VS3
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 | 1.49Å | |
| C2 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | H21 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.41Å | 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 | 1.24Å | |
| C8 | N1 | sing | 1.35Å | 1.37Å | |
| N1 | C9 | sing | 1.46Å | 1.47Å | |
| N1 | HN11 | sing | 0.97Å | 1.02Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C9 | C17 | sing | 1.51Å | 1.47Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| 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 | 1.40Å | 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 | 1.34Å | |
| N2 | C18 | sing | 1.46Å | 1.46Å | |
| N2 | HN21 | sing | 0.97Å | 1.02Å | |
| C18 | C19 | sing | 1.53Å | 1.59Å | |
| C18 | C27 | sing | 1.53Å | 1.53Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| 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 | 1.41Å | 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 | 1.62Å | |
| C28 | C27 | sing | 1.53Å | 1.31Å | |
| C28 | H281 | sing | 1.09Å | 1.12Å | |
| C28 | H282 | sing | 1.09Å | 1.12Å | |
| S1 | O4 | doub | 1.42Å | 1.47Å | |
| S1 | O5 | doub | 1.42Å | 1.46Å | |
| S1 | O29 | sing | 1.52Å | 1.54Å | |
| O29 | C30 | sing | 1.36Å | 1.38Å | |
| C30 | C31 | doub | 1.39Å | 1.40Å | Aromatic |
| C30 | C35 | sing | 1.39Å | 1.43Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.37Å | Aromatic |
| C31 | H311 | sing | 1.08Å | 1.10Å | |
| C32 | C33 | doub | 1.38Å | 1.41Å | Aromatic |
| C32 | H321 | sing | 1.08Å | 1.10Å | |
| C33 | N3 | sing | 1.48Å | 1.47Å | |
| C33 | C34 | sing | 1.38Å | 1.45Å | Aromatic |
| N3 | O8 | doub | 1.22Å | 1.25Å | |
| N3 | O9 | sing | 1.22Å | 1.36Å | |
| C34 | C35 | doub | 1.38Å | 1.39Å | 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 | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.0° | 120.0° |
| C2 | C1 | C7 | 119.7° | 120.0° |
| C1 | C2 | C3 | 120.1° | 120.0° |
| C1 | C2 | H21 | 119.9° | 120.0° |
| C6 | C1 | C7 | 120.2° | 120.0° |
| C1 | C6 | C5 | 120.0° | 120.0° |
| C1 | C6 | H61 | 120.0° | 120.0° |
| C1 | C7 | O1 | 108.8° | 109.5° |
| C1 | C7 | H71 | 112.4° | 109.5° |
| C1 | C7 | H72 | 112.4° | 109.4° |
| C3 | C2 | H21 | 120.0° | 120.0° |
| C2 | C3 | C4 | 119.7° | 120.0° |
| C2 | C3 | H31 | 120.2° | 120.0° |
| C4 | C3 | H31 | 120.0° | 120.0° |
| C3 | C4 | C5 | 120.3° | 120.0° |
