VSC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C9 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | C32 | sing | 1.53Å | 1.53Å | |
| C9 | N10 | sing | 1.46Å | 1.47Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.53Å | 1.55Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | S34 | sing | 1.81Å | 1.80Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| S34 | O37 | doub | 1.42Å | 1.45Å | |
| S34 | O36 | doub | 1.42Å | 1.46Å | |
| S34 | O35 | sing | 1.52Å | 1.47Å | |
| O35 | C36 | sing | 1.36Å | 18.02Å | |
| N10 | C11 | sing | 1.35Å | 1.36Å | |
| N10 | H10 | sing | 0.97Å | 1.00Å | |
| C11 | O12 | doub | 1.21Å | 1.24Å | |
| C11 | C13 | sing | 1.51Å | 1.50Å | |
| C13 | N21 | sing | 1.46Å | 1.48Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| N21 | C22 | sing | 1.35Å | 1.36Å | |
| N21 | H21 | sing | 0.97Å | 1.00Å | |
| C22 | O24 | sing | 1.35Å | 1.34Å | |
| C22 | O23 | doub | 1.21Å | 1.24Å | |
| O24 | C25 | sing | 1.45Å | 1.43Å | |
| C25 | C26 | sing | 1.51Å | 1.51Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| C26 | C31 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C28 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C29 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | sing | 1.51Å | 1.49Å | |
| C2 | H21A | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | H41 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | H51 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | H61 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | H71 | sing | 1.08Å | 1.08Å | |
| C8 | H81 | sing | 1.08Å | 1.08Å | |
| C36 | C37 | doub | 1.39Å | 0.00Å | Aromatic |
| C36 | C41 | sing | 1.39Å | 0.00Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 0.00Å | Aromatic |
| C37 | H371 | sing | 1.08Å | 0.00Å | |
| C38 | C39 | doub | 1.38Å | 0.00Å | Aromatic |
| C38 | H381 | sing | 1.08Å | 0.00Å | |
| C39 | C40 | sing | 1.38Å | 0.00Å | Aromatic |
| C39 | H391 | sing | 1.08Å | 0.00Å | |
| C40 | C41 | doub | 1.38Å | 0.00Å | Aromatic |
| C40 | H401 | sing | 1.08Å | 0.00Å | |
| C41 | H411 | sing | 1.08Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C1 | C2 | 109.4° | 109.5° |
| C9 | C1 | H11 | 109.5° | 109.5° |
| C9 | C1 | H12 | 109.5° | 109.5° |
| C1 | C9 | C32 | 113.9° | 109.4° |
| C1 | C9 | N10 | 109.9° | 109.5° |
| C1 | C9 | H91 | 106.1° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C1 | H12 | 109.5° | 109.4° |
| C1 | C2 | C3 | 111.2° | 109.5° |
| C1 | C2 | H21A | 108.9° | 109.5° |
| C1 | C2 | H22 | 108.9° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| C32 | C9 | N10 | 109.3° | 109.5° |
| C32 | C9 | H91 | 106.7° | 109.5° |
| C9 | C32 | C33 | 114.2° | 109.4° |
| C9 | C32 | H321 | 107.9° | 109.5° |
