736
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | doub | 1.32Å | 1.35Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| N2 | C3 | sing | 1.32Å | 1.36Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.43Å | Aromatic |
| C3 | C9 | sing | 1.50Å | 1.50Å | |
| C4 | C5 | sing | 1.41Å | 1.42Å | Aromatic |
| C4 | C13 | sing | 1.46Å | 1.50Å | |
| C5 | C6 | doub | 1.38Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | sing | 1.50Å | 1.51Å | |
| C9 | C24 | sing | 1.53Å | 1.56Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | doub | 1.39Å | 1.45Å | Aromatic |
| C10 | C18 | sing | 1.38Å | 1.43Å | Aromatic |
| C11 | C12 | sing | 1.47Å | 1.51Å | |
| C11 | C21 | sing | 1.40Å | 1.43Å | Aromatic |
| C12 | C13 | doub | 1.32Å | 1.38Å | |
| C12 | N1 | sing | 1.39Å | 1.48Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | doub | 1.38Å | 1.42Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | sing | 1.39Å | 1.42Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | doub | 1.38Å | 1.42Å | Aromatic |
| C20 | CL40 | sing | 1.74Å | 1.73Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | C29 | sing | 1.53Å | 1.53Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | N27 | sing | 1.47Å | 1.47Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| N27 | C28 | sing | 1.47Å | 1.47Å | |
| N27 | S1 | sing | 1.66Å | 1.73Å | |
| C28 | C29 | sing | 1.54Å | 1.51Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| S1 | O1 | doub | 1.42Å | 1.43Å | |
| S1 | C15 | sing | 1.81Å | 1.78Å | |
| S1 | O2 | doub | 1.42Å | 1.43Å | |
| N1 | C2 | sing | 1.47Å | 1.47Å | |
| N1 | C7 | sing | 1.47Å | 1.47Å | |
| C2 | C8 | sing | 1.53Å | 1.52Å | |
| C2 | H21A | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C7 | C14 | sing | 1.53Å | 1.52Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | N3 | sing | 1.47Å | 1.47Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C14 | N3 | sing | 1.47Å | 1.47Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| N3 | HN3 | sing | 1.01Å | 1.00Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | C6 | 120.2° | 121.0° |
| N2 | C1 | H1 | 119.9° | 119.5° |
| C1 | N2 | C3 | 122.5° | 122.3° |
| C6 | C1 | H1 | 119.9° | 119.5° |
| C1 | C6 | C5 | 118.6° | 119.2° |
| C1 | C6 | H6 | 120.7° | 120.4° |
| N2 | C3 | C4 | 120.7° | 120.1° |
| N2 | C3 | C9 | 117.5° | 118.8° |
| C4 | C3 | C9 | 121.8° | 121.1° |
| C3 | C4 | C5 | 117.3° | 119.0° |
| C3 | C4 | C13 | 123.0° | 121.9° |