| C3 | C4 | H41 | 119.9° | 120.1° |
| C5 | C4 | H41 | 119.8° | 120.0° |
| C4 | C5 | C6 | 119.9° | 120.1° |
| C4 | C5 | H51 | 119.9° | 120.0° |
| C6 | C5 | H51 | 120.2° | 119.9° |
| C5 | C6 | H61 | 120.1° | 120.0° |
| O1 | C7 | H71 | 112.4° | 109.5° |
| O1 | C7 | H72 | 112.5° | 109.5° |
| C7 | O1 | C8 | 121.4° | 120.0° |
| H71 | C7 | H72 | 98.0° | 109.5° |
| O1 | C8 | O2 | 123.8° | 120.0° |
| O1 | C8 | N1 | 109.0° | 120.0° |
| O2 | C8 | N1 | 127.2° | 120.0° |
| C8 | N1 | C9 | 123.6° | 120.0° |
| C8 | N1 | HN11 | 114.5° | 119.9° |
| C9 | N1 | HN11 | 121.9° | 120.1° |
| N1 | C9 | C10 | 112.3° | 109.5° |
| N1 | C9 | C17 | 108.6° | 109.5° |
| N1 | C9 | H91 | 107.7° | 109.5° |
| C10 | C9 | C17 | 108.2° | 109.4° |
| C10 | C9 | H91 | 108.1° | 109.5° |
| C9 | C10 | C11 | 112.7° | 109.5° |
| C9 | C10 | H101 | 111.1° | 109.5° |
| C9 | C10 | H102 | 111.0° | 109.5° |
| C17 | C9 | H91 | 112.0° | 109.5° |
| C9 | C17 | O3 | 123.6° | 120.0° |
| C9 | C17 | N2 | 113.9° | 120.0° |
| C11 | C10 | H101 | 111.0° | 109.5° |
| C11 | C10 | H102 | 111.0° | 109.5° |
| C10 | C11 | C12 | 117.6° | 120.0° |
| C10 | C11 | C16 | 122.6° | 120.0° |
| H101 | C10 | H102 | 99.3° | 109.4° |
| C12 | C11 | C16 | 119.8° | 120.0° |
| C11 | C12 | C13 | 119.8° | 120.0° |
| C11 | C12 | H121 | 120.1° | 120.0° |
| C11 | C16 | C15 | 120.3° | 120.0° |
| C11 | C16 | H161 | 120.1° | 120.0° |
| C13 | C12 | H121 | 120.0° | 120.0° |
| C12 | C13 | C14 | 120.2° | 120.0° |
| C12 | C13 | H131 | 119.6° | 120.0° |
| C14 | C13 | H131 | 120.1° | 120.0° |
| C13 | C14 | C15 | 120.0° | 120.0° |
| C13 | C14 | H141 | 120.2° | 120.0° |
| C15 | C14 | H141 | 119.7° | 120.0° |
| C14 | C15 | C16 | 119.8° | 120.0° |
| C14 | C15 | H151 | 119.9° | 120.0° |
| C16 | C15 | H151 | 120.3° | 120.0° |
| C15 | C16 | H161 | 119.6° | 120.0° |
| O3 | C17 | N2 | 122.3° | 119.9° |
| C17 | N2 | C18 | 116.1° | 120.0° |
| C17 | N2 | HN21 | 118.2° | 120.0° |
| C18 | N2 | HN21 | 125.7° | 120.0° |
| N2 | C18 | C19 | 109.4° | 109.4° |
| N2 | C18 | C27 | 108.8° | 109.5° |
| N2 | C18 | H181 | 111.7° | 109.5° |
| C19 | C18 | C27 | 114.3° | 109.5° |
| C19 | C18 | H181 | 106.0° | 109.5° |
| C18 | C19 | C20 | 114.3° | 109.5° |
| C18 | C19 | H191 | 110.4° | 109.5° |
| C18 | C19 | H192 | 110.4° | 109.5° |
| C27 | C18 | H181 | 106.7° | 109.5° |
| C18 | C27 | C28 | 106.9° | 109.5° |
| C18 | C27 | H271 | 113.2° | 109.5° |