| C9 | C32 | H322 | 107.9° | 109.5° |
| N10 | C9 | H91 | 110.9° | 109.5° |
| C9 | N10 | C11 | 123.8° | 120.0° |
| C9 | N10 | H10 | 118.1° | 120.0° |
| C33 | C32 | H321 | 107.9° | 109.5° |
| C33 | C32 | H322 | 108.0° | 109.5° |
| C32 | C33 | S34 | 113.9° | 109.5° |
| C32 | C33 | H331 | 108.0° | 109.5° |
| C32 | C33 | H332 | 108.0° | 109.5° |
| H321 | C32 | H322 | 111.0° | 109.5° |
| S34 | C33 | H331 | 108.0° | 109.4° |
| S34 | C33 | H332 | 108.0° | 109.4° |
| C33 | S34 | O37 | 104.7° | 110.5° |
| C33 | S34 | O36 | 103.7° | 110.6° |
| C33 | S34 | O35 | 104.2° | 104.5° |
| H331 | C33 | H332 | 110.8° | 109.5° |
| O37 | S34 | O36 | 114.6° | 121.0° |
| O37 | S34 | O35 | 115.9° | 104.3° |
| O36 | S34 | O35 | 112.0° | 104.3° |
| S34 | O35 | C36 | 77.7° | 114.0° |
| O35 | C36 | C37 | 90.0° | 120.1° |
| O35 | C36 | C41 | 90.0° | 120.1° |
| C11 | N10 | H10 | 118.1° | 120.0° |
| N10 | C11 | O12 | 120.8° | 120.0° |
| N10 | C11 | C13 | 115.3° | 120.0° |
| O12 | C11 | C13 | 123.1° | 120.0° |
| C11 | C13 | N21 | 109.3° | 109.5° |
| C11 | C13 | C14 | 108.3° | 109.5° |
| C11 | C13 | H131 | 110.4° | 109.5° |
| N21 | C13 | C14 | 109.4° | 109.5° |
| N21 | C13 | H131 | 109.3° | 109.5° |
| C13 | N21 | C22 | 121.0° | 120.0° |
| C13 | N21 | H21 | 119.5° | 120.0° |
| C14 | C13 | H131 | 110.2° | 109.4° |
| C13 | C14 | C15 | 112.9° | 109.5° |
| C13 | C14 | H141 | 108.3° | 109.5° |
| C13 | C14 | H142 | 108.4° | 109.5° |
| C22 | N21 | H21 | 119.5° | 119.9° |
| N21 | C22 | O24 | 112.8° | 120.0° |
| N21 | C22 | O23 | 123.3° | 120.0° |
| O24 | C22 | O23 | 123.8° | 120.0° |
| C22 | O24 | C25 | 119.0° | 117.0° |
| O24 | C25 | C26 | 110.7° | 109.5° |
| O24 | C25 | H251 | 109.1° | 109.5° |
| O24 | C25 | H252 | 109.1° | 109.4° |
| C26 | C25 | H251 | 109.1° | 109.5° |
| C26 | C25 | H252 | 109.1° | 109.5° |
| C25 | C26 | C27 | 119.5° | 120.0° |
| C25 | C26 | C31 | 120.7° | 120.0° |
| H251 | C25 | H252 | 109.8° | 109.5° |
| C27 | C26 | C31 | 119.3° | 120.0° |
| C26 | C27 | C28 | 120.3° | 120.1° |
| C26 | C27 | H271 | 119.8° | 120.0° |
| C26 | C31 | C30 | 120.2° | 120.0° |
| C26 | C31 | H311 | 119.9° | 120.0° |
| C28 | C27 | H271 | 119.9° | 120.0° |
| C27 | C28 | C29 | 120.3° | 119.9° |
| C27 | C28 | H281 | 119.9° | 120.0° |
| C29 | C28 | H281 | 119.8° | 120.0° |
| C28 | C29 | C30 | 119.5° | 120.0° |
| C28 | C29 | H291 | 120.3° | 120.0° |
| C30 | C29 | H291 | 120.2° | 120.0° |
| C29 | C30 | C31 | 120.5° | 120.0° |
| C29 | C30 | H301 | 119.8° | 120.0° |
| C31 | C30 | H301 | 119.8° | 120.1° |
| C30 | C31 | H311 | 119.9° | 120.0° |
| C15 | C14 | H141 | 108.4° | 109.4° |
| C15 | C14 | H142 | 108.3° | 109.5° |
| C14 | C15 | C16 | 122.9° | 120.0° |
| C14 | C15 | C20 | 117.4° | 119.9° |