| C3 | C9 | C10 | 115.2° | 110.7° |
| C3 | C9 | C24 | 111.1° | 109.3° |
| C3 | C9 | H9 | 105.3° | 109.2° |
| C5 | C4 | C13 | 119.6° | 119.1° |
| C4 | C5 | C6 | 120.7° | 118.4° |
| C4 | C5 | H5 | 119.7° | 120.8° |
| C4 | C13 | C12 | 128.5° | 126.2° |
| C4 | C13 | H13 | 115.8° | 116.9° |
| C6 | C5 | H5 | 119.6° | 120.8° |
| C5 | C6 | H6 | 120.7° | 120.5° |
| C10 | C9 | C24 | 112.7° | 109.2° |
| C10 | C9 | H9 | 103.5° | 109.2° |
| C9 | C10 | C11 | 122.3° | 121.2° |
| C9 | C10 | C18 | 118.2° | 119.0° |
| C24 | C9 | H9 | 108.3° | 109.2° |
| C9 | C24 | C25 | 112.0° | 109.5° |
| C9 | C24 | C29 | 111.0° | 109.4° |
| C9 | C24 | H24 | 107.3° | 109.4° |
| C11 | C10 | C18 | 119.5° | 119.8° |
| C10 | C11 | C12 | 122.2° | 121.7° |
| C10 | C11 | C21 | 119.2° | 119.5° |
| C10 | C18 | C19 | 120.6° | 120.5° |
| C10 | C18 | H18 | 119.7° | 119.8° |
| C12 | C11 | C21 | 118.6° | 118.9° |
| C11 | C12 | C13 | 124.2° | 126.2° |
| C11 | C12 | N1 | 116.4° | 116.9° |
| C11 | C21 | C20 | 120.7° | 120.2° |
| C11 | C21 | H21 | 119.6° | 119.9° |
| C13 | C12 | N1 | 119.4° | 116.9° |
| C12 | C13 | H13 | 115.8° | 116.9° |
| C12 | N1 | C2 | 112.5° | 121.1° |
| C12 | N1 | C7 | 115.7° | 121.0° |
| C19 | C18 | H18 | 119.7° | 119.8° |
| C18 | C19 | C20 | 120.0° | 120.1° |
| C18 | C19 | H19 | 120.0° | 120.0° |
| C20 | C19 | H19 | 120.0° | 119.9° |
| C19 | C20 | C21 | 120.1° | 120.0° |
| C19 | C20 | CL40 | 120.1° | 120.0° |
| C21 | C20 | CL40 | 119.8° | 120.0° |
| C20 | C21 | H21 | 119.7° | 119.9° |
| C25 | C24 | C29 | 111.4° | 109.6° |
| C25 | C24 | H24 | 106.9° | 109.5° |
| C24 | C25 | C26 | 112.8° | 109.3° |
| C24 | C25 | H251 | 107.6° | 109.5° |
| C24 | C25 | H252 | 108.4° | 109.5° |
| C29 | C24 | H24 | 108.0° | 109.4° |
| C24 | C29 | C28 | 113.1° | 109.2° |
| C24 | C29 | H291 | 107.5° | 109.5° |
| C24 | C29 | H292 | 108.3° | 109.5° |
| C26 | C25 | H251 | 107.6° | 109.5° |
| C26 | C25 | H252 | 108.4° | 109.5° |
| C25 | C26 | N27 | 108.9° | 108.8° |
| C25 | C26 | H261 | 109.7° | 109.5° |
| C25 | C26 | H262 | 109.7° | 109.6° |
| H251 | C25 | H252 | 112.1° | 109.5° |
| N27 | C26 | H261 | 109.8° | 109.6° |
| N27 | C26 | H262 | 109.6° | 109.6° |
| C26 | N27 | C28 | 110.8° | 118.8° |
| C26 | N27 | S1 | 120.1° | 120.7° |
| H261 | C26 | H262 | 109.1° | 109.7° |
| C28 | N27 | S1 | 120.1° | 120.6° |
| N27 | C28 | C29 | 109.0° | 108.5° |
| N27 | C28 | H281 | 109.7° | 109.8° |
| N27 | C28 | H282 | 109.6° | 109.5° |
| N27 | S1 | O1 | 104.6° | 102.8° |
