478
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C4 | sing | 1.54Å | 1.54Å | |
| C1 | O6 | sing | 1.44Å | 1.45Å | |
| C1 | H11A | sing | 1.09Å | 1.10Å | |
| C1 | H12A | sing | 1.09Å | 1.10Å | |
| C2 | C4 | sing | 1.55Å | 1.53Å | |
| C2 | C25 | sing | 1.55Å | 1.53Å | |
| C2 | H21A | sing | 1.09Å | 1.10Å | |
| C2 | H22A | sing | 1.09Å | 1.10Å | |
| C3 | N1 | sing | 1.35Å | 1.31Å | |
| C3 | O1 | sing | 1.35Å | 1.39Å | |
| C3 | O2 | doub | 1.21Å | 1.17Å | |
| C4 | O1 | sing | 1.45Å | 1.43Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.60Å | |
| C5 | C7 | sing | 1.53Å | 1.59Å | |
| C5 | N1 | sing | 1.46Å | 1.44Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | C14 | sing | 1.53Å | 1.59Å | |
| C6 | O3 | sing | 1.43Å | 1.39Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | doub | 1.38Å | 1.44Å | Aromatic |
| C8 | C10 | sing | 1.38Å | 1.45Å | Aromatic |
| C9 | C11 | sing | 1.38Å | 1.44Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C12 | doub | 1.38Å | 1.45Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C13 | doub | 1.38Å | 1.43Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | sing | 1.38Å | 1.47Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | N2 | sing | 1.47Å | 1.48Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | N2 | sing | 1.46Å | 1.56Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | C23 | sing | 1.53Å | 1.54Å | |
| C16 | C24 | sing | 1.53Å | 1.54Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | doub | 1.38Å | 1.43Å | Aromatic |
| C17 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | S1 | sing | 1.76Å | 1.71Å | |
| C18 | C19 | sing | 1.38Å | 1.43Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | doub | 1.39Å | 1.43Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | N3 | sing | 1.40Å | 1.31Å | |
| C21 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C25 | O6 | sing | 1.44Å | 1.42Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N2 | S1 | sing | 1.66Å | 1.78Å | |
| N3 | HN31 | sing | 0.97Å | 1.00Å | |
| N3 | HN32 | sing | 0.97Å | 1.00Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | S1 | doub | 1.42Å | 1.46Å | |
| O5 | S1 | doub | 1.42Å | 1.43Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C1 | O6 | 108.7° | 107.3° |
| C4 | C1 | H11A | 109.7° | 109.8° |
| C4 | C1 | H12A | 109.7° | 109.9° |
| C1 | C4 | C2 | 104.0° | 104.2° |
| C1 | C4 | O1 | 109.9° | 110.5° |
| C1 | C4 | H4 | 112.3° | 110.4° |
| O6 | C1 | H11A | 109.7° | 109.9° |
| O6 | C1 | H12A | 109.7° | 109.9° |
| C1 | O6 | C25 | 108.2° | 107.0° |
| H11A | C1 | H12A | 109.2° | 110.1° |
| C4 | C2 | C25 | 106.0° | 102.1° |
| C4 | C2 | H21A | 110.7° | 110.9° |
| C4 | C2 | H22A | 110.7° | 110.9° |
| C2 | C4 | O1 | 108.0° | 110.5° |
| C2 | C4 | H4 | 114.0° | 110.5° |
| C25 | C2 | H21A | 110.7° | 110.9° |
| C25 | C2 | H22A | 110.6° | 110.9° |
| C2 | C25 | O6 | 108.5° | 103.5° |