| C18 | C27 | H272 | 113.2° | 109.5° |
| C20 | C19 | H191 | 110.4° | 109.5° |
| C20 | C19 | H192 | 110.4° | 109.4° |
| C19 | C20 | C21 | 108.6° | 109.5° |
| C19 | C20 | H201 | 112.6° | 109.5° |
| C19 | C20 | H202 | 112.5° | 109.4° |
| H191 | C19 | H192 | 99.9° | 109.5° |
| C21 | C20 | H201 | 112.6° | 109.5° |
| C21 | C20 | H202 | 112.6° | 109.5° |
| C20 | C21 | C22 | 123.4° | 120.0° |
| C20 | C21 | C26 | 116.9° | 120.0° |
| H201 | C20 | H202 | 97.8° | 109.5° |
| C22 | C21 | C26 | 119.7° | 120.0° |
| C21 | C22 | C23 | 120.5° | 120.0° |
| C21 | C22 | H221 | 119.6° | 120.0° |
| C21 | C26 | C25 | 120.3° | 120.0° |
| C21 | C26 | H261 | 119.9° | 120.0° |
| C23 | C22 | H221 | 119.9° | 120.0° |
| C22 | C23 | C24 | 119.4° | 120.0° |
| C22 | C23 | H231 | 120.5° | 120.0° |
| C24 | C23 | H231 | 120.1° | 120.0° |
| C23 | C24 | C25 | 120.3° | 120.0° |
| C23 | C24 | H241 | 119.7° | 120.0° |
| C25 | C24 | H241 | 120.0° | 120.0° |
| C24 | C25 | C26 | 119.9° | 120.0° |
| C24 | C25 | H251 | 120.3° | 120.0° |
| C26 | C25 | H251 | 119.8° | 120.0° |
| C25 | C26 | H261 | 119.8° | 120.0° |
| S1 | C28 | C27 | 143.5° | 109.5° |
| S1 | C28 | H281 | 100.8° | 109.5° |
| S1 | C28 | H282 | 100.8° | 109.5° |
| C28 | S1 | O4 | 100.7° | 111.6° |
| C28 | S1 | O5 | 107.4° | 111.6° |
| C28 | S1 | O29 | 111.6° | 103.1° |
| C27 | C28 | H281 | 100.7° | 109.5° |
| C27 | C28 | H282 | 100.7° | 109.5° |
| C28 | C27 | H271 | 113.2° | 109.5° |
| C28 | C27 | H272 | 113.2° | 109.5° |
| H281 | C28 | H282 | 106.7° | 109.5° |
| O4 | S1 | O5 | 116.2° | 122.1° |
| O4 | S1 | O29 | 111.0° | 102.8° |
| O5 | S1 | O29 | 109.7° | 102.8° |
| S1 | O29 | C30 | 124.9° | 106.8° |
| O29 | C30 | C31 | 105.4° | 120.1° |
| O29 | C30 | C35 | 129.3° | 120.0° |
| C31 | C30 | C35 | 122.3° | 119.9° |
| C30 | C31 | C32 | 119.9° | 120.0° |
| C30 | C31 | H311 | 121.0° | 120.0° |
| C30 | C35 | C34 | 118.5° | 119.9° |
| C30 | C35 | H351 | 121.9° | 120.0° |
| C32 | C31 | H311 | 119.1° | 120.0° |
| C31 | C32 | C33 | 119.1° | 120.0° |
| C31 | C32 | H321 | 119.2° | 120.0° |
| C33 | C32 | H321 | 121.7° | 120.0° |
| C32 | C33 | N3 | 116.9° | 119.9° |
| C32 | C33 | C34 | 122.0° | 120.1° |
| N3 | C33 | C34 | 120.8° | 119.9° |
| C33 | N3 | O8 | 119.2° | 120.0° |
| C33 | N3 | O9 | 121.3° | 120.0° |
| C33 | C34 | C35 | 118.1° | 120.0° |
| C33 | C34 | H341 | 122.7° | 120.0° |