| N27 | S1 | C15 | 108.2° | 103.1° |
| N27 | S1 | O2 | 104.5° | 102.8° |
| C29 | C28 | H281 | 109.7° | 109.6° |
| C29 | C28 | H282 | 109.7° | 109.6° |
| C28 | C29 | H291 | 107.4° | 109.6° |
| C28 | C29 | H292 | 108.3° | 109.4° |
| H281 | C28 | H282 | 109.1° | 109.8° |
| H291 | C29 | H292 | 112.4° | 109.5° |
| O1 | S1 | C15 | 109.6° | 111.6° |
| O1 | S1 | O2 | 119.7° | 122.1° |
| C15 | S1 | O2 | 109.6° | 111.6° |
| S1 | C15 | H151 | 109.4° | 109.5° |
| S1 | C15 | H152 | 109.5° | 109.5° |
| S1 | C15 | H153 | 109.5° | 109.4° |
| C2 | N1 | C7 | 109.5° | 117.9° |
| N1 | C2 | C8 | 108.7° | 108.4° |
| N1 | C2 | H21A | 109.9° | 109.6° |
| N1 | C2 | H22 | 109.8° | 109.7° |
| N1 | C7 | C14 | 108.7° | 108.6° |
| N1 | C7 | H71 | 109.9° | 109.8° |
| N1 | C7 | H72 | 109.7° | 109.4° |
| C8 | C2 | H21A | 109.9° | 109.7° |
| C8 | C2 | H22 | 109.7° | 109.7° |
| C2 | C8 | N3 | 109.6° | 109.6° |
| C2 | C8 | H81 | 109.4° | 109.5° |
| C2 | C8 | H82 | 109.4° | 109.5° |
| H21A | C2 | H22 | 108.8° | 109.7° |
| C14 | C7 | H71 | 109.9° | 109.7° |
| C14 | C7 | H72 | 109.7° | 109.6° |
| C7 | C14 | N3 | 109.9° | 109.7° |
| C7 | C14 | H141 | 109.2° | 109.5° |
| C7 | C14 | H142 | 109.3° | 109.3° |
| H71 | C7 | H72 | 108.9° | 109.7° |
| N3 | C8 | H81 | 109.4° | 109.4° |
| N3 | C8 | H82 | 109.4° | 109.4° |
| C8 | N3 | C14 | 111.1° | 107.4° |
| C8 | N3 | HN3 | 108.9° | 106.7° |
| H81 | C8 | H82 | 109.6° | 109.4° |
| N3 | C14 | H141 | 109.2° | 109.5° |
| N3 | C14 | H142 | 109.4° | 109.5° |
| C14 | N3 | HN3 | 109.0° | 106.7° |
| H141 | C14 | H142 | 109.8° | 109.4° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H151 | C15 | H153 | 109.5° | 109.5° |
| H152 | C15 | H153 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | C6 | H1 | 180.0° | 180.0° |
| C1 | N2 | C3 | C4 | 0.2° | 0.4° |
| C1 | N2 | C3 | C9 | 179.9° | 179.4° |
| N2 | C1 | C6 | C5 | 0.0° | 0.3° |
| N2 | C1 | C6 | H6 | 180.0° | 179.8° |
| C6 | C1 | N2 | C3 | 0.1° | 0.1° |
| C1 | C6 | C5 | C4 | 0.3° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | H5 | 179.8° | 180.0° |
| H1 | C1 | N2 | C3 | 179.9° | 180.0° |
| H1 | C1 | C6 | C5 | 180.0° | 179.7° |
| H1 | C1 | C6 | H6 | 0.0° | 0.2° |
| N2 | C3 | C4 | C9 | 180.0° | 179.8° |
| N2 | C3 | C4 | C5 | 0.4° | 0.6° |
| N2 | C3 | C4 | C13 | 177.5° | 179.3° |
| N2 | C3 | C9 | C10 | 122.0° | 116.0° |
| N2 | C3 | C9 | C24 | 108.4° | 123.7° |
| N2 | C3 | C9 | H9 | 8.7° | 4.3° |
