VS2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C1 | C7 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | H21 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | H31 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | H41 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | H51 | sing | 1.08Å | 1.10Å | |
| C6 | H61 | sing | 1.08Å | 1.10Å | |
| C7 | O1 | sing | 1.45Å | 1.43Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| O1 | C8 | sing | 1.35Å | 1.34Å | |
| C8 | O2 | doub | 1.21Å | 1.23Å | |
| C8 | N1 | sing | 1.35Å | 1.36Å | |
| N1 | C9 | sing | 1.46Å | 1.47Å | |
| N1 | HN11 | sing | 0.97Å | 1.02Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C17 | sing | 1.51Å | 1.49Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | H121 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | H131 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | H141 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | H151 | sing | 1.08Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.10Å | |
| C17 | O3 | doub | 1.21Å | 1.24Å | |
| C17 | N2 | sing | 1.35Å | 1.35Å | |
| N2 | C18 | sing | 1.46Å | 1.46Å | |
| N2 | HN21 | sing | 0.97Å | 1.02Å | |
| C18 | C19 | sing | 1.53Å | 1.56Å | |
| C18 | C27 | sing | 1.53Å | 1.53Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.11Å | |
| C20 | C21 | sing | 1.51Å | 1.50Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.12Å | |
| C21 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | C26 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | H221 | sing | 1.08Å | 1.10Å | |
| C23 | C24 | doub | 1.38Å | 1.41Å | Aromatic |
| C23 | H231 | sing | 1.08Å | 1.10Å | |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | H241 | sing | 1.08Å | 1.10Å | |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | H251 | sing | 1.08Å | 1.10Å | |
| C26 | H261 | sing | 1.08Å | 1.10Å | |
| C28 | S1 | sing | 1.81Å | 1.73Å | |
| C28 | C27 | sing | 1.53Å | 1.35Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| S1 | O4 | doub | 1.42Å | 1.45Å | |
| S1 | O5 | doub | 1.42Å | 1.45Å | |
| S1 | C29 | sing | 1.81Å | 1.83Å | |
| C29 | C30 | sing | 1.51Å | 1.54Å | |
| C29 | H291 | sing | 1.09Å | 1.11Å | |
| C29 | H292 | sing | 1.09Å | 1.11Å | |
| C30 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
| C30 | C35 | sing | 1.38Å | 1.41Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.41Å | Aromatic |
| C31 | H311 | sing | 1.08Å | 1.10Å | |
| C32 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | H321 | sing | 1.08Å | 1.10Å | |