| O8 | N3 | O9 | 119.5° | 120.0° |
| C35 | C34 | H341 | 119.2° | 120.0° |
| C34 | C35 | H351 | 119.6° | 120.0° |
| H271 | C27 | H272 | 97.2° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C7 | 175.5° | 179.8° |
| C1 | C2 | C3 | H21 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C1 | C2 | C3 | H31 | 180.0° | 179.9° |
| C2 | C1 | C6 | C5 | 0.8° | 0.5° |
| C2 | C1 | C6 | H61 | 179.2° | 179.9° |
| C2 | C1 | C7 | O1 | 84.6° | 90.0° |
| C2 | C1 | C7 | H71 | 150.1° | 30.1° |
| C2 | C1 | C7 | H72 | 40.6° | 150.0° |
| C6 | C1 | C2 | C3 | 0.7° | 0.3° |
| C6 | C1 | C2 | H21 | 179.3° | 179.8° |
| C1 | C6 | C5 | C4 | 0.2° | 0.4° |
| C1 | C6 | C5 | H61 | 180.0° | 179.6° |
| C1 | C6 | C5 | H51 | 179.8° | 179.7° |
| C6 | C1 | C7 | O1 | 90.9° | 90.2° |
| C6 | C1 | C7 | H71 | 34.4° | 149.7° |
| C6 | C1 | C7 | H72 | 143.9° | 29.8° |
| C7 | C1 | C2 | C3 | 176.2° | 180.0° |
| C7 | C1 | C2 | H21 | 3.8° | 0.0° |
| C7 | C1 | C6 | C5 | 176.3° | 179.8° |
| C7 | C1 | C6 | H61 | 3.7° | 0.2° |
| C1 | C7 | O1 | H71 | 125.2° | 120.1° |
| C1 | C7 | O1 | H72 | 125.2° | 119.9° |
| C1 | C7 | H71 | H72 | 118.3° | 119.9° |
| C1 | C7 | O1 | C8 | 163.5° | 180.0° |
| C2 | C3 | C4 | H31 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.5° | 0.0° |
| C2 | C3 | C4 | H41 | 179.5° | 180.0° |
| H21 | C2 | C3 | C4 | 179.9° | 179.9° |
| H21 | C2 | C3 | H31 | 0.0° | 0.0° |
| C3 | C4 | C5 | H41 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.5° | 0.2° |
| C3 | C4 | C5 | H51 | 179.5° | 180.0° |
| H31 | C3 | C4 | C5 | 179.4° | 180.0° |
| H31 | C3 | C4 | H41 | 0.5° | 0.0° |
| C4 | C5 | C6 | H51 | 180.0° | 179.8° |
| C4 | C5 | C6 | H61 | 179.8° | 180.0° |
| H41 | C4 | C5 | C6 | 179.6° | 179.8° |
| H41 | C4 | C5 | H51 | 0.5° | 0.0° |
| H51 | C5 | C6 | H61 | 0.2° | 0.1° |
| O1 | C7 | H71 | H72 | 118.4° | 120.0° |
| C7 | O1 | C8 | O2 | 5.3° | 0.0° |
| C7 | O1 | C8 | N1 | 177.2° | 180.0° |
| H71 | C7 | O1 | C8 | 38.2° | 60.0° |
| H72 | C7 | O1 | C8 | 71.3° | 60.0° |
| O1 | C8 | O2 | N1 | 177.1° | 180.0° |
| O1 | C8 | N1 | C9 | 176.6° | 180.0° |
| O1 | C8 | N1 | HN11 | 3.4° | 0.0° |
| O2 | C8 | N1 | C9 | 0.8° | 0.0° |
| O2 | C8 | N1 | HN11 | 179.2° | 180.0° |
| C8 | N1 | C9 | HN11 | 180.0° | 180.0° |
| C8 | N1 | C9 | C10 | 165.5° | 85.0° |
| C8 | N1 | C9 | C17 | 74.8° | 155.0° |
| C8 | N1 | C9 | H91 | 46.6° | 35.0° |
| N1 | C9 | C10 | C17 | 119.9° | 120.0° |
