VS1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C3 | sing | 1.46Å | 1.47Å | |
| N1 | C2 | sing | 1.35Å | 1.38Å | |
| N1 | H1 | sing | 0.97Å | 1.02Å | |
| C3 | C12 | sing | 1.53Å | 1.54Å | |
| C3 | C11 | sing | 1.51Å | 1.48Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C12 | C14 | sing | 1.51Å | 1.50Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C14 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| C14 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | H151 | sing | 1.08Å | 1.10Å | |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | H161 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | H171 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | H181 | sing | 1.08Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.10Å | |
| C11 | N20 | sing | 1.35Å | 1.36Å | |
| C11 | O13 | doub | 1.21Å | 1.24Å | |
| N20 | C21 | sing | 1.46Å | 1.46Å | |
| N20 | H2 | sing | 0.97Å | 1.02Å | |
| C21 | C23 | sing | 1.53Å | 1.57Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C24 | C29 | sing | 1.51Å | 1.51Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C29 | C30 | doub | 1.38Å | 1.41Å | Aromatic |
| C29 | C34 | sing | 1.38Å | 1.41Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.41Å | Aromatic |
| C30 | H301 | sing | 1.08Å | 1.10Å | |
| C31 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | H311 | sing | 1.08Å | 1.10Å | |
| C32 | C33 | sing | 1.38Å | 1.41Å | Aromatic |
| C32 | H321 | sing | 1.08Å | 1.10Å | |
| C33 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | H331 | sing | 1.08Å | 1.10Å | |
| C34 | H341 | sing | 1.08Å | 1.10Å | |
| C25 | S26 | sing | 1.81Å | 1.71Å | |
| C25 | C22 | sing | 1.53Å | 1.34Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.12Å | |
| S26 | C35 | sing | 1.76Å | 1.74Å | |
| S26 | O36 | doub | 1.42Å | 1.47Å | |
| S26 | O35 | doub | 1.42Å | 1.45Å | |
| C35 | C36 | doub | 1.38Å | 1.41Å | Aromatic |
| C35 | C40 | sing | 1.38Å | 1.41Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.41Å | Aromatic |
| C36 | H361 | sing | 1.08Å | 1.10Å | |
| C37 | C38 | doub | 1.38Å | 1.41Å | Aromatic |
| C37 | H372 | sing | 1.08Å | 1.10Å | |
| C38 | C39 | sing | 1.38Å | 1.40Å | Aromatic |
| C38 | H381 | sing | 1.08Å | 1.10Å | |
| C39 | C40 | doub | 1.38Å | 1.41Å | Aromatic |
| C39 | H391 | sing | 1.08Å | 1.10Å | |
| C40 | H401 | sing | 1.08Å | 1.10Å | |
| C2 | O10 | doub | 1.22Å | 1.23Å | |
| C2 | N4 | sing | 1.35Å | 1.38Å | |
| N4 | C5 | sing | 1.47Å | 1.49Å | |