| C33 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | H331 | sing | 1.08Å | 1.10Å | |
| C34 | C35 | doub | 1.38Å | 1.42Å | Aromatic |
| C34 | H341 | sing | 1.08Å | 1.10Å | |
| C35 | H351 | sing | 1.08Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C27 | H272 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.1° | 120.0° |
| C2 | C1 | C7 | 119.8° | 120.0° |
| C1 | C2 | C3 | 120.4° | 120.0° |
| C1 | C2 | H21 | 119.8° | 120.0° |
| C6 | C1 | C7 | 120.5° | 120.0° |
| C1 | C6 | C5 | 120.2° | 120.0° |
| C1 | C6 | H61 | 120.0° | 120.0° |
| C1 | C7 | O1 | 111.1° | 109.5° |
| C1 | C7 | H71 | 111.6° | 109.5° |
| C1 | C7 | H72 | 111.6° | 109.5° |
| C3 | C2 | H21 | 119.7° | 120.0° |
| C2 | C3 | C4 | 120.1° | 120.0° |
| C2 | C3 | H31 | 120.3° | 120.0° |
| C4 | C3 | H31 | 119.6° | 120.0° |
| C3 | C4 | C5 | 119.9° | 120.0° |
| C3 | C4 | H41 | 120.1° | 120.0° |
| C5 | C4 | H41 | 120.1° | 120.0° |
| C4 | C5 | C6 | 120.3° | 120.0° |
| C4 | C5 | H51 | 119.5° | 120.0° |
| C6 | C5 | H51 | 120.2° | 120.0° |
| C5 | C6 | H61 | 119.8° | 120.0° |
| O1 | C7 | H71 | 111.6° | 109.5° |
| O1 | C7 | H72 | 111.6° | 109.4° |
| C7 | O1 | C8 | 119.6° | 120.0° |
| H71 | C7 | H72 | 98.8° | 109.5° |
| O1 | C8 | O2 | 123.1° | 120.0° |
| O1 | C8 | N1 | 112.8° | 120.0° |
| O2 | C8 | N1 | 123.5° | 120.0° |
| C8 | N1 | C9 | 122.7° | 120.0° |
| C8 | N1 | HN11 | 114.6° | 119.9° |
| C9 | N1 | HN11 | 122.7° | 120.0° |
| N1 | C9 | C10 | 111.1° | 109.5° |
| N1 | C9 | C17 | 109.9° | 109.5° |
| N1 | C9 | H91 | 107.9° | 109.5° |
| C10 | C9 | C17 | 109.2° | 109.4° |
| C10 | C9 | H91 | 108.7° | 109.4° |
| C9 | C10 | C11 | 111.3° | 109.5° |
| C9 | C10 | H101 | 111.5° | 109.5° |
| C9 | C10 | H102 | 111.5° | 109.5° |
| C17 | C9 | H91 | 110.0° | 109.5° |
| C9 | C17 | O3 | 121.7° | 119.9° |
| C9 | C17 | N2 | 117.2° | 120.1° |
| C11 | C10 | H101 | 111.5° | 109.5° |
| C11 | C10 | H102 | 111.5° | 109.4° |
| C10 | C11 | C12 | 117.4° | 120.0° |
| C10 | C11 | C16 | 123.0° | 120.0° |
| H101 | C10 | H102 | 98.9° | 109.4° |
| C12 | C11 | C16 | 119.4° | 119.9° |
| C11 | C12 | C13 | 120.2° | 120.0° |
| C11 | C12 | H121 | 120.0° | 119.9° |
| C11 | C16 | C15 | 120.2° | 120.0° |
| C11 | C16 | H161 | 119.9° | 120.0° |
| C13 | C12 | H121 | 119.8° | 120.0° |
| C12 | C13 | C14 | 120.6° | 120.0° |
| C12 | C13 | H131 | 119.7° | 120.0° |
| C14 | C13 | H131 | 119.7° | 120.0° |
| C13 | C14 | C15 | 119.5° | 120.0° |
| C13 | C14 | H141 | 120.3° | 120.0° |
| C15 | C14 | H141 | 120.2° | 120.0° |
| C14 | C15 | C16 | 120.1° | 120.0° |
| C14 | C15 | H151 | 119.6° | 120.0° |
| C16 | C15 | H151 | 120.3° | 120.0° |