| C2 | C25 | H251 | 109.8° | 110.6° |
| C2 | C25 | H252 | 109.8° | 110.6° |
| H21A | C2 | H22A | 108.2° | 110.9° |
| N1 | C3 | O1 | 105.2° | 120.0° |
| N1 | C3 | O2 | 127.5° | 120.0° |
| C3 | N1 | C5 | 128.6° | 120.0° |
| C3 | N1 | HN1 | 115.7° | 120.0° |
| O1 | C3 | O2 | 126.2° | 120.0° |
| C3 | O1 | C4 | 125.9° | 117.0° |
| O1 | C4 | H4 | 108.5° | 110.6° |
| C6 | C5 | C7 | 118.7° | 109.5° |
| C6 | C5 | N1 | 108.9° | 109.5° |
| C6 | C5 | H5 | 102.6° | 109.5° |
| C5 | C6 | C14 | 120.6° | 109.4° |
| C5 | C6 | O3 | 109.0° | 109.5° |
| C5 | C6 | H6 | 100.1° | 109.5° |
| C7 | C5 | N1 | 107.3° | 109.5° |
| C7 | C5 | H5 | 104.5° | 109.5° |
| C5 | C7 | C8 | 111.7° | 109.5° |
| C5 | C7 | H71 | 108.7° | 109.5° |
| C5 | C7 | H72 | 108.7° | 109.5° |
| N1 | C5 | H5 | 115.1° | 109.5° |
| C5 | N1 | HN1 | 115.7° | 120.0° |
| C14 | C6 | O3 | 102.6° | 109.5° |
| C14 | C6 | H6 | 106.8° | 109.5° |
| C6 | C14 | N2 | 116.3° | 109.5° |
| C6 | C14 | H141 | 107.3° | 109.5° |
| C6 | C14 | H142 | 107.3° | 109.5° |
| O3 | C6 | H6 | 118.8° | 109.5° |
| C6 | O3 | HO3 | 109.5° | 114.0° |
| C8 | C7 | H71 | 108.7° | 109.5° |
| C8 | C7 | H72 | 108.7° | 109.4° |
| C7 | C8 | C9 | 118.4° | 120.0° |
| C7 | C8 | C10 | 121.5° | 120.0° |
| H71 | C7 | H72 | 110.2° | 109.4° |
| C9 | C8 | C10 | 119.6° | 120.0° |
| C8 | C9 | C11 | 121.7° | 120.0° |
| C8 | C9 | H9 | 119.2° | 120.0° |
| C8 | C10 | C12 | 118.5° | 120.0° |
| C8 | C10 | H10 | 120.7° | 120.0° |
| C11 | C9 | H9 | 119.2° | 120.0° |
| C9 | C11 | C13 | 120.1° | 120.0° |
| C9 | C11 | H11 | 119.9° | 120.0° |
| C12 | C10 | H10 | 120.8° | 120.0° |
| C10 | C12 | C13 | 121.5° | 120.0° |
| C10 | C12 | H12 | 119.2° | 120.0° |
| C13 | C11 | H11 | 120.0° | 120.0° |
| C11 | C13 | C12 | 118.6° | 120.0° |
| C11 | C13 | H13 | 120.7° | 120.1° |
| C13 | C12 | H12 | 119.3° | 120.0° |
| C12 | C13 | H13 | 120.7° | 120.0° |
| N2 | C14 | H141 | 107.3° | 109.5° |
| N2 | C14 | H142 | 107.3° | 109.5° |
| C14 | N2 | C15 | 112.6° | 120.0° |
| C14 | N2 | S1 | 118.4° | 120.0° |
| H141 | C14 | H142 | 111.5° | 109.5° |
| C16 | C15 | N2 | 109.3° | 109.5° |
| C16 | C15 | H151 | 109.5° | 109.5° |
| C16 | C15 | H152 | 109.5° | 109.4° |
| C15 | C16 | C23 | 115.9° | 109.5° |
| C15 | C16 | C24 | 117.7° | 109.5° |
| C15 | C16 | H16 | 99.8° | 109.4° |
| N2 | C15 | H151 | 109.5° | 109.5° |
| N2 | C15 | H152 | 109.5° | 109.4° |
| C15 | N2 | S1 | 122.4° | 120.0° |
| H151 | C15 | H152 | 109.4° | 109.4° |
| C23 | C16 | C24 | 115.6° | 109.5° |
| C23 | C16 | H16 | 103.2° | 109.5° |
| C16 | C23 | H231 | 109.5° | 109.5° |
| C16 | C23 | H232 | 109.4° | 109.5° |
| C16 | C23 | H233 | 109.4° | 109.5° |
| C24 | C16 | H16 | 100.3° | 109.5° |
| C16 | C24 | H241 | 109.5° | 109.5° |
| C16 | C24 | H242 | 109.5° | 109.4° |
| C16 | C24 | H243 | 109.4° | 109.5° |
| C18 | C17 | C22 | 120.1° | 120.2° |
| C18 | C17 | S1 | 121.7° | 119.9° |
| C17 | C18 | C19 | 119.7° | 120.1° |
