 0.1° | 0.0° |
| S22 | C18 | N19 | N20 | 0.2° | 0.2° |
| S22 | C18 | N19 | N17 | 179.5° | 179.8° |
| S22 | C18 | N17 | C15 | 66.6° | 179.7° |
| S22 | C18 | N17 | H171 | 113.4° | 0.3° |
| C01 | O02 | C03 | C04 | 4.3° | 0.0° |
| C01 | O02 | C03 | C08 | 174.6° | 179.7° |
| O02 | C01 | H013 | H012 | 120.0° | 120.0° |
| O02 | C01 | H013 | H011 | 120.0° | 120.0° |
| O02 | C01 | H012 | H011 | 120.0° | 120.0° |
| O16 | C15 | N17 | C18 | 0.5° | 0.0° |
| O16 | C15 | N17 | C14 | 179.2° | 180.0° |
| O16 | C15 | C14 | C13 | 79.7° | 180.0° |
| O16 | C15 | C14 | C09 | 101.0° | 0.6° |
| O16 | C15 | N17 | H171 | 179.5° | 180.0° |
| N20 | N19 | C18 | N17 | 179.7° | 180.0° |
| O02 | C03 | C04 | C08 | 179.0° | 179.7° |
| O02 | C03 | C04 | N05 | 179.8° | 179.8° |
| O02 | C03 | C08 | C09 | 0.8° | 0.3° |
| O02 | C03 | C08 | C07 | 179.9° | 179.7° |
| C03 | O02 | C01 | H013 | 180.0° | 180.0° |
| C03 | O02 | C01 | H012 | 60.0° | 60.0° |
| C03 | O02 | C01 | H011 | 60.0° | 60.0° |
| O02 | C03 | C04 | H041 | 0.2° | 0.3° |
| N19 | C18 | N17 | C15 | 114.0° | 0.0° |
| N19 | C18 | N17 | H171 | 65.9° | 180.0° |
| C18 | N17 | C15 | H171 | 180.0° | 180.0° |
| C18 | N17 | C15 | C14 | 178.7° | 180.0° |
| N17 | C15 | C14 | C13 | 101.1° | 0.0° |
| N17 | C15 | C14 | C09 | 78.1° | 179.4° |
| C15 | C14 | C13 | C09 | 179.3° | 179.4° |
| C15 | C14 | C13 | C12 | 179.6° | 179.9° |
| C15 | C14 | C09 | C08 | 0.3° | 0.3° |
| C15 | C14 | C09 | C10 | 179.3° | 180.0° |
| C15 | C14 | C13 | H131 | 0.4° | 0.6° |
| C14 | C15 | N17 | H171 | 1.3° | 0.0° |
| C03 | C04 | N05 | H041 | 180.0° | 179.9° |
| C04 | C03 | C08 | C09 | 179.8° | 179.9° |
| C04 | C03 | C08 | C07 | 0.9° | 0.0° |
| C03 | C04 | N05 | C06 | 0.4° | 0.1° |
| C08 | C03 | C04 | N05 | 0.8° | 0.1° |
| C03 | C08 | C09 | C14 | 59.1° | 64.7° |
| C03 | C08 | C09 | C07 | 179.2° | 180.0° |
| C03 | C08 | C09 | C10 | 121.4° | 115.0° |
| C03 | C08 | C07 | C06 | 0.7° | 0.0° |
| C08 | C03 | C04 | H041 | 179.2° | 180.0° |
| C03 | C08 | C07 | H071 | 179.3° | 180.0° |
| C04 | N05 | C06 | C07 | 0.2° | 0.0° |
| C04 | N05 | C06 | C37 | 179.9° | 180.0° |
| C14 | C13 | C12 | H131 | 180.0° | 179.3° |
| C14 | C13 | C12 | C11 | 0.3° | 0.4° |
| C13 | C14 | C09 | C08 | 179.6° | 179.7° |
| C13 | C14 | C09 | C10 | 0.0° | 0.6° |
| C14 | C13 | C12 | H121 | 179.8° | 179.7° |
| C12 | C13 | C14 | C09 | 0.3° | 0.7° |
| C13 | C12 | C11 | H121 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 0.1° | 0.1° |
| C13 | C12 | C11 | C28 | 180.0° | 180.0° |
| C14 | C09 | C08 | C10 | 179.6° | 179.7° |