| C15 | C16 | H161 | 119.9° | 120.0° |
| O3 | C17 | N2 | 120.9° | 120.0° |
| C17 | N2 | C18 | 118.8° | 120.0° |
| C17 | N2 | HN21 | 116.8° | 120.0° |
| C18 | N2 | HN21 | 124.4° | 120.0° |
| N2 | C18 | C19 | 108.5° | 109.5° |
| N2 | C18 | C27 | 113.8° | 109.5° |
| N2 | C18 | H181 | 107.0° | 109.5° |
| C19 | C18 | C27 | 109.2° | 109.5° |
| C19 | C18 | H181 | 111.9° | 109.4° |
| C18 | C19 | C20 | 112.6° | 109.5° |
| C18 | C19 | H191 | 111.0° | 109.4° |
| C18 | C19 | H192 | 111.0° | 109.5° |
| C27 | C18 | H181 | 106.4° | 109.4° |
| C18 | C27 | C28 | 113.6° | 109.5° |
| C18 | C27 | H271 | 110.7° | 109.5° |
| C18 | C27 | H272 | 110.7° | 109.4° |
| C20 | C19 | H191 | 111.1° | 109.4° |
| C20 | C19 | H192 | 111.0° | 109.5° |
| C19 | C20 | C21 | 111.3° | 109.5° |
| C19 | C20 | H201 | 111.5° | 109.5° |
| C19 | C20 | H202 | 111.6° | 109.5° |
| H191 | C19 | H192 | 99.3° | 109.5° |
| C21 | C20 | H201 | 111.5° | 109.4° |
| C21 | C20 | H202 | 111.5° | 109.5° |
| C20 | C21 | C22 | 121.1° | 120.1° |
| C20 | C21 | C26 | 119.5° | 120.0° |
| H201 | C20 | H202 | 98.8° | 109.4° |
| C22 | C21 | C26 | 119.4° | 120.0° |
| C21 | C22 | C23 | 120.4° | 120.1° |
| C21 | C22 | H221 | 119.7° | 120.0° |
| C21 | C26 | C25 | 120.5° | 120.0° |
| C21 | C26 | H261 | 119.9° | 120.0° |
| C23 | C22 | H221 | 119.9° | 120.0° |
| C22 | C23 | C24 | 119.7° | 120.0° |
| C22 | C23 | H231 | 120.2° | 120.0° |
| C24 | C23 | H231 | 120.1° | 120.1° |
| C23 | C24 | C25 | 120.3° | 120.0° |
| C23 | C24 | H241 | 119.9° | 120.0° |
| C25 | C24 | H241 | 119.8° | 120.0° |
| C24 | C25 | C26 | 119.7° | 120.0° |
| C24 | C25 | H251 | 120.1° | 119.9° |
| C26 | C25 | H251 | 120.1° | 120.0° |
| C25 | C26 | H261 | 119.6° | 120.0° |
| S1 | C28 | C27 | 122.7° | 109.4° |
| S1 | C28 | H281 | 107.6° | 109.5° |
| S1 | C28 | H282 | 107.5° | 109.5° |
| C28 | S1 | O4 | 106.6° | 109.0° |
| C28 | S1 | O5 | 113.7° | 109.0° |
| C28 | S1 | C29 | 103.2° | 99.4° |
| C27 | C28 | H281 | 107.5° | 109.4° |
| C27 | C28 | H282 | 107.5° | 109.5° |
| C28 | C27 | H271 | 110.7° | 109.5° |
| C28 | C27 | H272 | 110.7° | 109.5° |
| H281 | C28 | H282 | 102.3° | 109.5° |
| O4 | S1 | O5 | 115.8° | 119.6° |
| O4 | S1 | C29 | 108.1° | 109.0° |
| O5 | S1 | C29 | 108.6° | 109.0° |
| S1 | C29 | C30 | 116.2° | 109.5° |
| S1 | C29 | H291 | 109.7° | 109.5° |
| S1 | C29 | H292 | 109.7° | 109.5° |
| C30 | C29 | H291 | 109.8° | 109.5° |
| C30 | C29 | H292 | 109.8° | 109.4° |
| C29 | C30 | C31 | 119.2° | 120.0° |
| C29 | C30 | C35 | 122.7° | 120.0° |
| H291 | C29 | H292 | 100.5° | 109.4° |