| C3 | C4 | C5 | C13 | 178.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.5° | 0.4° |
| C3 | C4 | C5 | H5 | 179.6° | 179.5° |
| C4 | C3 | C9 | C10 | 58.0° | 63.8° |
| C4 | C3 | C9 | C24 | 71.6° | 56.5° |
| C4 | C3 | C9 | H9 | 171.4° | 175.9° |
| C3 | C4 | C13 | C12 | 34.8° | 40.6° |
| C3 | C4 | C13 | H13 | 145.1° | 139.5° |
| C9 | C3 | C4 | C5 | 179.6° | 179.2° |
| C9 | C3 | C4 | C13 | 2.4° | 0.9° |
| C3 | C9 | C10 | C24 | 128.9° | 120.4° |
| C3 | C9 | C10 | H9 | 114.4° | 120.2° |
| C3 | C9 | C24 | H9 | 115.2° | 119.4° |
| C3 | C9 | C10 | C11 | 59.8° | 63.7° |
| C3 | C9 | C10 | C18 | 120.6° | 116.3° |
| C3 | C9 | C24 | C25 | 179.6° | 179.4° |
| C3 | C9 | C24 | C29 | 55.2° | 59.3° |
| C3 | C9 | C24 | H24 | 62.6° | 60.6° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 179.7° | 180.0° |
| C5 | C4 | C13 | C12 | 147.3° | 139.5° |
| C5 | C4 | C13 | H13 | 32.7° | 40.4° |
| C13 | C4 | C5 | C6 | 177.6° | 179.5° |
| C13 | C4 | C5 | H5 | 2.4° | 0.6° |
| C4 | C13 | C12 | C11 | 5.4° | 0.1° |
| C4 | C13 | C12 | H13 | 180.0° | 180.0° |
| C4 | C13 | C12 | N1 | 175.6° | 179.9° |
| H5 | C5 | C6 | H6 | 0.3° | 0.1° |
| C10 | C9 | C24 | H9 | 113.9° | 119.4° |
| C9 | C10 | C11 | C18 | 179.6° | 180.0° |
| C9 | C10 | C11 | C12 | 2.6° | 1.1° |
| C9 | C10 | C11 | C21 | 179.7° | 179.5° |
| C9 | C10 | C18 | C19 | 179.4° | 179.6° |
| C9 | C10 | C18 | H18 | 0.6° | 0.3° |
| C10 | C9 | C24 | C25 | 48.6° | 59.4° |
| C10 | C9 | C24 | C29 | 173.8° | 179.5° |
| C10 | C9 | C24 | H24 | 68.4° | 60.6° |
| C24 | C9 | C10 | C11 | 69.1° | 56.7° |
| C24 | C9 | C10 | C18 | 110.5° | 123.3° |
| C9 | C24 | C25 | C29 | 125.0° | 120.0° |
| C9 | C24 | C25 | H24 | 117.2° | 120.0° |
| C9 | C24 | C29 | H24 | 117.4° | 119.9° |
| C9 | C24 | C25 | C26 | 171.6° | 178.6° |
| C9 | C24 | C25 | H251 | 53.0° | 61.4° |
| C9 | C24 | C25 | H252 | 68.4° | 58.7° |
| C9 | C24 | C29 | C28 | 171.9° | 178.5° |
| C9 | C24 | C29 | H291 | 69.7° | 61.5° |
| C9 | C24 | C29 | H292 | 51.9° | 58.6° |
| H9 | C9 | C10 | C11 | 174.2° | 176.1° |
| H9 | C9 | C10 | C18 | 6.2° | 3.9° |
| H9 | C9 | C24 | C25 | 65.2° | 60.0° |
| H9 | C9 | C24 | C29 | 60.0° | 60.1° |
| H9 | C9 | C24 | H24 | 177.8° | 180.0° |
| C10 | C11 | C12 | C21 | 177.1° | 179.5° |
| C10 | C11 | C12 | C13 | 41.1° | 40.5° |
| C10 | C11 | C12 | N1 | 139.9° | 139.5° |
| C11 | C10 | C18 | C19 | 0.2° | 0.4° |
| C11 | C10 | C18 | H18 | 179.8° | 179.7° |
| C10 | C11 | C21 | C20 | 0.8° | 0.3° |
| C10 | C11 | C21 | H21 | 179.2° | 179.6° |