| N1 | C9 | C10 | H91 | 118.7° | 120.0° |
| N1 | C9 | C17 | H91 | 118.8° | 120.1° |
| N1 | C9 | C10 | C11 | 53.7° | 65.0° |
| N1 | C9 | C10 | H101 | 71.5° | 55.0° |
| N1 | C9 | C10 | H102 | 179.0° | 175.0° |
| N1 | C9 | C17 | O3 | 33.8° | 0.0° |
| N1 | C9 | C17 | N2 | 150.6° | 180.0° |
| HN11 | N1 | C9 | C10 | 14.5° | 95.0° |
| HN11 | N1 | C9 | C17 | 105.2° | 25.0° |
| HN11 | N1 | C9 | H91 | 133.4° | 145.0° |
| C10 | C9 | C17 | H91 | 119.0° | 120.0° |
| C9 | C10 | C11 | H101 | 125.3° | 120.1° |
| C9 | C10 | C11 | H102 | 125.3° | 120.0° |
| C9 | C10 | H101 | H102 | 116.9° | 120.0° |
| C9 | C10 | C11 | C12 | 128.7° | 90.0° |
| C9 | C10 | C11 | C16 | 49.8° | 90.2° |
| C10 | C9 | C17 | O3 | 88.4° | 120.0° |
| C10 | C9 | C17 | N2 | 87.2° | 60.0° |
| C17 | C9 | C10 | C11 | 173.6° | 175.0° |
| C17 | C9 | C10 | H101 | 48.4° | 65.0° |
| C17 | C9 | C10 | H102 | 61.1° | 55.0° |
| C9 | C17 | O3 | N2 | 175.2° | 180.0° |
| C9 | C17 | N2 | C18 | 173.6° | 180.0° |
| C9 | C17 | N2 | HN21 | 6.4° | 0.1° |
| H91 | C9 | C10 | C11 | 64.9° | 55.0° |
| H91 | C9 | C10 | H101 | 169.9° | 175.1° |
| H91 | C9 | C10 | H102 | 60.3° | 65.0° |
| H91 | C9 | C17 | O3 | 152.6° | 120.1° |
| H91 | C9 | C17 | N2 | 31.8° | 59.9° |
| C11 | C10 | H101 | H102 | 116.9° | 120.0° |
| C10 | C11 | C12 | C16 | 178.5° | 179.7° |
| C10 | C11 | C12 | C13 | 177.8° | 180.0° |
| C10 | C11 | C12 | H121 | 2.2° | 0.0° |
| C10 | C11 | C16 | C15 | 177.8° | 179.8° |
| C10 | C11 | C16 | H161 | 2.2° | 0.2° |
| H101 | C10 | C11 | C12 | 3.4° | 30.0° |
| H101 | C10 | C11 | C16 | 175.1° | 149.7° |
| H102 | C10 | C11 | C12 | 106.0° | 150.0° |
| H102 | C10 | C11 | C16 | 75.5° | 29.8° |
| C11 | C12 | C13 | H121 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.3° | 0.1° |
| C11 | C12 | C13 | H131 | 179.7° | 179.9° |
| C12 | C11 | C16 | C15 | 0.7° | 0.5° |
| C12 | C11 | C16 | H161 | 179.3° | 179.9° |
| C16 | C11 | C12 | C13 | 0.7° | 0.3° |
| C16 | C11 | C12 | H121 | 179.3° | 179.8° |
| C11 | C16 | C15 | C14 | 0.2° | 0.4° |
| C11 | C16 | C15 | H161 | 180.0° | 179.6° |
| C11 | C16 | C15 | H151 | 179.8° | 179.7° |
| C12 | C13 | C14 | H131 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.0° |
| C12 | C13 | C14 | H141 | 179.8° | 180.0° |
| H121 | C12 | C13 | C14 | 179.7° | 180.0° |
| H121 | C12 | C13 | H131 | 0.3° | 0.0° |