| N4 | C9 | sing | 1.47Å | 1.48Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C6 | O7 | sing | 1.43Å | 1.42Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| O7 | C8 | sing | 1.43Å | 1.44Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | N1 | C2 | 120.5° | 120.1° |
| C3 | N1 | H1 | 108.3° | 120.0° |
| N1 | C3 | C12 | 113.3° | 109.5° |
| N1 | C3 | C11 | 106.1° | 109.5° |
| N1 | C3 | H31 | 108.9° | 109.5° |
| C2 | N1 | H1 | 108.2° | 120.0° |
| N1 | C2 | O10 | 120.3° | 120.0° |
| N1 | C2 | N4 | 116.6° | 120.1° |
| C12 | C3 | C11 | 108.7° | 109.4° |
| C12 | C3 | H31 | 106.4° | 109.5° |
| C3 | C12 | C14 | 111.9° | 109.4° |
| C3 | C12 | H121 | 111.3° | 109.5° |
| C3 | C12 | H122 | 111.3° | 109.5° |
| C11 | C3 | H31 | 113.5° | 109.4° |
| C3 | C11 | N20 | 115.9° | 120.0° |
| C3 | C11 | O13 | 122.6° | 119.9° |
| C14 | C12 | H121 | 111.3° | 109.4° |
| C14 | C12 | H122 | 111.3° | 109.5° |
| C12 | C14 | C15 | 122.3° | 120.0° |
| C12 | C14 | C19 | 118.5° | 120.0° |
| H121 | C12 | H122 | 99.1° | 109.5° |
| C15 | C14 | C19 | 119.2° | 120.1° |
| C14 | C15 | C16 | 120.4° | 120.0° |
| C14 | C15 | H151 | 120.1° | 120.0° |
| C14 | C19 | C18 | 120.0° | 120.0° |
| C14 | C19 | H191 | 120.1° | 120.0° |
| C16 | C15 | H151 | 119.4° | 120.0° |
| C15 | C16 | C17 | 120.2° | 120.0° |
| C15 | C16 | H161 | 120.0° | 120.0° |
| C17 | C16 | H161 | 119.8° | 120.0° |
| C16 | C17 | C18 | 119.8° | 120.0° |
| C16 | C17 | H171 | 119.9° | 119.9° |
| C18 | C17 | H171 | 120.3° | 120.0° |
| C17 | C18 | C19 | 120.3° | 120.0° |
| C17 | C18 | H181 | 119.7° | 120.0° |
| C19 | C18 | H181 | 120.0° | 120.0° |
| C18 | C19 | H191 | 119.9° | 120.0° |
| N20 | C11 | O13 | 121.5° | 120.1° |
| C11 | N20 | C21 | 117.6° | 120.0° |
| C11 | N20 | H2 | 117.8° | 120.0° |
| C21 | N20 | H2 | 124.7° | 120.0° |
| N20 | C21 | C23 | 110.4° | 109.5° |
| N20 | C21 | C22 | 112.7° | 109.5° |
| N20 | C21 | H211 | 106.4° | 109.4° |
| C23 | C21 | C22 | 108.9° | 109.5° |
| C23 | C21 | H211 | 110.3° | 109.4° |
| C21 | C23 | C24 | 114.0° | 109.5° |
| C21 | C23 | H231 | 110.6° | 109.4° |
| C21 | C23 | H232 | 110.6° | 109.5° |
| C22 | C21 | H211 | 108.0° | 109.4° |
| C21 | C22 | C25 | 111.0° | 109.5° |
| C21 | C22 | H221 | 111.6° | 109.5° |
| C21 | C22 | H222 | 111.6° | 109.4° |
| C24 | C23 | H231 | 110.6° | 109.5° |
| C24 | C23 | H232 | 110.5° | 109.5° |
| C23 | C24 | C29 | 111.3° | 109.5° |
| C23 | C24 | H241 | 111.6° | 109.5° |
| C23 | C24 | H242 | 111.5° | 109.5° |
| H231 | C23 | H232 | 99.7° | 109.4° |
| C29 | C24 | H241 | 111.5° | 109.5° |