| C18 | C10 | C11 | C12 | 177.0° | 178.9° |
| C18 | C10 | C11 | C21 | 0.1° | 0.5° |
| C10 | C18 | C19 | H18 | 180.0° | 179.9° |
| C10 | C18 | C19 | C20 | 0.1° | 0.0° |
| C10 | C18 | C19 | H19 | 179.9° | 180.0° |
| C11 | C12 | C13 | N1 | 179.0° | 180.0° |
| C11 | C12 | C13 | H13 | 174.6° | 179.9° |
| C12 | C11 | C21 | C20 | 176.4° | 179.2° |
| C12 | C11 | C21 | H21 | 3.6° | 0.9° |
| C11 | C12 | N1 | C2 | 67.3° | 118.7° |
| C11 | C12 | N1 | C7 | 165.8° | 61.1° |
| C21 | C11 | C12 | C13 | 141.8° | 140.0° |
| C21 | C11 | C12 | N1 | 37.2° | 39.9° |
| C11 | C21 | C20 | C19 | 1.2° | 0.0° |
| C11 | C21 | C20 | H21 | 180.0° | 179.9° |
| C11 | C21 | C20 | CL40 | 177.5° | 180.0° |
| C13 | C12 | N1 | C2 | 113.6° | 61.3° |
| C13 | C12 | N1 | C7 | 13.2° | 119.0° |
| N1 | C12 | C13 | H13 | 4.4° | 0.1° |
| C12 | N1 | C2 | C7 | 130.1° | 179.7° |
| C12 | N1 | C2 | C8 | 167.2° | 131.0° |
| C12 | N1 | C2 | H21A | 72.5° | 109.3° |
| C12 | N1 | C2 | H22 | 47.2° | 11.3° |
| C12 | N1 | C7 | C14 | 169.2° | 131.1° |
| C12 | N1 | C7 | H71 | 48.9° | 11.2° |
| C12 | N1 | C7 | H72 | 70.8° | 109.3° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.8° | 0.2° |
| C18 | C19 | C20 | CL40 | 177.9° | 179.8° |
| H18 | C18 | C19 | C20 | 179.9° | 179.9° |
| H18 | C18 | C19 | H19 | 0.1° | 0.1° |
| C19 | C20 | C21 | CL40 | 178.7° | 180.0° |
| C19 | C20 | C21 | H21 | 178.9° | 180.0° |
| H19 | C19 | C20 | C21 | 179.2° | 179.8° |
| H19 | C19 | C20 | CL40 | 2.1° | 0.2° |
| CL40 | C20 | C21 | H21 | 2.4° | 0.0° |
| C25 | C24 | C29 | H24 | 117.1° | 120.0° |
| C24 | C25 | C26 | H251 | 118.6° | 120.0° |
| C24 | C25 | C26 | H252 | 120.0° | 119.9° |
| C24 | C25 | H251 | H252 | 119.1° | 120.1° |
| C24 | C25 | C26 | N27 | 55.2° | 54.7° |
| C24 | C25 | C26 | H261 | 175.4° | 174.4° |
| C24 | C25 | C26 | H262 | 64.8° | 65.2° |
| C25 | C24 | C29 | C28 | 46.3° | 61.5° |
| C25 | C24 | C29 | H291 | 164.7° | 58.6° |
| C25 | C24 | C29 | H292 | 73.7° | 178.7° |
| C29 | C24 | C25 | C26 | 46.6° | 61.4° |
| C29 | C24 | C25 | H251 | 72.0° | 58.6° |
| C29 | C24 | C25 | H252 | 166.6° | 178.7° |
| C24 | C29 | C28 | N27 | 54.6° | 54.8° |
| C24 | C29 | C28 | H291 | 118.4° | 120.0° |
| C24 | C29 | C28 | H292 | 120.0° | 119.9° |
| C24 | C29 | C28 | H281 | 174.8° | 65.1° |
| C24 | C29 | C28 | H282 | 65.3° | 174.4° |
| C24 | C29 | H291 | H292 | 119.0° | 120.1° |
| H24 | C24 | C25 | C26 | 71.2° | 58.6° |
| H24 | C24 | C25 | H251 | 170.3° | 178.6° |