| C31 | C30 | C35 | 117.9° | 120.0° |
| C30 | C31 | C32 | 121.1° | 120.0° |
| C30 | C31 | H311 | 119.4° | 120.0° |
| C30 | C35 | C34 | 121.3° | 120.0° |
| C30 | C35 | H351 | 119.4° | 120.0° |
| C32 | C31 | H311 | 119.5° | 120.0° |
| C31 | C32 | C33 | 120.3° | 120.0° |
| C31 | C32 | H321 | 120.0° | 120.0° |
| C33 | C32 | H321 | 119.7° | 119.9° |
| C32 | C33 | C34 | 119.6° | 120.0° |
| C32 | C33 | H331 | 120.4° | 120.0° |
| C34 | C33 | H331 | 120.0° | 120.0° |
| C33 | C34 | C35 | 119.7° | 120.0° |
| C33 | C34 | H341 | 119.7° | 120.0° |
| C35 | C34 | H341 | 120.6° | 120.0° |
| C34 | C35 | H351 | 119.3° | 120.0° |
| H271 | C27 | H272 | 99.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C7 | 170.2° | 179.8° |
| C1 | C2 | C3 | H21 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.1° |
| C1 | C2 | C3 | H31 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.5° | 0.5° |
| C2 | C1 | C6 | H61 | 179.6° | 180.0° |
| C2 | C1 | C7 | O1 | 77.6° | 90.0° |
| C2 | C1 | C7 | H71 | 157.1° | 30.0° |
| C2 | C1 | C7 | H72 | 47.6° | 150.0° |
| C6 | C1 | C2 | C3 | 0.4° | 0.3° |
| C6 | C1 | C2 | H21 | 179.6° | 179.7° |
| C1 | C6 | C5 | C4 | 0.0° | 0.5° |
| C1 | C6 | C5 | H61 | 180.0° | 179.5° |
| C1 | C6 | C5 | H51 | 179.9° | 179.7° |
| C6 | C1 | C7 | O1 | 92.4° | 90.3° |
| C6 | C1 | C7 | H71 | 32.8° | 149.7° |
| C6 | C1 | C7 | H72 | 142.3° | 29.7° |
| C7 | C1 | C2 | C3 | 169.8° | 180.0° |
| C7 | C1 | C2 | H21 | 10.2° | 0.0° |
| C7 | C1 | C6 | C5 | 169.7° | 179.8° |
| C7 | C1 | C6 | H61 | 10.3° | 0.2° |
| C1 | C7 | O1 | H71 | 125.3° | 120.0° |
| C1 | C7 | O1 | H72 | 125.2° | 120.0° |
| C1 | C7 | H71 | H72 | 117.5° | 120.0° |
| C1 | C7 | O1 | C8 | 168.8° | 180.0° |
| C2 | C3 | C4 | H31 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.4° | 0.1° |
| C2 | C3 | C4 | H41 | 179.5° | 179.9° |
| H21 | C2 | C3 | C4 | 180.0° | 179.9° |
| H21 | C2 | C3 | H31 | 0.0° | 0.0° |
| C3 | C4 | C5 | H41 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.4° | 0.3° |
| C3 | C4 | C5 | H51 | 179.6° | 180.0° |
| H31 | C3 | C4 | C5 | 179.6° | 180.0° |
| H31 | C3 | C4 | H41 | 0.4° | 0.1° |
| C4 | C5 | C6 | H51 | 180.0° | 179.8° |
| C4 | C5 | C6 | H61 | 180.0° | 180.0° |
| H41 | C4 | C5 | C6 | 179.6° | 179.9° |
| H41 | C4 | C5 | H51 | 0.4° | 0.1° |
| H51 | C5 | C6 | H61 | 0.0° | 0.2° |
| O1 | C7 | H71 | H72 | 117.5° | 120.0° |
| C7 | O1 | C8 | O2 | 12.1° | 0.0° |
| C7 | O1 | C8 | N1 | 176.5° | 179.7° |
| H71 | C7 | O1 | C8 | 43.6° | 60.0° |
| H72 | C7 | O1 | C8 | 65.9° | 60.0° |
| O1 | C8 | O2 | N1 | 170.5° | 179.8° |