| C29 | C24 | H242 | 111.5° | 109.5° |
| C24 | C29 | C30 | 120.0° | 120.0° |
| C24 | C29 | C34 | 120.4° | 120.0° |
| H241 | C24 | H242 | 98.8° | 109.5° |
| C30 | C29 | C34 | 119.5° | 120.0° |
| C29 | C30 | C31 | 120.2° | 120.0° |
| C29 | C30 | H301 | 119.9° | 120.0° |
| C29 | C34 | C33 | 120.6° | 120.0° |
| C29 | C34 | H341 | 119.8° | 120.0° |
| C31 | C30 | H301 | 119.8° | 120.0° |
| C30 | C31 | C32 | 119.8° | 120.0° |
| C30 | C31 | H311 | 120.2° | 120.0° |
| C32 | C31 | H311 | 120.0° | 120.0° |
| C31 | C32 | C33 | 120.4° | 120.0° |
| C31 | C32 | H321 | 119.7° | 120.0° |
| C33 | C32 | H321 | 119.9° | 120.0° |
| C32 | C33 | C34 | 119.5° | 120.0° |
| C32 | C33 | H331 | 120.3° | 120.0° |
| C34 | C33 | H331 | 120.1° | 120.0° |
| C33 | C34 | H341 | 119.6° | 120.0° |
| S26 | C25 | C22 | 124.2° | 109.5° |
| S26 | C25 | H251 | 107.1° | 109.5° |
| S26 | C25 | H252 | 107.1° | 109.4° |
| C25 | S26 | C35 | 103.2° | 103.2° |
| C25 | S26 | O36 | 105.6° | 111.7° |
| C25 | S26 | O35 | 112.2° | 111.6° |
| C22 | C25 | H251 | 107.0° | 109.5° |
| C22 | C25 | H252 | 107.0° | 109.4° |
| C25 | C22 | H221 | 111.7° | 109.5° |
| C25 | C22 | H222 | 111.7° | 109.4° |
| H251 | C25 | H252 | 102.6° | 109.4° |
| C35 | S26 | O36 | 107.9° | 102.9° |
| C35 | S26 | O35 | 111.3° | 102.8° |
| S26 | C35 | C36 | 119.4° | 120.0° |
| S26 | C35 | C40 | 121.8° | 120.0° |
| O36 | S26 | O35 | 115.9° | 122.0° |
| C36 | C35 | C40 | 118.6° | 120.0° |
| C35 | C36 | C37 | 120.4° | 120.0° |
| C35 | C36 | H361 | 119.9° | 120.0° |
| C35 | C40 | C39 | 120.9° | 120.1° |
| C35 | C40 | H401 | 119.5° | 120.0° |
| C37 | C36 | H361 | 119.7° | 120.0° |
| C36 | C37 | C38 | 120.4° | 120.0° |
| C36 | C37 | H372 | 119.9° | 120.0° |
| C38 | C37 | H372 | 119.7° | 120.0° |
| C37 | C38 | C39 | 119.3° | 120.0° |
| C37 | C38 | H381 | 120.6° | 120.0° |
| C39 | C38 | H381 | 120.2° | 120.0° |
| C38 | C39 | C40 | 120.4° | 120.0° |
| C38 | C39 | H391 | 119.6° | 119.9° |
| C40 | C39 | H391 | 120.1° | 120.1° |
| C39 | C40 | H401 | 119.6° | 119.9° |
| O10 | C2 | N4 | 119.3° | 120.0° |
| C2 | N4 | C5 | 118.7° | 121.3° |
| C2 | N4 | C9 | 120.3° | 121.2° |
| C5 | N4 | C9 | 115.2° | 117.5° |
| N4 | C5 | C6 | 107.6° | 108.1° |
| N4 | C5 | H51 | 112.9° | 109.7° |
| N4 | C5 | H52 | 113.0° | 109.7° |
| N4 | C9 | C8 | 108.2° | 108.4° |
| N4 | C9 | H91 | 112.7° | 109.9° |
| N4 | C9 | H92 | 112.7° | 109.4° |
| C6 | C5 | H51 | 112.9° | 109.7° |
| C6 | C5 | H52 | 112.9° | 109.7° |
| C5 | C6 | O7 | 107.4° | 109.6° |
| C5 | C6 | H61 | 113.0° | 109.4° |