| H24 | C24 | C25 | H252 | 48.8° | 61.3° |
| H24 | C24 | C29 | C28 | 70.7° | 58.6° |
| H24 | C24 | C29 | H291 | 47.7° | 178.6° |
| H24 | C24 | C29 | H292 | 169.2° | 61.3° |
| C26 | C25 | H251 | H252 | 119.0° | 120.1° |
| C25 | C26 | N27 | H261 | 120.2° | 119.7° |
| C25 | C26 | N27 | H262 | 120.0° | 119.9° |
| C25 | C26 | H261 | H262 | 120.1° | 120.4° |
| C25 | C26 | N27 | C28 | 64.5° | 53.9° |
| C25 | C26 | N27 | S1 | 148.3° | 126.4° |
| H251 | C25 | C26 | N27 | 63.3° | 65.3° |
| H251 | C25 | C26 | H261 | 56.9° | 54.5° |
| H251 | C25 | C26 | H262 | 176.7° | 174.9° |
| H252 | C25 | C26 | N27 | 175.2° | 174.6° |
| H252 | C25 | C26 | H261 | 64.6° | 65.7° |
| H252 | C25 | C26 | H262 | 55.2° | 54.7° |
| N27 | C26 | H261 | H262 | 120.1° | 120.4° |
| C26 | N27 | C28 | S1 | 147.2° | 179.7° |
| C26 | N27 | C28 | C29 | 64.1° | 53.9° |
| C26 | N27 | C28 | H281 | 175.7° | 65.9° |
| C26 | N27 | C28 | H282 | 55.9° | 173.5° |
| C26 | N27 | S1 | O1 | 175.6° | 26.2° |
| C26 | N27 | S1 | C15 | 67.6° | 90.0° |
| C26 | N27 | S1 | O2 | 49.1° | 153.8° |
| H261 | C26 | N27 | C28 | 175.3° | 173.7° |
| H261 | C26 | N27 | S1 | 28.1° | 6.7° |
| H262 | C26 | N27 | C28 | 55.5° | 65.9° |
| H262 | C26 | N27 | S1 | 91.7° | 113.8° |
| N27 | C28 | C29 | H281 | 120.2° | 119.9° |
| N27 | C28 | C29 | H282 | 120.0° | 119.6° |
| N27 | C28 | H281 | H282 | 120.1° | 120.5° |
| N27 | C28 | C29 | H291 | 173.1° | 65.2° |
| N27 | C28 | C29 | H292 | 65.3° | 174.7° |
| C28 | N27 | S1 | O1 | 31.5° | 153.5° |
| C28 | N27 | S1 | C15 | 148.2° | 90.3° |
| C28 | N27 | S1 | O2 | 95.1° | 25.9° |
| S1 | N27 | C28 | C29 | 148.7° | 126.4° |
| S1 | N27 | C28 | H281 | 28.5° | 113.8° |
| S1 | N27 | C28 | H282 | 91.3° | 6.8° |
| N27 | S1 | O1 | C15 | 115.7° | 109.9° |
| N27 | S1 | O1 | O2 | 116.5° | 114.3° |
| N27 | S1 | C15 | O2 | 113.3° | 109.8° |
| N27 | S1 | C15 | H151 | 70.0° | 60.0° |
| N27 | S1 | C15 | H152 | 50.0° | 60.0° |
| N27 | S1 | C15 | H153 | 170.0° | 180.0° |
| C29 | C28 | H281 | H282 | 120.2° | 120.4° |
| C28 | C29 | H291 | H292 | 119.0° | 120.1° |
| H281 | C28 | C29 | H291 | 66.7° | 174.9° |
| H281 | C28 | C29 | H292 | 54.8° | 54.8° |
| H282 | C28 | C29 | H291 | 53.1° | 54.4° |
| H282 | C28 | C29 | H292 | 174.7° | 65.7° |
| O1 | S1 | C15 | O2 | 133.2° | 140.5° |
| O1 | S1 | C15 | H151 | 43.4° | 49.8° |
| O1 | S1 | C15 | H152 | 163.4° | 169.8° |
| O1 | S1 | C15 | H153 | 76.6° | 70.3° |
| S1 | C15 | H151 | H152 | 120.0° | 120.0° |