| O1 | C8 | N1 | C9 | 167.8° | 179.7° |
| O1 | C8 | N1 | HN11 | 12.2° | 0.2° |
| O2 | C8 | N1 | C9 | 3.6° | 0.1° |
| O2 | C8 | N1 | HN11 | 176.4° | 180.0° |
| C8 | N1 | C9 | HN11 | 180.0° | 180.0° |
| C8 | N1 | C9 | C10 | 168.4° | 90.0° |
| C8 | N1 | C9 | C17 | 70.6° | 150.1° |
| C8 | N1 | C9 | H91 | 49.3° | 30.0° |
| N1 | C9 | C10 | C17 | 121.4° | 120.0° |
| N1 | C9 | C10 | H91 | 118.6° | 120.0° |
| N1 | C9 | C17 | H91 | 118.7° | 120.1° |
| N1 | C9 | C10 | C11 | 47.5° | 60.0° |
| N1 | C9 | C10 | H101 | 77.8° | 60.0° |
| N1 | C9 | C10 | H102 | 172.7° | 180.0° |
| N1 | C9 | C17 | O3 | 30.5° | 0.0° |
| N1 | C9 | C17 | N2 | 153.4° | 180.0° |
| HN11 | N1 | C9 | C10 | 11.6° | 90.0° |
| HN11 | N1 | C9 | C17 | 109.4° | 30.0° |
| HN11 | N1 | C9 | H91 | 130.7° | 150.1° |
| C10 | C9 | C17 | H91 | 119.2° | 119.9° |
| C9 | C10 | C11 | H101 | 125.2° | 120.1° |
| C9 | C10 | C11 | H102 | 125.3° | 120.0° |
| C9 | C10 | H101 | H102 | 117.5° | 120.0° |
| C9 | C10 | C11 | C12 | 123.3° | 90.0° |
| C9 | C10 | C11 | C16 | 52.7° | 90.2° |
| C10 | C9 | C17 | O3 | 91.6° | 120.0° |
| C10 | C9 | C17 | N2 | 84.5° | 60.0° |
| C17 | C9 | C10 | C11 | 168.8° | 180.0° |
| C17 | C9 | C10 | H101 | 43.6° | 60.0° |
| C17 | C9 | C10 | H102 | 65.9° | 60.0° |
| C9 | C17 | O3 | N2 | 175.9° | 179.9° |
| C9 | C17 | N2 | C18 | 176.2° | 180.0° |
| C9 | C17 | N2 | HN21 | 3.8° | 0.1° |
| H91 | C9 | C10 | C11 | 71.2° | 60.0° |
| H91 | C9 | C10 | H101 | 163.6° | 180.0° |
| H91 | C9 | C10 | H102 | 54.1° | 60.0° |
| H91 | C9 | C17 | O3 | 149.2° | 120.0° |
| H91 | C9 | C17 | N2 | 34.7° | 59.9° |
| C11 | C10 | H101 | H102 | 117.4° | 119.9° |
| C10 | C11 | C12 | C16 | 176.2° | 179.8° |
| C10 | C11 | C12 | C13 | 176.4° | 180.0° |
| C10 | C11 | C12 | H121 | 3.6° | 0.0° |
| C10 | C11 | C16 | C15 | 176.0° | 179.8° |
| C10 | C11 | C16 | H161 | 3.9° | 0.2° |
| H101 | C10 | C11 | C12 | 2.0° | 30.1° |
| H101 | C10 | C11 | C16 | 178.0° | 149.7° |
| H102 | C10 | C11 | C12 | 111.4° | 150.0° |
| H102 | C10 | C11 | C16 | 72.6° | 29.8° |
| C11 | C12 | C13 | H121 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C11 | C12 | C13 | H131 | 179.9° | 179.9° |
| C12 | C11 | C16 | C15 | 0.1° | 0.5° |
| C12 | C11 | C16 | H161 | 179.9° | 180.0° |
| C16 | C11 | C12 | C13 | 0.3° | 0.2° |
| C16 | C11 | C12 | H121 | 179.7° | 179.7° |
| C11 | C16 | C15 | C14 | 0.3° | 0.4° |
| C11 | C16 | C15 | H161 | 180.0° | 179.6° |
| C11 | C16 | C15 | H151 | 179.7° | 179.8° |
| C12 | C13 | C14 | H131 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.3° | 0.1° |
| C12 | C13 | C14 | H141 | 179.7° | 179.9° |