| H141 | C14 | H142 | 110.6° | 109.4° |
| C16 | C15 | C20 | 119.2° | 120.0° |
| C15 | C16 | C17 | 120.3° | 120.0° |
| C15 | C16 | H161 | 119.9° | 120.0° |
| C15 | C20 | C19 | 120.7° | 120.0° |
| C15 | C20 | H201 | 119.7° | 120.0° |
| C17 | C16 | H161 | 119.8° | 120.0° |
| C16 | C17 | C18 | 120.0° | 120.0° |
| C16 | C17 | H171 | 120.0° | 120.0° |
| C18 | C17 | H171 | 120.0° | 119.9° |
| C17 | C18 | C19 | 119.9° | 120.0° |
| C17 | C18 | H181 | 120.0° | 120.0° |
| C19 | C18 | H181 | 120.1° | 120.0° |
| C18 | C19 | C20 | 119.9° | 120.0° |
| C18 | C19 | H191 | 120.0° | 120.0° |
| C20 | C19 | H191 | 120.1° | 120.0° |
| C19 | C20 | H201 | 119.6° | 120.0° |
| C3 | C2 | H21A | 108.9° | 109.5° |
| C3 | C2 | H22 | 108.9° | 109.5° |
| C2 | C3 | C4 | 120.2° | 120.0° |
| C2 | C3 | C8 | 119.7° | 120.0° |
| H21A | C2 | H22 | 110.0° | 109.5° |
| C4 | C3 | C8 | 119.8° | 120.0° |
| C3 | C4 | C5 | 120.2° | 120.0° |
| C3 | C4 | H41 | 119.9° | 120.0° |
| C3 | C8 | C7 | 120.2° | 120.0° |
| C3 | C8 | H81 | 119.9° | 120.0° |
| C5 | C4 | H41 | 119.9° | 120.0° |
| C4 | C5 | C6 | 119.8° | 120.0° |
| C4 | C5 | H51 | 120.1° | 120.0° |
| C6 | C5 | H51 | 120.1° | 120.0° |
| C5 | C6 | C7 | 120.1° | 120.0° |
| C5 | C6 | H61 | 120.0° | 120.0° |
| C7 | C6 | H61 | 120.0° | 120.0° |
| C6 | C7 | C8 | 119.9° | 120.0° |
| C6 | C7 | H71 | 120.0° | 120.0° |
| C8 | C7 | H71 | 120.1° | 120.1° |
| C7 | C8 | H81 | 119.9° | 120.0° |
| C37 | C36 | C41 | 90.0° | 119.9° |
| C36 | C37 | C38 | 90.0° | 120.0° |
| C36 | C37 | H371 | 90.0° | 120.0° |
| C36 | C41 | C40 | 90.0° | 119.9° |
| C36 | C41 | H411 | 90.0° | 120.1° |
| C38 | C37 | H371 | 90.0° | 120.0° |
| C37 | C38 | C39 | 90.0° | 120.0° |
| C37 | C38 | H381 | 90.0° | 120.0° |
| C39 | C38 | H381 | 90.0° | 119.9° |
| C38 | C39 | C40 | 90.0° | 120.1° |
| C38 | C39 | H391 | 90.0° | 119.9° |
| C40 | C39 | H391 | 90.0° | 120.0° |
| C39 | C40 | C41 | 90.0° | 120.1° |
| C39 | C40 | H401 | 90.0° | 119.9° |
| C41 | C40 | H401 | 90.0° | 120.0° |
| C40 | C41 | H411 | 90.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C1 | C2 | H11 | 120.0° | 120.0° |
| C9 | C1 | C2 | H12 | 120.0° | 120.0° |
| C9 | C1 | H11 | H12 | 120.0° | 120.0° |
| C1 | C9 | C32 | N10 | 123.3° | 120.0° |
| C1 | C9 | C32 | H91 | 116.7° | 120.0° |
| C1 | C9 | N10 | H91 | 117.0° | 120.0° |
| C1 | C9 | C32 | C33 | 34.3° | 175.0° |
| C1 | C9 | C32 | H321 | 85.7° | 55.0° |
| C1 | C9 | C32 | H322 | 154.3° | 65.0° |
| C1 | C9 | N10 | C11 | 128.8° | 85.0° |
| C1 | C9 | N10 | H10 | 51.2° | 95.0° |
| C9 | C1 | C2 | C3 | 174.2° | 180.0° |
| C9 | C1 | C2 | H21A | 54.2° | 60.0° |
| C9 | C1 | C2 | H22 | 65.7° | 60.0° |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| C2 | C1 | C9 | C32 | 175.4° | 175.0° |