| S1 | C15 | H151 | H153 | 120.0° | 120.0° |
| S1 | C15 | H152 | H153 | 120.0° | 119.9° |
| O2 | S1 | C15 | H151 | 176.6° | 169.7° |
| O2 | S1 | C15 | H152 | 63.3° | 49.7° |
| O2 | S1 | C15 | H153 | 56.7° | 70.2° |
| N1 | C2 | C8 | H21A | 120.3° | 119.7° |
| N1 | C2 | C8 | H22 | 120.0° | 119.7° |
| N1 | C2 | H21A | H22 | 120.2° | 120.5° |
| C2 | N1 | C7 | C14 | 62.4° | 48.6° |
| C2 | N1 | C7 | H71 | 177.3° | 168.6° |
| C2 | N1 | C7 | H72 | 57.6° | 70.9° |
| N1 | C2 | C8 | N3 | 59.6° | 56.0° |
| N1 | C2 | C8 | H81 | 179.5° | 176.0° |
| N1 | C2 | C8 | H82 | 60.5° | 64.1° |
| C7 | N1 | C2 | C8 | 62.7° | 48.7° |
| C7 | N1 | C2 | H21A | 57.6° | 71.0° |
| C7 | N1 | C2 | H22 | 177.3° | 168.5° |
| N1 | C7 | C14 | H71 | 120.3° | 120.0° |
| N1 | C7 | C14 | H72 | 120.0° | 119.4° |
| N1 | C7 | H71 | H72 | 120.2° | 120.3° |
| N1 | C7 | C14 | N3 | 58.9° | 55.7° |
| N1 | C7 | C14 | H141 | 60.9° | 175.9° |
| N1 | C7 | C14 | H142 | 178.9° | 64.3° |
| C8 | C2 | H21A | H22 | 120.2° | 120.6° |
| C2 | C8 | N3 | H81 | 120.0° | 120.0° |
| C2 | C8 | N3 | H82 | 120.0° | 120.1° |
| C2 | C8 | H81 | H82 | 120.0° | 120.0° |
| C2 | C8 | N3 | C14 | 57.3° | 66.9° |
| C2 | C8 | N3 | HN3 | 177.4° | 179.0° |
| H21A | C2 | C8 | N3 | 60.8° | 63.7° |
| H21A | C2 | C8 | H81 | 59.1° | 56.3° |
| H21A | C2 | C8 | H82 | 179.2° | 176.3° |
| H22 | C2 | C8 | N3 | 179.6° | 175.7° |
| H22 | C2 | C8 | H81 | 60.5° | 64.3° |
| H22 | C2 | C8 | H82 | 59.6° | 55.7° |
| C14 | C7 | H71 | H72 | 120.2° | 120.5° |
| C7 | C14 | N3 | C8 | 57.2° | 66.7° |
| C7 | C14 | N3 | H141 | 119.8° | 120.2° |
| C7 | C14 | N3 | H142 | 120.0° | 119.9° |
| C7 | C14 | H141 | H142 | 119.9° | 119.7° |
| C7 | C14 | N3 | HN3 | 177.2° | 179.2° |
| H71 | C7 | C14 | N3 | 179.2° | 175.7° |
| H71 | C7 | C14 | H141 | 59.4° | 64.1° |
| H71 | C7 | C14 | H142 | 60.8° | 55.7° |
| H72 | C7 | C14 | N3 | 61.1° | 63.7° |
| H72 | C7 | C14 | H141 | 179.1° | 56.4° |
| H72 | C7 | C14 | H142 | 58.9° | 176.2° |
| N3 | C8 | H81 | H82 | 119.9° | 119.9° |
| C8 | N3 | C14 | HN3 | 120.0° | 114.1° |
| C8 | N3 | C14 | H141 | 62.7° | 173.1° |
| C8 | N3 | C14 | H142 | 177.2° | 53.2° |
| H81 | C8 | N3 | C14 | 177.3° | 173.1° |
| H81 | C8 | N3 | HN3 | 62.7° | 59.0° |
| H82 | C8 | N3 | C14 | 62.7° | 53.2° |
| H82 | C8 | N3 | HN3 | 57.3° | 60.9° |
| N3 | C14 | H141 | H142 | 119.9° | 120.0° |
| H141 | C14 | N3 | HN3 | 57.3° | 59.0° |
| H142 | C14 | N3 | HN3 | 62.8° | 60.9° |
| H151 | C15 | H152 | H153 | 120.0° | 120.1° |