| C13 | C14 | C15 | H141 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.3° | 0.2° |
| C13 | C14 | C15 | H151 | 179.8° | 180.0° |
| H131 | C13 | C14 | C15 | 179.8° | 180.0° |
| H131 | C13 | C14 | H141 | 0.2° | 0.0° |
| C14 | C15 | C16 | H151 | 180.0° | 179.8° |
| C14 | C15 | C16 | H161 | 179.8° | 180.0° |
| H141 | C14 | C15 | C16 | 179.7° | 179.9° |
| H141 | C14 | C15 | H151 | 0.2° | 0.0° |
| H151 | C15 | C16 | H161 | 0.2° | 0.1° |
| O3 | C17 | N2 | C18 | 2.1° | 0.0° |
| O3 | C17 | N2 | HN21 | 177.9° | 179.9° |
| C17 | N2 | C18 | HN21 | 180.0° | 179.9° |
| C17 | N2 | C18 | C19 | 109.4° | 85.1° |
| C17 | N2 | C18 | C27 | 125.1° | 155.0° |
| C17 | N2 | C18 | H181 | 7.6° | 34.9° |
| N2 | C18 | C19 | C27 | 122.2° | 120.0° |
| N2 | C18 | C19 | H181 | 120.6° | 120.0° |
| N2 | C18 | C27 | H181 | 120.7° | 120.1° |
| N2 | C18 | C19 | C20 | 71.7° | 65.1° |
| N2 | C18 | C19 | H191 | 53.6° | 55.0° |
| N2 | C18 | C19 | H192 | 163.1° | 175.0° |
| N2 | C18 | C27 | C28 | 117.0° | 65.0° |
| N2 | C18 | C27 | H271 | 8.3° | 55.0° |
| N2 | C18 | C27 | H272 | 117.7° | 174.9° |
| HN21 | N2 | C18 | C19 | 70.6° | 95.0° |
| HN21 | N2 | C18 | C27 | 54.8° | 24.9° |
| HN21 | N2 | C18 | H181 | 172.3° | 145.0° |
| C19 | C18 | C27 | H181 | 116.8° | 120.0° |
| C18 | C19 | C20 | H191 | 125.2° | 120.1° |
| C18 | C19 | C20 | H192 | 125.2° | 120.0° |
| C18 | C19 | H191 | H192 | 116.3° | 120.0° |
| C18 | C19 | C20 | C21 | 173.3° | 180.0° |
| C18 | C19 | C20 | H201 | 61.3° | 59.9° |
| C18 | C19 | C20 | H202 | 48.1° | 60.0° |
| C19 | C18 | C27 | C28 | 5.6° | 175.1° |
| C19 | C18 | C27 | H271 | 130.9° | 65.0° |
| C19 | C18 | C27 | H272 | 119.7° | 55.0° |
| C27 | C18 | C19 | C20 | 166.1° | 175.0° |
| C27 | C18 | C19 | H191 | 68.6° | 65.0° |
| C27 | C18 | C19 | H192 | 40.9° | 55.0° |
| C18 | C27 | C28 | S1 | 173.5° | 180.0° |
| C18 | C27 | C28 | H271 | 125.3° | 120.0° |
| C18 | C27 | C28 | H272 | 125.3° | 120.0° |
| C18 | C27 | C28 | H281 | 61.2° | 60.0° |
| C18 | C27 | C28 | H282 | 48.3° | 60.0° |
| C18 | C27 | H271 | H272 | 119.1° | 120.0° |
| H181 | C18 | C19 | C20 | 49.0° | 55.0° |
| H181 | C18 | C19 | H191 | 174.2° | 175.0° |
| H181 | C18 | C19 | H192 | 76.3° | 65.0° |
| H181 | C18 | C27 | C28 | 122.3° | 55.0° |
| H181 | C18 | C27 | H271 | 112.4° | 175.0° |
| H181 | C18 | C27 | H272 | 3.0° | 65.0° |
| C20 | C19 | H191 | H192 | 116.3° | 119.9° |
| C19 | C20 | C21 | H201 | 125.3° | 120.0° |