| C5 | C6 | H62 | 113.0° | 109.4° |
| H51 | C5 | H52 | 97.5° | 109.8° |
| O7 | C6 | H61 | 112.9° | 109.5° |
| O7 | C6 | H62 | 112.9° | 109.5° |
| C6 | O7 | C8 | 113.0° | 107.7° |
| H61 | C6 | H62 | 97.5° | 109.4° |
| O7 | C8 | C9 | 110.0° | 109.7° |
| O7 | C8 | H81 | 112.0° | 109.5° |
| O7 | C8 | H82 | 112.0° | 109.5° |
| C9 | C8 | H81 | 112.0° | 109.5° |
| C9 | C8 | H82 | 112.0° | 109.3° |
| C8 | C9 | H91 | 112.7° | 109.7° |
| C8 | C9 | H92 | 112.7° | 109.7° |
| H81 | C8 | H82 | 98.4° | 109.4° |
| H91 | C9 | H92 | 97.8° | 109.7° |
| H221 | C22 | H222 | 98.7° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | N1 | C2 | H1 | 125.3° | 180.0° |
| N1 | C3 | C12 | C11 | 117.7° | 120.1° |
| N1 | C3 | C12 | H31 | 119.7° | 120.0° |
| N1 | C3 | C11 | H31 | 119.6° | 120.0° |
| N1 | C3 | C12 | C14 | 56.2° | 60.0° |
| N1 | C3 | C12 | H121 | 69.0° | 60.0° |
| N1 | C3 | C12 | H122 | 178.5° | 179.9° |
| N1 | C3 | C11 | N20 | 138.6° | 179.7° |
| N1 | C3 | C11 | O13 | 41.8° | 0.0° |
| C3 | N1 | C2 | O10 | 12.9° | 4.0° |
| C3 | N1 | C2 | N4 | 170.8° | 176.0° |
| C2 | N1 | C3 | C12 | 167.6° | 90.0° |
| C2 | N1 | C3 | C11 | 73.2° | 150.0° |
| C2 | N1 | C3 | H31 | 49.4° | 30.0° |
| N1 | C2 | O10 | N4 | 157.3° | 180.0° |
| N1 | C2 | N4 | C5 | 174.3° | 174.4° |
| N1 | C2 | N4 | C9 | 34.1° | 5.9° |
| H1 | N1 | C3 | C12 | 42.4° | 90.0° |
| H1 | N1 | C3 | C11 | 161.6° | 30.0° |
| H1 | N1 | C3 | H31 | 75.9° | 150.0° |
| H1 | N1 | C2 | O10 | 138.2° | 175.9° |
| H1 | N1 | C2 | N4 | 63.9° | 4.1° |
| C12 | C3 | C11 | H31 | 118.2° | 120.0° |
| C3 | C12 | C14 | H121 | 125.2° | 120.0° |
| C3 | C12 | C14 | H122 | 125.3° | 120.0° |
| C3 | C12 | H121 | H122 | 117.2° | 120.1° |
| C3 | C12 | C14 | C15 | 35.5° | 90.0° |
| C3 | C12 | C14 | C19 | 143.8° | 90.3° |
| C12 | C3 | C11 | N20 | 99.2° | 60.3° |
| C12 | C3 | C11 | O13 | 80.3° | 120.0° |
| C11 | C3 | C12 | C14 | 173.9° | 180.0° |
| C11 | C3 | C12 | H121 | 48.7° | 60.1° |
| C11 | C3 | C12 | H122 | 60.8° | 60.0° |
| C3 | C11 | N20 | O13 | 179.6° | 179.7° |
| C3 | C11 | N20 | C21 | 177.9° | 179.7° |
| C3 | C11 | N20 | H2 | 2.2° | 0.3° |
| H31 | C3 | C12 | C14 | 63.5° | 60.0° |
| H31 | C3 | C12 | H121 | 171.3° | 180.0° |
| H31 | C3 | C12 | H122 | 61.8° | 59.9° |
| H31 | C3 | C11 | N20 | 19.0° | 59.7° |
| H31 | C3 | C11 | O13 | 161.4° | 120.0° |
| C14 | C12 | H121 | H122 | 117.3° | 120.0° |
| C12 | C14 | C15 | C19 | 179.2° | 179.7° |
| C12 | C14 | C15 | C16 | 176.0° | 180.0° |
| C12 | C14 | C15 | H151 | 3.9° | 0.0° |
| C12 | C14 | C19 | C18 | 177.2° | 179.8° |