| H121 | C12 | C13 | C14 | 179.9° | 180.0° |
| H121 | C12 | C13 | H131 | 0.1° | 0.1° |
| C13 | C14 | C15 | H141 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.4° | 0.2° |
| C13 | C14 | C15 | H151 | 179.6° | 180.0° |
| H131 | C13 | C14 | C15 | 179.7° | 180.0° |
| H131 | C13 | C14 | H141 | 0.3° | 0.0° |
| C14 | C15 | C16 | H151 | 180.0° | 179.8° |
| C14 | C15 | C16 | H161 | 179.8° | 180.0° |
| H141 | C14 | C15 | C16 | 179.6° | 179.9° |
| H141 | C14 | C15 | H151 | 0.4° | 0.1° |
| H151 | C15 | C16 | H161 | 0.2° | 0.2° |
| O3 | C17 | N2 | C18 | 0.1° | 0.1° |
| O3 | C17 | N2 | HN21 | 179.9° | 180.0° |
| C17 | N2 | C18 | HN21 | 180.0° | 180.0° |
| C17 | N2 | C18 | C19 | 114.0° | 90.0° |
| C17 | N2 | C18 | C27 | 124.2° | 149.9° |
| C17 | N2 | C18 | H181 | 6.9° | 30.0° |
| N2 | C18 | C19 | C27 | 124.6° | 120.1° |
| N2 | C18 | C19 | H181 | 117.9° | 120.0° |
| N2 | C18 | C27 | H181 | 117.6° | 120.0° |
| N2 | C18 | C19 | C20 | 65.1° | 60.0° |
| N2 | C18 | C19 | H191 | 60.2° | 60.0° |
| N2 | C18 | C19 | H192 | 169.7° | 180.0° |
| N2 | C18 | C27 | C28 | 74.1° | 60.0° |
| N2 | C18 | C27 | H271 | 51.2° | 180.0° |
| N2 | C18 | C27 | H272 | 160.7° | 60.0° |
| HN21 | N2 | C18 | C19 | 66.0° | 90.0° |
| HN21 | N2 | C18 | C27 | 55.8° | 30.0° |
| HN21 | N2 | C18 | H181 | 173.1° | 150.0° |
| C19 | C18 | C27 | H181 | 120.9° | 119.9° |
| C18 | C19 | C20 | H191 | 125.2° | 119.9° |
| C18 | C19 | C20 | H192 | 125.2° | 120.1° |
| C18 | C19 | H191 | H192 | 116.9° | 120.0° |
| C18 | C19 | C20 | C21 | 179.3° | 180.0° |
| C18 | C19 | C20 | H201 | 54.0° | 60.0° |
| C18 | C19 | C20 | H202 | 55.4° | 59.9° |
| C19 | C18 | C27 | C28 | 47.4° | 180.0° |
| C19 | C18 | C27 | H271 | 172.6° | 59.9° |
| C19 | C18 | C27 | H272 | 77.9° | 60.1° |
| C27 | C18 | C19 | C20 | 170.3° | 180.0° |
| C27 | C18 | C19 | H191 | 64.4° | 60.1° |
| C27 | C18 | C19 | H192 | 45.1° | 59.9° |
| C18 | C27 | C28 | S1 | 130.6° | 180.0° |
| C18 | C27 | C28 | H271 | 125.3° | 120.0° |
| C18 | C27 | C28 | H272 | 125.3° | 119.9° |
| C18 | C27 | C28 | H281 | 104.1° | 60.0° |
| C18 | C27 | C28 | H282 | 5.3° | 60.1° |
| C18 | C27 | H271 | H272 | 116.5° | 120.0° |
| H181 | C18 | C19 | C20 | 52.8° | 60.1° |
| H181 | C18 | C19 | H191 | 178.1° | NaN° |
| H181 | C18 | C19 | H192 | 72.4° | 60.0° |
| H181 | C18 | C27 | C28 | 168.3° | 60.0° |
| H181 | C18 | C27 | H271 | 66.4° | 60.0° |
| H181 | C18 | C27 | H272 | 43.0° | 180.0° |
| C20 | C19 | H191 | H192 | 117.0° | 120.0° |
| C19 | C20 | C21 | H201 | 125.3° | 120.0° |
| C19 | C20 | C21 | H202 | 125.3° | 120.1° |