| C14 | C09 | C08 | C07 | 121.7° | 115.3° |
| C14 | C09 | C10 | C11 | 0.3° | 0.3° |
| C14 | C09 | C10 | H101 | 179.7° | 179.7° |
| C09 | C14 | C13 | H131 | 179.7° | 180.0° |
| C12 | C11 | C10 | C09 | 0.3° | 0.0° |
| C12 | C11 | C10 | C28 | 180.0° | 180.0° |
| C12 | C11 | C28 | C29 | 177.3° | 4.8° |
| C12 | C11 | C10 | H101 | 179.7° | 180.0° |
| C11 | C12 | C13 | H131 | 179.7° | 179.7° |
| C08 | C09 | C10 | C11 | 179.9° | 180.0° |
| C09 | C08 | C07 | C06 | 180.0° | 180.0° |
| C09 | C08 | C07 | H071 | 0.0° | 0.0° |
| C08 | C09 | C10 | H101 | 0.1° | 0.0° |
| C10 | C09 | C08 | C07 | 57.9° | 65.0° |
| C09 | C10 | C11 | H101 | 180.0° | 179.9° |
| C09 | C10 | C11 | C28 | 179.7° | 180.0° |
| C08 | C07 | C06 | N05 | 0.3° | 0.0° |
| C08 | C07 | C06 | H071 | 180.0° | 180.0° |
| C08 | C07 | C06 | C37 | 179.7° | 180.0° |
| N05 | C06 | C07 | C37 | 180.0° | 180.0° |
| N05 | C06 | C37 | F39 | 16.8° | 150.0° |
| N05 | C06 | C37 | F38 | 135.7° | 30.0° |
| C06 | N05 | C04 | H041 | 179.6° | 180.0° |
| N05 | C06 | C07 | H071 | 179.7° | 180.0° |
| N05 | C06 | C37 | H371 | 103.9° | 90.0° |
| C10 | C11 | C28 | C29 | 2.6° | 175.3° |
| C10 | C11 | C12 | H121 | 179.9° | 180.0° |
| C11 | C28 | C29 | C30 | 16.4° | 179.6° |
| C28 | C11 | C10 | H101 | 0.3° | 0.0° |
| C28 | C11 | C12 | H121 | 0.0° | 0.1° |
| C07 | C06 | C37 | F39 | 163.2° | 30.0° |
| C07 | C06 | C37 | F38 | 44.2° | 150.0° |
| C07 | C06 | C37 | H371 | 76.1° | 90.0° |
| C06 | C37 | F39 | F38 | 119.1° | 119.9° |
| C06 | C37 | F39 | H371 | 119.2° | 120.0° |
| C06 | C37 | F38 | H371 | 118.9° | 120.0° |
| C37 | C06 | C07 | H071 | 0.3° | 0.0° |
| C28 | C29 | C30 | C36 | 118.2° | 54.7° |
| C28 | C29 | C30 | O31 | 123.9° | 174.9° |
| C28 | C29 | C30 | C32 | 5.8° | 65.0° |
| F39 | C37 | F38 | H371 | 121.7° | 120.1° |
| C29 | C30 | C36 | C35 | 71.7° | 63.0° |
| C29 | C30 | C36 | O31 | 118.3° | 120.1° |
| C29 | C30 | C36 | C32 | 121.8° | 120.0° |
| C29 | C30 | O31 | C32 | 118.7° | 120.1° |
| C29 | C30 | C32 | C33 | 71.5° | 62.9° |
| C29 | C30 | C32 | H322 | 168.0° | 177.2° |
| C29 | C30 | C32 | H321 | 49.0° | 57.0° |
| C29 | C30 | C36 | H362 | 167.7° | 57.0° |
| C29 | C30 | C36 | H361 | 48.8° | 177.2° |
| C29 | C30 | O31 | H311 | 180.0° | 60.0° |
| C36 | C35 | O34 | H351 | 120.6° | 120.0° |
| C36 | C35 | O34 | H352 | 120.6° | 120.1° |
| C35 | C36 | C30 | H362 | 120.5° | 120.0° |
| C35 | C36 | C30 | H361 | 120.6° | 119.8° |
| C35 | C36 | C30 | O31 | 170.0° | 177.0° |
| C35 | C36 | C30 | C32 | 50.0° | 57.0° |
| C36 | C35 | O34 | C33 | 47.2° | 61.1° |
| C36 | C35 | H351 | H352 | 118.1° | 120.0° |