| C19 | C20 | C21 | H202 | 125.3° | 120.0° |
| C19 | C20 | H201 | H202 | 118.4° | 119.9° |
| C19 | C20 | C21 | C22 | 96.0° | 90.0° |
| C19 | C20 | C21 | C26 | 82.8° | 90.2° |
| H191 | C19 | C20 | C21 | 48.2° | 59.9° |
| H191 | C19 | C20 | H201 | 173.5° | NaN° |
| H191 | C19 | C20 | H202 | 77.1° | 60.1° |
| H192 | C19 | C20 | C21 | 61.4° | 60.0° |
| H192 | C19 | C20 | H201 | 63.9° | 60.1° |
| H192 | C19 | C20 | H202 | 173.3° | 180.0° |
| C21 | C20 | H201 | H202 | 118.5° | 120.0° |
| C20 | C21 | C22 | C26 | 178.8° | 179.8° |
| C20 | C21 | C22 | C23 | 178.7° | 180.0° |
| C20 | C21 | C22 | H221 | 1.4° | 0.0° |
| C20 | C21 | C26 | C25 | 179.0° | 179.8° |
| C20 | C21 | C26 | H261 | 1.0° | 0.1° |
| H201 | C20 | C21 | C22 | 29.3° | 30.0° |
| H201 | C20 | C21 | C26 | 151.9° | 149.8° |
| H202 | C20 | C21 | C22 | 138.7° | 150.1° |
| H202 | C20 | C21 | C26 | 42.5° | 29.8° |
| C21 | C22 | C23 | H221 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.1° |
| C21 | C22 | C23 | H231 | 180.0° | 180.0° |
| C22 | C21 | C26 | C25 | 0.1° | 0.4° |
| C22 | C21 | C26 | H261 | 179.9° | 180.0° |
| C26 | C21 | C22 | C23 | 0.1° | 0.2° |
| C26 | C21 | C22 | H221 | 179.8° | 179.8° |
| C21 | C26 | C25 | C24 | 0.4° | 0.4° |
| C21 | C26 | C25 | H261 | 180.0° | 179.6° |
| C21 | C26 | C25 | H251 | 179.5° | 179.8° |
| C22 | C23 | C24 | H231 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.2° | 0.1° |
| C22 | C23 | C24 | H241 | 179.8° | 180.0° |
| H221 | C22 | C23 | C24 | 179.9° | 180.0° |
| H221 | C22 | C23 | H231 | 0.1° | 0.1° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.5° | 0.2° |
| C23 | C24 | C25 | H251 | 179.5° | 180.0° |
| H231 | C23 | C24 | C25 | 179.7° | 180.0° |
| H231 | C23 | C24 | H241 | 0.2° | 0.1° |
| C24 | C25 | C26 | H251 | 180.0° | 179.8° |
| C24 | C25 | C26 | H261 | 179.6° | 180.0° |
| H241 | C24 | C25 | C26 | 179.5° | 179.8° |
| H241 | C24 | C25 | H251 | 0.5° | 0.0° |
| H251 | C25 | C26 | H261 | 0.5° | 0.2° |
| S1 | C28 | C27 | H281 | 125.3° | 120.0° |
| S1 | C28 | C27 | H282 | 125.2° | 120.0° |
| S1 | C28 | H281 | H282 | 104.9° | 120.0° |
| C28 | S1 | O4 | O5 | 115.6° | 135.8° |
| C28 | S1 | O4 | O29 | 118.2° | 109.9° |
| C28 | S1 | O5 | O29 | 121.4° | 109.9° |
| C28 | S1 | O29 | C30 | 128.6° | 75.0° |
| S1 | C28 | C27 | H271 | 61.2° | 60.0° |
| S1 | C28 | C27 | H272 | 48.2° | 60.0° |