| C19 | C20 | H201 | H202 | 117.4° | 120.0° |
| C19 | C20 | C21 | C22 | 72.8° | 89.9° |
| C19 | C20 | C21 | C26 | 104.8° | 90.3° |
| H191 | C19 | C20 | C21 | 55.5° | 60.0° |
| H191 | C19 | C20 | H201 | 179.2° | 180.0° |
| H191 | C19 | C20 | H202 | 69.8° | 60.0° |
| H192 | C19 | C20 | C21 | 54.1° | 59.9° |
| H192 | C19 | C20 | H201 | 71.2° | 60.0° |
| H192 | C19 | C20 | H202 | 179.4° | 180.0° |
| C21 | C20 | H201 | H202 | 117.4° | 119.9° |
| C20 | C21 | C22 | C26 | 177.7° | 179.8° |
| C20 | C21 | C22 | C23 | 176.7° | 180.0° |
| C20 | C21 | C22 | H221 | 3.3° | 0.2° |
| C20 | C21 | C26 | C25 | 177.0° | 179.7° |
| C20 | C21 | C26 | H261 | 3.1° | 0.2° |
| H201 | C20 | C21 | C22 | 52.4° | 30.1° |
| H201 | C20 | C21 | C26 | 129.9° | 149.7° |
| H202 | C20 | C21 | C22 | 161.9° | 150.0° |
| H202 | C20 | C21 | C26 | 20.5° | 29.8° |
| C21 | C22 | C23 | H221 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.3° | 0.0° |
| C21 | C22 | C23 | H231 | 179.8° | 180.0° |
| C22 | C21 | C26 | C25 | 0.7° | 0.5° |
| C22 | C21 | C26 | H261 | 179.3° | 180.0° |
| C26 | C21 | C22 | C23 | 0.9° | 0.2° |
| C26 | C21 | C22 | H221 | 179.0° | 179.7° |
| C21 | C26 | C25 | C24 | 0.2° | 0.5° |
| C21 | C26 | C25 | H261 | 179.9° | 179.5° |
| C21 | C26 | C25 | H251 | 179.7° | 179.7° |
| C22 | C23 | C24 | H231 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.7° | 0.0° |
| C22 | C23 | C24 | H241 | 179.3° | 180.0° |
| H221 | C22 | C23 | C24 | 179.7° | 179.9° |
| H221 | C22 | C23 | H231 | 0.2° | 0.1° |
| C23 | C24 | C25 | H241 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.9° | 0.3° |
| C23 | C24 | C25 | H251 | 179.0° | 179.9° |
| H231 | C23 | C24 | C25 | 179.3° | 180.0° |
| H231 | C23 | C24 | H241 | 0.7° | 0.1° |
| C24 | C25 | C26 | H251 | 180.0° | 179.8° |
| C24 | C25 | C26 | H261 | 179.8° | 180.0° |
| H241 | C24 | C25 | C26 | 179.1° | 179.8° |
| H241 | C24 | C25 | H251 | 1.0° | 0.0° |
| H251 | C25 | C26 | H261 | 0.2° | 0.2° |
| S1 | C28 | C27 | H281 | 125.3° | 120.0° |
| S1 | C28 | C27 | H282 | 125.3° | 120.0° |
| S1 | C28 | H281 | H282 | 113.1° | 120.0° |
| C28 | S1 | O4 | O5 | 127.6° | 126.2° |
| C28 | S1 | O4 | C29 | 110.3° | 107.5° |
| C28 | S1 | O5 | C29 | 114.2° | 107.5° |
| C28 | S1 | C29 | C30 | 61.5° | 180.0° |
| C28 | S1 | C29 | H291 | 63.8° | 60.0° |
| C28 | S1 | C29 | H292 | 173.3° | 60.0° |
| S1 | C28 | C27 | H271 | 104.2° | 60.0° |
| S1 | C28 | C27 | H272 | 5.3° | 60.0° |
| C27 | C28 | H281 | H282 | 113.0° | 120.0° |
| C27 | C28 | S1 | O4 | 55.6° | 66.0° |
| C27 | C28 | S1 | O5 | 73.3° | 66.1° |