| C12 | C14 | C19 | H191 | 2.7° | 0.2° |
| H121 | C12 | C14 | C15 | 160.7° | 30.0° |
| H121 | C12 | C14 | C19 | 18.6° | 149.7° |
| H122 | C12 | C14 | C15 | 89.8° | 150.0° |
| H122 | C12 | C14 | C19 | 91.0° | 29.7° |
| C14 | C15 | C16 | H151 | 179.9° | 180.0° |
| C14 | C15 | C16 | C17 | 2.0° | 0.0° |
| C14 | C15 | C16 | H161 | 178.0° | 180.0° |
| C15 | C14 | C19 | C18 | 2.0° | 0.4° |
| C15 | C14 | C19 | H191 | 178.0° | 179.9° |
| C19 | C14 | C15 | C16 | 3.2° | 0.2° |
| C19 | C14 | C15 | H151 | 176.9° | 179.8° |
| C14 | C19 | C18 | C17 | 0.3° | 0.4° |
| C14 | C19 | C18 | H191 | 180.0° | 179.6° |
| C14 | C19 | C18 | H181 | 179.7° | 179.8° |
| C15 | C16 | C17 | H161 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.4° | 0.0° |
| C15 | C16 | C17 | H171 | 179.6° | 180.0° |
| H151 | C15 | C16 | C17 | 178.1° | 180.0° |
| H151 | C15 | C16 | H161 | 2.0° | 0.0° |
| C16 | C17 | C18 | H171 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 1.6° | 0.2° |
| C16 | C17 | C18 | H181 | 178.5° | 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 | H191 | 179.6° | 180.0° |
| H171 | C17 | C18 | C19 | 178.4° | 179.8° |
| H171 | C17 | C18 | H181 | 1.6° | 0.0° |
| H181 | C18 | C19 | H191 | 0.3° | 0.1° |
| C11 | N20 | C21 | H2 | 180.0° | 179.9° |
| C11 | N20 | C21 | C23 | 112.7° | 89.9° |
| C11 | N20 | C21 | C22 | 125.2° | 150.0° |
| C11 | N20 | C21 | H211 | 7.1° | 30.0° |
| O13 | C11 | N20 | C21 | 1.7° | 0.0° |
| O13 | C11 | N20 | H2 | 178.3° | 180.0° |
| N20 | C21 | C23 | C22 | 124.3° | 120.1° |
| N20 | C21 | C23 | H211 | 117.3° | 120.0° |
| N20 | C21 | C22 | H211 | 117.2° | 119.9° |
| N20 | C21 | C23 | C24 | 66.1° | 60.0° |
| N20 | C21 | C23 | H231 | 59.2° | 60.0° |
| N20 | C21 | C23 | H232 | 168.7° | 180.0° |
| N20 | C21 | C22 | C25 | 73.4° | 59.9° |
| N20 | C21 | C22 | H221 | 51.9° | 180.0° |
| N20 | C21 | C22 | H222 | 161.3° | 60.1° |
| H2 | N20 | C21 | C23 | 67.3° | 90.0° |
| H2 | N20 | C21 | C22 | 54.8° | 30.1° |
| H2 | N20 | C21 | H211 | 173.0° | 150.0° |
| C23 | C21 | C22 | H211 | 119.9° | 120.0° |
| C21 | C23 | C24 | H231 | 125.3° | 120.0° |
| C21 | C23 | C24 | H232 | 125.3° | 120.0° |
| C21 | C23 | H231 | H232 | 116.4° | 120.0° |
| C21 | C23 | C24 | C29 | 179.7° | 180.0° |
| C21 | C23 | C24 | H241 | 54.4° | 60.0° |
| C21 | C23 | C24 | H242 | 55.1° | 60.0° |
| C23 | C21 | C22 | C25 | 49.5° | 180.0° |
| C23 | C21 | C22 | H221 | 174.7° | 59.9° |
| C23 | C21 | C22 | H222 | 75.8° | 60.0° |
| C22 | C21 | C23 | C24 | 169.7° | 180.0° |