| C2 | C1 | C9 | N10 | 61.6° | 65.0° |
| C2 | C1 | C9 | H91 | 58.3° | 55.0° |
| C1 | C2 | C3 | H21A | 120.0° | 120.0° |
| C1 | C2 | C3 | H22 | 120.0° | 120.0° |
| C1 | C2 | H21A | H22 | 119.3° | 120.0° |
| C1 | C2 | C3 | C4 | 92.7° | 90.0° |
| C1 | C2 | C3 | C8 | 80.5° | 90.3° |
| H11 | C1 | C9 | C32 | 64.6° | 65.0° |
| H11 | C1 | C9 | N10 | 58.4° | 55.0° |
| H11 | C1 | C9 | H91 | 178.4° | 175.0° |
| H11 | C1 | C2 | C3 | 65.7° | 60.0° |
| H11 | C1 | C2 | H21A | 174.3° | 180.0° |
| H11 | C1 | C2 | H22 | 54.3° | 60.0° |
| H12 | C1 | C9 | C32 | 55.4° | 55.0° |
| H12 | C1 | C9 | N10 | 178.4° | 175.0° |
| H12 | C1 | C9 | H91 | 61.6° | 64.9° |
| H12 | C1 | C2 | C3 | 54.3° | 60.0° |
| H12 | C1 | C2 | H21A | 65.7° | 60.0° |
| H12 | C1 | C2 | H22 | 174.3° | 180.0° |
| C32 | C9 | N10 | H91 | 117.4° | 120.0° |
| C9 | C32 | C33 | H321 | 120.0° | 120.0° |
| C9 | C32 | C33 | H322 | 120.0° | 120.0° |
| C9 | C32 | H321 | H322 | 118.1° | 120.1° |
| C9 | C32 | C33 | S34 | 118.3° | 180.0° |
| C9 | C32 | C33 | H331 | 121.6° | 60.0° |
| C9 | C32 | C33 | H332 | 1.7° | 60.0° |
| C32 | C9 | N10 | C11 | 105.6° | 155.0° |
| C32 | C9 | N10 | H10 | 74.4° | 25.0° |
| N10 | C9 | C32 | C33 | 157.6° | 65.0° |
| N10 | C9 | C32 | H321 | 37.6° | 175.0° |
| N10 | C9 | C32 | H322 | 82.4° | 55.0° |
| C9 | N10 | C11 | H10 | 180.0° | 180.0° |
| C9 | N10 | C11 | O12 | 0.1° | 0.0° |
| C9 | N10 | C11 | C13 | 169.9° | 180.0° |
| H91 | C9 | C32 | C33 | 82.3° | 55.0° |
| H91 | C9 | C32 | H321 | 157.7° | 65.0° |
| H91 | C9 | C32 | H322 | 37.7° | 175.0° |
| H91 | C9 | N10 | C11 | 11.8° | 35.0° |
| H91 | C9 | N10 | H10 | 168.2° | 145.0° |
| C33 | C32 | H321 | H322 | 118.1° | 120.0° |
| C32 | C33 | S34 | H331 | 120.0° | 120.0° |
| C32 | C33 | S34 | H332 | 120.0° | 120.0° |
| C32 | C33 | H331 | H332 | 118.2° | 120.1° |
| C32 | C33 | S34 | O37 | 117.9° | 68.3° |
| C32 | C33 | S34 | O36 | 2.5° | 68.3° |
| C32 | C33 | S34 | O35 | 119.9° | 180.0° |
| H321 | C32 | C33 | S34 | 1.7° | 60.0° |
| H321 | C32 | C33 | H331 | 118.4° | 180.0° |
| H321 | C32 | C33 | H332 | 121.7° | 60.0° |
| H322 | C32 | C33 | S34 | 121.7° | 60.0° |
| H322 | C32 | C33 | H331 | 1.6° | 60.0° |
| H322 | C32 | C33 | H332 | 118.3° | 180.0° |
| S34 | C33 | H331 | H332 | 118.2° | 119.9° |
| C33 | S34 | O37 | O36 | 112.9° | 131.5° |
| C33 | S34 | O37 | O35 | 114.1° | 111.8° |
| C33 | S34 | O36 | O35 | 111.7° | 111.8° |
| C33 | S34 | O35 | C36 | 51.7° | 75.0° |
| H331 | C33 | S34 | O37 | 122.0° | 171.6° |
| H331 | C33 | S34 | O36 | 117.5° | 51.7° |
| H331 | C33 | S34 | O35 | 0.2° | 60.0° |
| H332 | C33 | S34 | O37 | 2.1° | 51.7° |
| H332 | C33 | S34 | O36 | 122.6° | 171.6° |
| H332 | C33 | S34 | O35 | 120.1° | 60.0° |