| C27 | C28 | S1 | C29 | 169.3° | 180.0° |
| C28 | C27 | H271 | H272 | 116.6° | 120.0° |
| H281 | C28 | S1 | O4 | 179.2° | 174.0° |
| H281 | C28 | S1 | O5 | 51.9° | 53.9° |
| H281 | C28 | S1 | C29 | 65.5° | 60.1° |
| H281 | C28 | C27 | H271 | 21.1° | 180.0° |
| H281 | C28 | C27 | H272 | 130.6° | 60.0° |
| H282 | C28 | S1 | O4 | 69.7° | 53.9° |
| H282 | C28 | S1 | O5 | 161.4° | 174.0° |
| H282 | C28 | S1 | C29 | 44.0° | 60.0° |
| H282 | C28 | C27 | H271 | 130.6° | 60.0° |
| H282 | C28 | C27 | H272 | 120.0° | 180.0° |
| O4 | S1 | O5 | C29 | 121.7° | 126.3° |
| O4 | S1 | C29 | C30 | 51.2° | 66.0° |
| O4 | S1 | C29 | H291 | 176.5° | 173.9° |
| O4 | S1 | C29 | H292 | 74.0° | 54.0° |
| O5 | S1 | C29 | C30 | 177.6° | 66.1° |
| O5 | S1 | C29 | H291 | 57.2° | 53.9° |
| O5 | S1 | C29 | H292 | 52.3° | 173.9° |
| S1 | C29 | C30 | H291 | 125.2° | 120.0° |
| S1 | C29 | C30 | H292 | 125.2° | 120.0° |
| S1 | C29 | H291 | H292 | 115.5° | 120.0° |
| S1 | C29 | C30 | C31 | 66.4° | 90.0° |
| S1 | C29 | C30 | C35 | 108.4° | 90.3° |
| C30 | C29 | H291 | H292 | 115.6° | 119.9° |
| C29 | C30 | C31 | C35 | 175.1° | 179.7° |
| C29 | C30 | C31 | C32 | 172.6° | 179.9° |
| C29 | C30 | C31 | H311 | 7.4° | 0.0° |
| C29 | C30 | C35 | C34 | 172.4° | 179.7° |
| C29 | C30 | C35 | H351 | 7.5° | 0.2° |
| H291 | C29 | C30 | C31 | 168.4° | 30.0° |
| H291 | C29 | C30 | C35 | 16.8° | 149.7° |
| H292 | C29 | C30 | C31 | 58.8° | 150.0° |
| H292 | C29 | C30 | C35 | 126.4° | 29.8° |
| C30 | C31 | C32 | H311 | 179.9° | 179.9° |
| C30 | C31 | C32 | C33 | 0.6° | 0.0° |
| C30 | C31 | C32 | H321 | 179.4° | 179.9° |
| C31 | C30 | C35 | C34 | 2.5° | 0.5° |
| C31 | C30 | C35 | H351 | 177.6° | 180.0° |
| C35 | C30 | C31 | C32 | 2.5° | 0.3° |
| C35 | C30 | C31 | H311 | 177.5° | 179.8° |
| C30 | C35 | C34 | C33 | 0.4° | 0.5° |
| C30 | C35 | C34 | H351 | 180.0° | 179.5° |
| C30 | C35 | C34 | H341 | 179.5° | 179.7° |
| C31 | C32 | C33 | H321 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 1.6° | 0.0° |
| C31 | C32 | C33 | H331 | 178.4° | 180.0° |
| H311 | C31 | C32 | C33 | 179.5° | 180.0° |
| H311 | C31 | C32 | H321 | 0.5° | 0.0° |
| C32 | C33 | C34 | H331 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 1.6° | 0.2° |
| C32 | C33 | C34 | H341 | 178.4° | 180.0° |
| H321 | C32 | C33 | C34 | 178.5° | 180.0° |
| H321 | C32 | C33 | H331 | 1.5° | 0.0° |
| C33 | C34 | C35 | H341 | 180.0° | 179.8° |
| C33 | C34 | C35 | H351 | 179.6° | 180.0° |
| H331 | C33 | C34 | C35 | 178.4° | 179.8° |
| H331 | C33 | C34 | H341 | 1.6° | 0.0° |
| H341 | C34 | C35 | H351 | 0.5° | 0.2° |