| C22 | C21 | C23 | H231 | 65.1° | 60.0° |
| C22 | C21 | C23 | H232 | 44.4° | 59.9° |
| C21 | C22 | C25 | S26 | 135.9° | 180.0° |
| C21 | C22 | C25 | H221 | 125.2° | 120.1° |
| C21 | C22 | C25 | H222 | 125.2° | 119.9° |
| C21 | C22 | C25 | H251 | 98.8° | 59.9° |
| C21 | C22 | C25 | H252 | 10.6° | 60.1° |
| C21 | C22 | H221 | H222 | 117.5° | 120.0° |
| H211 | C21 | C23 | C24 | 51.3° | 60.0° |
| H211 | C21 | C23 | H231 | 176.6° | 180.0° |
| H211 | C21 | C23 | H232 | 74.0° | 60.0° |
| H211 | C21 | C22 | C25 | 169.3° | 60.1° |
| H211 | C21 | C22 | H221 | 65.4° | 60.0° |
| H211 | C21 | C22 | H222 | 44.1° | 180.0° |
| C24 | C23 | H231 | H232 | 116.4° | 120.0° |
| C23 | C24 | C29 | H241 | 125.3° | 120.0° |
| C23 | C24 | C29 | H242 | 125.3° | 120.0° |
| C23 | C24 | H241 | H242 | 117.4° | 120.0° |
| C23 | C24 | C29 | C30 | 88.7° | 90.0° |
| C23 | C24 | C29 | C34 | 86.8° | 90.3° |
| H231 | C23 | C24 | C29 | 55.1° | 60.0° |
| H231 | C23 | C24 | H241 | 179.7° | 180.0° |
| H231 | C23 | C24 | H242 | 70.2° | 60.0° |
| H232 | C23 | C24 | C29 | 54.4° | 60.0° |
| H232 | C23 | C24 | H241 | 70.9° | 60.0° |
| H232 | C23 | C24 | H242 | 179.7° | 180.0° |
| C29 | C24 | H241 | H242 | 117.4° | 120.0° |
| C24 | C29 | C30 | C34 | 175.5° | 179.7° |
| C24 | C29 | C30 | C31 | 175.1° | 180.0° |
| C24 | C29 | C30 | H301 | 4.9° | 0.0° |
| C24 | C29 | C34 | C33 | 175.2° | 179.8° |
| C24 | C29 | C34 | H341 | 4.8° | 0.2° |
| H241 | C24 | C29 | C30 | 146.0° | 30.0° |
| H241 | C24 | C29 | C34 | 38.5° | 149.7° |
| H242 | C24 | C29 | C30 | 36.6° | 150.0° |
| H242 | C24 | C29 | C34 | 147.9° | 29.7° |
| C29 | C30 | C31 | H301 | 179.9° | 180.0° |
| C29 | C30 | C31 | C32 | 0.0° | 0.0° |
| C29 | C30 | C31 | H311 | 180.0° | 179.9° |
| C30 | C29 | C34 | C33 | 0.3° | 0.5° |
| C30 | C29 | C34 | H341 | 179.6° | 179.9° |
| C34 | C29 | C30 | C31 | 0.4° | 0.3° |
| C34 | C29 | C30 | H301 | 179.5° | 179.7° |
| C29 | C34 | C33 | C32 | 0.2° | 0.4° |
| C29 | C34 | C33 | H341 | 180.0° | 179.6° |
| C29 | C34 | C33 | H331 | 179.8° | 179.7° |
| C30 | C31 | C32 | H311 | 180.0° | 179.9° |
| C30 | C31 | C32 | C33 | 0.5° | 0.0° |
| C30 | C31 | C32 | H321 | 179.5° | 179.9° |
| H301 | C30 | C31 | C32 | 179.9° | 180.0° |
| H301 | C30 | C31 | H311 | 0.0° | 0.1° |
| C31 | C32 | C33 | H321 | 179.9° | 180.0° |
| C31 | C32 | C33 | C34 | 0.6° | 0.2° |
| C31 | C32 | C33 | H331 | 179.4° | 179.9° |
| H311 | C31 | C32 | C33 | 179.5° | 180.0° |
| H311 | C31 | C32 | H321 | 0.5° | 0.0° |
| C32 | C33 | C34 | H331 | 180.0° | 179.9° |