| C27 | C28 | H281 | H282 | 104.7° | 120.0° |
| C27 | C28 | S1 | O4 | 166.3° | 70.2° |
| C27 | C28 | S1 | O5 | 44.3° | 70.3° |
| C27 | C28 | S1 | O29 | 75.9° | 180.0° |
| C28 | C27 | H271 | H272 | 119.1° | 120.0° |
| H281 | C28 | S1 | O4 | 68.5° | 49.7° |
| H281 | C28 | S1 | O5 | 169.6° | 169.7° |
| H281 | C28 | S1 | O29 | 49.3° | 60.0° |
| H281 | C28 | C27 | H271 | 64.1° | 180.0° |
| H281 | C28 | C27 | H272 | 173.5° | 60.0° |
| H282 | C28 | S1 | O4 | 41.1° | 169.8° |
| H282 | C28 | S1 | O5 | 80.9° | 49.7° |
| H282 | C28 | S1 | O29 | 158.9° | 60.0° |
| H282 | C28 | C27 | H271 | 173.6° | 60.0° |
| H282 | C28 | C27 | H272 | 77.0° | 179.9° |
| O4 | S1 | O5 | O29 | 126.8° | 114.3° |
| O4 | S1 | O29 | C30 | 17.2° | 41.1° |
| O5 | S1 | O29 | C30 | 112.5° | 168.8° |
| S1 | O29 | C30 | C31 | 142.0° | 90.0° |
| S1 | O29 | C30 | C35 | 18.3° | 90.0° |
| O29 | C30 | C31 | C35 | 162.0° | 180.0° |
| O29 | C30 | C31 | C32 | 158.6° | 180.0° |
| O29 | C30 | C31 | H311 | 21.3° | 0.0° |
| O29 | C30 | C35 | C34 | 154.2° | 179.7° |
| O29 | C30 | C35 | H351 | 25.8° | 0.0° |
| C30 | C31 | C32 | H311 | 179.9° | 180.0° |
| C30 | C31 | C32 | C33 | 1.0° | 0.1° |
| C30 | C31 | C32 | H321 | 178.9° | 180.0° |
| C31 | C30 | C35 | C34 | 3.2° | 0.3° |
| C31 | C30 | C35 | H351 | 176.9° | 180.0° |
| C35 | C30 | C31 | C32 | 3.4° | 0.0° |
| C35 | C30 | C31 | H311 | 176.7° | 179.9° |
| C30 | C35 | C34 | C33 | 0.8° | 0.6° |
| C30 | C35 | C34 | H351 | 180.0° | 179.7° |
| C30 | C35 | C34 | H341 | 179.2° | 180.0° |
| C31 | C32 | C33 | H321 | 180.0° | 179.9° |
| C31 | C32 | C33 | N3 | 175.6° | 180.0° |
| C31 | C32 | C33 | C34 | 1.3° | 0.4° |
| H311 | C31 | C32 | C33 | 179.0° | 179.9° |
| H311 | C31 | C32 | H321 | 1.0° | 0.0° |
| C32 | C33 | N3 | C34 | 174.3° | 179.6° |
| C32 | C33 | N3 | O8 | 176.2° | 179.7° |
| C32 | C33 | N3 | O9 | 1.8° | 0.1° |
| C32 | C33 | C34 | C35 | 1.4° | 0.6° |
| C32 | C33 | C34 | H341 | 178.6° | 180.0° |
| H321 | C32 | C33 | N3 | 4.4° | 0.1° |
| H321 | C32 | C33 | C34 | 178.7° | 179.7° |
| C33 | N3 | O8 | O9 | 178.0° | 179.7° |
| N3 | C33 | C34 | C35 | 175.5° | 179.7° |
| N3 | C33 | C34 | H341 | 4.5° | 0.3° |
| C34 | C33 | N3 | O8 | 1.9° | 0.6° |
| C34 | C33 | N3 | O9 | 176.1° | 179.7° |
| C33 | C34 | C35 | H341 | 180.0° | 179.4° |
| C33 | C34 | C35 | H351 | 179.3° | 179.7° |
| H341 | C34 | C35 | H351 | 0.7° | 0.3° |