| O37 | S34 | O36 | O35 | 134.8° | 116.8° |
| O37 | S34 | O35 | C36 | 166.2° | 41.1° |
| O36 | S34 | O35 | C36 | 59.7° | 168.9° |
| S34 | O35 | C36 | C37 | 90.0° | 90.0° |
| S34 | O35 | C36 | C41 | 90.0° | 90.3° |
| O35 | C36 | C37 | C41 | 90.0° | 179.7° |
| O35 | C36 | C37 | C38 | 90.0° | 180.0° |
| O35 | C36 | C37 | H371 | 90.0° | 0.1° |
| O35 | C36 | C41 | C40 | 90.0° | 179.7° |
| O35 | C36 | C41 | H411 | 90.0° | 0.0° |
| N10 | C11 | O12 | C13 | 169.0° | 180.0° |
| N10 | C11 | C13 | N21 | 144.7° | 180.0° |
| N10 | C11 | C13 | C14 | 96.2° | 60.0° |
| N10 | C11 | C13 | H131 | 24.5° | 60.0° |
| H10 | N10 | C11 | O12 | 179.9° | 180.0° |
| H10 | N10 | C11 | C13 | 10.1° | 0.0° |
| O12 | C11 | C13 | N21 | 45.7° | 0.0° |
| O12 | C11 | C13 | C14 | 73.3° | 120.0° |
| O12 | C11 | C13 | H131 | 165.9° | 120.0° |
| C11 | C13 | N21 | C14 | 118.4° | 120.0° |
| C11 | C13 | N21 | H131 | 120.9° | 120.0° |
| C11 | C13 | C14 | H131 | 120.8° | 120.0° |
| C11 | C13 | N21 | C22 | 71.4° | 154.9° |
| C11 | C13 | N21 | H21 | 108.6° | 25.0° |
| C11 | C13 | C14 | C15 | 172.5° | 175.0° |
| C11 | C13 | C14 | H141 | 52.5° | 65.0° |
| C11 | C13 | C14 | H142 | 67.5° | 55.0° |
| N21 | C13 | C14 | H131 | 120.2° | 120.0° |
| C13 | N21 | C22 | H21 | 180.0° | 179.9° |
| C13 | N21 | C22 | O24 | 174.3° | 180.0° |
| C13 | N21 | C22 | O23 | 1.4° | 0.2° |
| N21 | C13 | C14 | C15 | 53.5° | 64.9° |
| N21 | C13 | C14 | H141 | 66.5° | 55.0° |
| N21 | C13 | C14 | H142 | 173.5° | 175.0° |
| C14 | C13 | N21 | C22 | 170.2° | 85.0° |
| C14 | C13 | N21 | H21 | 9.8° | 95.1° |
| C13 | C14 | C15 | H141 | 120.0° | 120.0° |
| C13 | C14 | C15 | H142 | 120.0° | 120.1° |
| C13 | C14 | H141 | H142 | 118.6° | 120.0° |
| C13 | C14 | C15 | C16 | 34.7° | 90.0° |
| C13 | C14 | C15 | C20 | 136.9° | 90.3° |
| H131 | C13 | N21 | C22 | 49.5° | 34.9° |
| H131 | C13 | N21 | H21 | 130.6° | 145.0° |
| H131 | C13 | C14 | C15 | 66.6° | 55.1° |
| H131 | C13 | C14 | H141 | 173.3° | 175.0° |
| H131 | C13 | C14 | H142 | 53.3° | 65.0° |
| N21 | C22 | O24 | O23 | 175.7° | 179.8° |
| N21 | C22 | O24 | C25 | 174.3° | 179.8° |
| H21 | N21 | C22 | O24 | 5.6° | 0.1° |
| H21 | N21 | C22 | O23 | 178.6° | 179.7° |
| C22 | O24 | C25 | C26 | 160.1° | 180.0° |
| C22 | O24 | C25 | H251 | 79.9° | 60.0° |
| C22 | O24 | C25 | H252 | 40.1° | 60.0° |
| O23 | C22 | O24 | C25 | 1.4° | 0.0° |
| O24 | C25 | C26 | H251 | 120.0° | 120.0° |
| O24 | C25 | C26 | H252 | 120.0° | 120.0° |
| O24 | C25 | H251 | H252 | 119.5° | 120.0° |
| O24 | C25 | C26 | C27 | 103.6° | 90.0° |
| O24 | C25 | C26 | C31 | 67.6° | 89.7° |
| C26 | C25 | H251 | H252 | 119.5° | 120.0° |
| C25 | C26 | C27 | C31 | 171.3° | 179.7° |
| C25 | C26 | C27 | C28 | 170.4° | 179.7° |