| C32 | C33 | C34 | H341 | 179.8° | 180.0° |
| H321 | C32 | C33 | C34 | 179.5° | 179.9° |
| H321 | C32 | C33 | H331 | 0.6° | 0.0° |
| H331 | C33 | C34 | H341 | 0.2° | 0.0° |
| S26 | C25 | C22 | H251 | 125.3° | 120.1° |
| S26 | C25 | C22 | H252 | 125.3° | 119.9° |
| S26 | C25 | H251 | H252 | 112.5° | 120.0° |
| C25 | S26 | C35 | O36 | 111.4° | 116.3° |
| C25 | S26 | C35 | O35 | 120.5° | 116.1° |
| C25 | S26 | O36 | O35 | 124.8° | 135.7° |
| C25 | S26 | C35 | C36 | 109.1° | 90.1° |
| C25 | S26 | C35 | C40 | 75.8° | 90.2° |
| S26 | C25 | C22 | H221 | 98.9° | 59.9° |
| S26 | C25 | C22 | H222 | 10.6° | 60.1° |
| C22 | C25 | H251 | H252 | 112.4° | 119.9° |
| C22 | C25 | S26 | C35 | 180.0° | 180.0° |
| C22 | C25 | S26 | O36 | 66.9° | 70.1° |
| C22 | C25 | S26 | O35 | 60.1° | 70.3° |
| C25 | C22 | H221 | H222 | 117.6° | 119.9° |
| H251 | C25 | S26 | C35 | 54.7° | 59.9° |
| H251 | C25 | S26 | O36 | 167.8° | 169.8° |
| H251 | C25 | S26 | O35 | 65.1° | 49.8° |
| H251 | C25 | C22 | H221 | 26.5° | 180.0° |
| H251 | C25 | C22 | H222 | 136.0° | 60.1° |
| H252 | C25 | S26 | C35 | 54.8° | 60.0° |
| H252 | C25 | S26 | O36 | 58.4° | 49.8° |
| H252 | C25 | S26 | O35 | 174.6° | 169.8° |
| H252 | C25 | C22 | H221 | 135.8° | 60.0° |
| H252 | C25 | C22 | H222 | 114.6° | 180.0° |
| C35 | S26 | O36 | O35 | 125.4° | 114.3° |
| S26 | C35 | C36 | C40 | 175.2° | 179.7° |
| S26 | C35 | C36 | C37 | 172.8° | 180.0° |
| S26 | C35 | C36 | H361 | 7.3° | 0.1° |
| S26 | C35 | C40 | C39 | 172.4° | 179.8° |
| S26 | C35 | C40 | H401 | 7.6° | 0.3° |
| O36 | S26 | C35 | C36 | 2.3° | 26.2° |
| O36 | S26 | C35 | C40 | 172.8° | 153.5° |
| O35 | S26 | C35 | C36 | 130.4° | 153.8° |
| O35 | S26 | C35 | C40 | 44.7° | 25.9° |
| C35 | C36 | C37 | H361 | 180.0° | 179.9° |
| C35 | C36 | C37 | C38 | 0.5° | 0.1° |
| C35 | C36 | C37 | H372 | 179.5° | 179.9° |
| C36 | C35 | C40 | C39 | 2.7° | 0.5° |
| C36 | C35 | C40 | H401 | 177.2° | 179.9° |
| C40 | C35 | C36 | C37 | 2.5° | 0.3° |
| C40 | C35 | C36 | H361 | 177.5° | 179.8° |
| C35 | C40 | C39 | C38 | 1.1° | 0.5° |
| C35 | C40 | C39 | H401 | 180.0° | 179.5° |
| C35 | C40 | C39 | H391 | 179.0° | 179.7° |
| C36 | C37 | C38 | H372 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 1.2° | 0.0° |
| C36 | C37 | C38 | H381 | 178.8° | 179.9° |
| H361 | C36 | C37 | C38 | 179.4° | 180.0° |
| H361 | C36 | C37 | H372 | 0.5° | 0.0° |
| C37 | C38 | C39 | H381 | 180.0° | 179.9° |
| C37 | C38 | C39 | C40 | 0.9° | 0.2° |
| C37 | C38 | C39 | H391 | 179.0° | 179.9° |
| H372 | C37 | C38 | C39 | 178.8° | 180.0° |