| C35 | C36 | H362 | H361 | 118.2° | 120.2° |
| O34 | C35 | C36 | C30 | 48.4° | 57.5° |
| C35 | O34 | C33 | C32 | 47.4° | 61.1° |
| C35 | O34 | C33 | H332 | 73.2° | 179.0° |
| C35 | O34 | C33 | H331 | 168.1° | 58.9° |
| O34 | C35 | H351 | H352 | 118.1° | 120.1° |
| O34 | C35 | C36 | H362 | 72.2° | 177.5° |
| O34 | C35 | C36 | H361 | 169.0° | 62.3° |
| C36 | C30 | O31 | C32 | 122.8° | 119.7° |
| C36 | C30 | C32 | C33 | 50.3° | 57.0° |
| C36 | C30 | C32 | H322 | 70.3° | 62.9° |
| C36 | C30 | C32 | H321 | 170.8° | 177.0° |
| C30 | C36 | C35 | H351 | 72.2° | 62.4° |
| C30 | C36 | C35 | H352 | 169.1° | 177.6° |
| C30 | C36 | H362 | H361 | 118.3° | 120.1° |
| C36 | C30 | O31 | H311 | 61.4° | 60.1° |
| O31 | C30 | C32 | C33 | 170.1° | 177.0° |
| O31 | C30 | C32 | H322 | 49.6° | 57.1° |
| O31 | C30 | C32 | H321 | 69.3° | 63.1° |
| O31 | C30 | C36 | H362 | 49.4° | 63.1° |
| O31 | C30 | C36 | H361 | 69.4° | 57.1° |
| C30 | C32 | C33 | O34 | 49.1° | 57.6° |
| C30 | C32 | C33 | H322 | 120.5° | 119.9° |
| C30 | C32 | C33 | H321 | 120.5° | 120.0° |
| C30 | C32 | H322 | H321 | 118.3° | 120.2° |
| C30 | C32 | C33 | H332 | 71.6° | 177.5° |
| C30 | C32 | C33 | H331 | 169.7° | 62.4° |
| C32 | C30 | C36 | H362 | 70.5° | 177.0° |
| C32 | C30 | C36 | H361 | 170.6° | 62.8° |
| C32 | C30 | O31 | H311 | 61.3° | 179.9° |
| O34 | C33 | C32 | H332 | 120.6° | 119.9° |
| O34 | C33 | C32 | H331 | 120.6° | 119.9° |
| O34 | C33 | C32 | H322 | 71.5° | 62.3° |
| O34 | C33 | C32 | H321 | 169.6° | 177.6° |
| O34 | C33 | H332 | H331 | 118.1° | 120.0° |
| C33 | O34 | C35 | H351 | 73.4° | 58.9° |
| C33 | O34 | C35 | H352 | 167.8° | 178.9° |
| C33 | C32 | H322 | H321 | 118.4° | 120.1° |
| C32 | C33 | H332 | H331 | 118.1° | 120.1° |
| H013 | C01 | H012 | H011 | 120.0° | 120.0° |
| H121 | C12 | C13 | H131 | 0.2° | 0.4° |
| H251 | C25 | C26 | H262 | 142.9° | 0.1° |
| H251 | C25 | C26 | H261 | 2.1° | 145.0° |
| H251 | C25 | C27 | H271 | 142.9° | 145.0° |
| H251 | C25 | C27 | H272 | 1.9° | 0.0° |
| H262 | C26 | C27 | H271 | 0.0° | 145.0° |
| H262 | C26 | C27 | H272 | 140.9° | 0.1° |
| H261 | C26 | C27 | H271 | 140.9° | 0.0° |
| H261 | C26 | C27 | H272 | 0.0° | 145.0° |
| H322 | C32 | C33 | H332 | 167.9° | 57.6° |
| H322 | C32 | C33 | H331 | 49.2° | 177.7° |
| H321 | C32 | C33 | H332 | 49.0° | 62.5° |
| H321 | C32 | C33 | H331 | 69.8° | 57.6° |
| H351 | C35 | C36 | H362 | 167.2° | 57.6° |
| H351 | C35 | C36 | H361 | 48.4° | 177.8° |
| H352 | C35 | C36 | H362 | 48.5° | 62.4° |
| H352 | C35 | C36 | H361 | 70.4° | 57.8° |