| C25 | C26 | C27 | H271 | 9.5° | 0.1° |
| C25 | C26 | C31 | C30 | 170.3° | 180.0° |
| C25 | C26 | C31 | H311 | 9.7° | 0.0° |
| H251 | C25 | C26 | C27 | 136.4° | 30.0° |
| H251 | C25 | C26 | C31 | 52.4° | 150.3° |
| H252 | C25 | C26 | C27 | 16.4° | 150.1° |
| H252 | C25 | C26 | C31 | 172.4° | 30.3° |
| C26 | C27 | C28 | H271 | 180.0° | 179.6° |
| C26 | C27 | C28 | C29 | 0.2° | 0.6° |
| C26 | C27 | C28 | H281 | 179.8° | 179.6° |
| C27 | C26 | C31 | C30 | 0.9° | 0.4° |
| C27 | C26 | C31 | H311 | 179.1° | 179.7° |
| C31 | C26 | C27 | C28 | 0.9° | 0.7° |
| C31 | C26 | C27 | H271 | 179.2° | 179.8° |
| C26 | C31 | C30 | C29 | 0.2° | 0.1° |
| C26 | C31 | C30 | H311 | 180.0° | 179.9° |
| C26 | C31 | C30 | H301 | 179.8° | 180.0° |
| C27 | C28 | C29 | H281 | 180.0° | 179.7° |
| C27 | C28 | C29 | C30 | 0.5° | 0.3° |
| C27 | C28 | C29 | H291 | 179.5° | 179.7° |
| H271 | C27 | C28 | C29 | 179.8° | 179.8° |
| H271 | C27 | C28 | H281 | 0.2° | 0.1° |
| C28 | C29 | C30 | H291 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.5° | 0.0° |
| C28 | C29 | C30 | H301 | 179.5° | 180.0° |
| H281 | C28 | C29 | C30 | 179.5° | 180.0° |
| H281 | C28 | C29 | H291 | 0.5° | 0.0° |
| C29 | C30 | C31 | H301 | 180.0° | 179.9° |
| C29 | C30 | C31 | H311 | 179.8° | 180.0° |
| H291 | C29 | C30 | C31 | 179.5° | 180.0° |
| H291 | C29 | C30 | H301 | 0.5° | 0.0° |
| H301 | C30 | C31 | H311 | 0.2° | 0.1° |
| C15 | C14 | H141 | H142 | 118.6° | 120.0° |
| C14 | C15 | C16 | C20 | 171.5° | 179.7° |
| C14 | C15 | C16 | C17 | 170.2° | 180.0° |
| C14 | C15 | C16 | H161 | 9.8° | 0.1° |
| C14 | C15 | C20 | C19 | 170.4° | 180.0° |
| C14 | C15 | C20 | H201 | 9.6° | 0.1° |
| H141 | C14 | C15 | C16 | 154.7° | 29.9° |
| H141 | C14 | C15 | C20 | 16.9° | 149.7° |
| H142 | C14 | C15 | C16 | 85.3° | 149.9° |
| H142 | C14 | C15 | C20 | 103.0° | 29.8° |
| C15 | C16 | C17 | H161 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.4° | 0.1° |
| C15 | C16 | C17 | H171 | 179.6° | 179.9° |
| C16 | C15 | C20 | C19 | 1.6° | 0.3° |
| C16 | C15 | C20 | H201 | 178.4° | 179.7° |
| C20 | C15 | C16 | C17 | 1.3° | 0.4° |
| C20 | C15 | C16 | H161 | 178.7° | 179.7° |
| C15 | C20 | C19 | C18 | 0.9° | 0.0° |
| C15 | C20 | C19 | H201 | 180.0° | 179.9° |
| C15 | C20 | C19 | H191 | 179.1° | 180.0° |
| C16 | C17 | C18 | H171 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.2° | 0.2° |
| C16 | C17 | C18 | H181 | 179.8° | 180.0° |
| H161 | C16 | C17 | C18 | 179.6° | 180.0° |
| H161 | C16 | C17 | H171 | 0.4° | 0.0° |
| C17 | C18 | C19 | H181 | 180.0° | 179.8° |
| C17 | C18 | C19 | C20 | 0.0° | 0.2° |
| C17 | C18 | C19 | H191 | 180.0° | 179.7° |
| H171 | C17 | C18 | C19 | 179.7° | 179.8° |
| H171 | C17 | C18 | H181 | 0.3° | 0.0° |