| H372 | C37 | C38 | H381 | 1.2° | 0.1° |
| C38 | C39 | C40 | H391 | 179.9° | 179.8° |
| C38 | C39 | C40 | H401 | 178.9° | 180.0° |
| H381 | C38 | C39 | C40 | 179.1° | 179.9° |
| H381 | C38 | C39 | H391 | 1.0° | 0.0° |
| H391 | C39 | C40 | H401 | 1.0° | 0.2° |
| O10 | C2 | N4 | C5 | 16.2° | 5.6° |
| O10 | C2 | N4 | C9 | 167.8° | 174.1° |
| C2 | N4 | C5 | C9 | 153.0° | 179.7° |
| C2 | N4 | C5 | C6 | 150.6° | 132.9° |
| C2 | N4 | C5 | H51 | 84.2° | 107.4° |
| C2 | N4 | C5 | H52 | 25.3° | 13.2° |
| C2 | N4 | C9 | C8 | 155.2° | 133.0° |
| C2 | N4 | C9 | H91 | 30.0° | 13.1° |
| C2 | N4 | C9 | H92 | 79.6° | 107.4° |
| N4 | C5 | C6 | H51 | 125.3° | 119.6° |
| N4 | C5 | C6 | H52 | 125.3° | 119.7° |
| N4 | C5 | H51 | H52 | 118.9° | 120.7° |
| N4 | C5 | C6 | O7 | 59.2° | 55.8° |
| N4 | C5 | C6 | H61 | 175.5° | 175.9° |
| N4 | C5 | C6 | H62 | 66.0° | 64.2° |
| C5 | N4 | C9 | C8 | 52.2° | 46.7° |
| C5 | N4 | C9 | H91 | 177.5° | 166.6° |
| C5 | N4 | C9 | H92 | 73.0° | 72.9° |
| C9 | N4 | C5 | C6 | 56.4° | 46.8° |
| C9 | N4 | C5 | H51 | 68.8° | 72.9° |
| C9 | N4 | C5 | H52 | 178.3° | 166.5° |
| N4 | C9 | C8 | O7 | 51.8° | 55.6° |
| N4 | C9 | C8 | H91 | 125.3° | 120.0° |
| N4 | C9 | C8 | H92 | 125.3° | 119.4° |
| N4 | C9 | C8 | H81 | 177.1° | 175.7° |
| N4 | C9 | C8 | H82 | 73.4° | 64.4° |
| N4 | C9 | H91 | H92 | 118.7° | 120.3° |
| C6 | C5 | H51 | H52 | 118.8° | 120.7° |
| C5 | C6 | O7 | H61 | 125.3° | 120.0° |
| C5 | C6 | O7 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H62 | 119.0° | 119.9° |
| C5 | C6 | O7 | C8 | 65.5° | 68.8° |
| H51 | C5 | C6 | O7 | 66.0° | 63.8° |
| H51 | C5 | C6 | H61 | 59.2° | 56.3° |
| H51 | C5 | C6 | H62 | 168.7° | 176.1° |
| H52 | C5 | C6 | O7 | 175.4° | 175.5° |
| H52 | C5 | C6 | H61 | 50.2° | 64.4° |
| H52 | C5 | C6 | H62 | 59.3° | 55.4° |
| O7 | C6 | H61 | H62 | 118.8° | 120.0° |
| C6 | O7 | C8 | C9 | 62.1° | 68.6° |
| C6 | O7 | C8 | H81 | 172.6° | 171.2° |
| C6 | O7 | C8 | H82 | 63.2° | 51.2° |
| H61 | C6 | O7 | C8 | 169.2° | 171.2° |
| H62 | C6 | O7 | C8 | 59.8° | 51.2° |
| O7 | C8 | C9 | H81 | 125.3° | 120.1° |
| O7 | C8 | C9 | H82 | 125.2° | 120.0° |
| O7 | C8 | H81 | H82 | 117.9° | 120.0° |
| O7 | C8 | C9 | H91 | 177.1° | 175.5° |
| O7 | C8 | C9 | H92 | 73.4° | 63.8° |
| C9 | C8 | H81 | H82 | 118.0° | 119.8° |
| C8 | C9 | H91 | H92 | 118.6° | 120.6° |
| H81 | C8 | C9 | H91 | 57.7° | 64.3° |
| H81 | C8 | C9 | H92 | 51.8° | 56.3° |
| H82 | C8 | C9 | H91 | 51.8° | 55.5° |
| H82 | C8 | C9 | H92 | 161.3° | 176.2° |