| C18 | C19 | C20 | H191 | 180.0° | 180.0° |
| C18 | C19 | C20 | H201 | 179.1° | 180.0° |
| H181 | C18 | C19 | C20 | 180.0° | 180.0° |
| H181 | C18 | C19 | H191 | 0.0° | 0.1° |
| H191 | C19 | C20 | H201 | 0.9° | 0.1° |
| C3 | C2 | H21A | H22 | 119.3° | 120.0° |
| C2 | C3 | C4 | C8 | 173.2° | 179.7° |
| C2 | C3 | C4 | C5 | 172.6° | 180.0° |
| C2 | C3 | C4 | H41 | 7.5° | 0.1° |
| C2 | C3 | C8 | C7 | 172.7° | 179.8° |
| C2 | C3 | C8 | H81 | 7.3° | 0.0° |
| H21A | C2 | C3 | C4 | 147.3° | 30.0° |
| H21A | C2 | C3 | C8 | 39.5° | 149.7° |
| H22 | C2 | C3 | C4 | 27.3° | 150.0° |
| H22 | C2 | C3 | C8 | 159.5° | 29.7° |
| C3 | C4 | C5 | H41 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.1° |
| C3 | C4 | C5 | H51 | 179.8° | 179.9° |
| C4 | C3 | C8 | C7 | 0.5° | 0.5° |
| C4 | C3 | C8 | H81 | 179.5° | 179.7° |
| C8 | C3 | C4 | C5 | 0.6° | 0.3° |
| C8 | C3 | C4 | H41 | 179.4° | 179.8° |
| C3 | C8 | C7 | C6 | 0.0° | 0.5° |
| C3 | C8 | C7 | H81 | 180.0° | 179.8° |
| C3 | C8 | C7 | H71 | 180.0° | 179.8° |
| C4 | C5 | C6 | H51 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.3° | 0.0° |
| C4 | C5 | C6 | H61 | 179.7° | 180.0° |
| H41 | C4 | C5 | C6 | 179.8° | 180.0° |
| H41 | C4 | C5 | H51 | 0.2° | 0.0° |
| C5 | C6 | C7 | H61 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.4° | 0.2° |
| C5 | C6 | C7 | H71 | 179.6° | 180.0° |
| H51 | C5 | C6 | C7 | 179.7° | 180.0° |
| H51 | C5 | C6 | H61 | 0.3° | 0.0° |
| C6 | C7 | C8 | H71 | 180.0° | 179.7° |
| C6 | C7 | C8 | H81 | 180.0° | 179.7° |
| H61 | C6 | C7 | C8 | 179.5° | 179.8° |
| H61 | C6 | C7 | H71 | 0.4° | 0.1° |
| H71 | C7 | C8 | H81 | 0.0° | 0.0° |
| C36 | C37 | C38 | H371 | 90.0° | 179.9° |
| C36 | C37 | C38 | C39 | 90.0° | 0.0° |
| C36 | C37 | C38 | H381 | 90.0° | 179.9° |
| C37 | C36 | C41 | C40 | 90.0° | 0.6° |
| C37 | C36 | C41 | H411 | 90.0° | 179.7° |
| C41 | C36 | C37 | C38 | 90.0° | 0.3° |
| C41 | C36 | C37 | H371 | 90.0° | 179.8° |
| C36 | C41 | C40 | C39 | 90.0° | 0.6° |
| C36 | C41 | C40 | H411 | 90.0° | 179.7° |
| C36 | C41 | C40 | H401 | 90.0° | 179.7° |
| C37 | C38 | C39 | H381 | 90.0° | 179.9° |
| C37 | C38 | C39 | C40 | 90.0° | 0.0° |
| C37 | C38 | C39 | H391 | 90.0° | 180.0° |
| H371 | C37 | C38 | C39 | 90.0° | 179.9° |
| H371 | C37 | C38 | H381 | 90.0° | 0.0° |
| C38 | C39 | C40 | H391 | 90.0° | 180.0° |
| C38 | C39 | C40 | C41 | 90.0° | 0.3° |
| C38 | C39 | C40 | H401 | 90.0° | 180.0° |
| H381 | C38 | C39 | C40 | 90.0° | 179.9° |
| H381 | C38 | C39 | H391 | 90.0° | 0.1° |
| C39 | C40 | C41 | H401 | 90.0° | 179.7° |
| C39 | C40 | C41 | H411 | 90.0° | 179.7° |
| H391 | C39 | C40 | C41 | 90.0° | 179.7° |
| H391 | C39 | C40 | H401 | 90.0° | 0.0° |
| H401 | C40 | C41 | H411 | 90.0° | 0.0° |