| C17 | C18 | H18 | 120.1° | 120.0° |
| C22 | C17 | S1 | 118.1° | 119.9° |
| C17 | C22 | C21 | 120.4° | 120.1° |
| C17 | C22 | H22 | 119.8° | 120.0° |
| C17 | S1 | N2 | 114.5° | 107.2° |
| C17 | S1 | O4 | 105.6° | 106.4° |
| C17 | S1 | O5 | 102.9° | 106.4° |
| C19 | C18 | H18 | 120.1° | 119.9° |
| C18 | C19 | C20 | 118.4° | 119.9° |
| C18 | C19 | H19 | 120.8° | 120.1° |
| C20 | C19 | H19 | 120.8° | 120.0° |
| C19 | C20 | C21 | 121.3° | 119.9° |
| C19 | C20 | N3 | 120.0° | 120.1° |
| C21 | C20 | N3 | 118.4° | 120.0° |
| C20 | C21 | C22 | 119.9° | 119.9° |
| C20 | C21 | H21 | 120.0° | 120.1° |
| C20 | N3 | HN31 | 109.5° | 120.0° |
| C20 | N3 | HN32 | 109.5° | 120.0° |
| C22 | C21 | H21 | 120.1° | 120.0° |
| C21 | C22 | H22 | 119.8° | 119.9° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H231 | C23 | H233 | 109.5° | 109.5° |
| H232 | C23 | H233 | 109.5° | 109.4° |
| H241 | C24 | H242 | 109.4° | 109.4° |
| H241 | C24 | H243 | 109.5° | 109.5° |
| H242 | C24 | H243 | 109.5° | 109.5° |
| O6 | C25 | H251 | 109.8° | 110.6° |
| O6 | C25 | H252 | 109.8° | 110.6° |
| H251 | C25 | H252 | 109.2° | 110.7° |
| N2 | S1 | O4 | 109.3° | 106.4° |
| N2 | S1 | O5 | 113.4° | 106.4° |
| HN31 | N3 | HN32 | 109.5° | 120.0° |
| O4 | S1 | O5 | 110.8° | 123.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C1 | O6 | H11A | 120.0° | 119.4° |
| C4 | C1 | O6 | H12A | 120.0° | 119.4° |
| C4 | C1 | H11A | H12A | 120.3° | 121.1° |
| C1 | C4 | C2 | O1 | 116.7° | 118.7° |
| C1 | C4 | C2 | H4 | 122.6° | 118.6° |
| C1 | C4 | C2 | C25 | 1.0° | 20.9° |
| C1 | C4 | C2 | H21A | 119.0° | 139.0° |
| C1 | C4 | C2 | H22A | 121.0° | 97.3° |
| C1 | C4 | O1 | C3 | 166.7° | 91.4° |
| C1 | C4 | O1 | H4 | 123.1° | 122.6° |
| C4 | C1 | O6 | C25 | 21.9° | 26.5° |
| O6 | C1 | H11A | H12A | 120.3° | 121.1° |
| O6 | C1 | C4 | C2 | 13.5° | 2.0° |
| C1 | O6 | C25 | C2 | 21.1° | 40.1° |
| O6 | C1 | C4 | O1 | 101.9° | 116.6° |
| O6 | C1 | C4 | H4 | 137.2° | 120.7° |
| C1 | O6 | C25 | H251 | 98.9° | 78.4° |
| C1 | O6 | C25 | H252 | 141.1° | 158.6° |
| H11A | C1 | C4 | C2 | 133.5° | 121.4° |
| H11A | C1 | C4 | O1 | 18.1° | 2.8° |
| H11A | C1 | C4 | H4 | 102.8° | 119.9° |
| H11A | C1 | O6 | C25 | 141.9° | 145.9° |
| H12A | C1 | C4 | C2 | 106.5° | 117.3° |
| H12A | C1 | C4 | O1 | 138.1° | 124.0° |
| H12A | C1 | C4 | H4 | 17.2° | 1.3° |
| H12A | C1 | O6 | C25 | 98.1° | 92.8° |
| C4 | C2 | C25 | H21A | 120.0° | 118.2° |
| C4 | C2 | C25 | H22A | 120.0° | 118.2° |
| C4 | C2 | H21A | H22A | 121.5° | 123.7° |
| C2 | C4 | O1 | C3 | 80.5° | 153.8° |
| C2 | C4 | O1 | H4 | 124.1° | 122.6° |
| C4 | C2 | C25 | O6 | 12.1° | 37.0° |
| C4 | C2 | C25 | H251 | 107.9° | 81.5° |
| C4 | C2 | C25 | H252 | 132.1° | 155.5° |
| C25 | C2 | H21A | H22A | 121.4° | 123.6° |
| C25 | C2 | C4 | O1 | 115.7° | 139.6° |
| C25 | C2 | C4 | H4 | 123.6° | 97.8° |
| C2 | C25 | O6 | H251 | 120.0° | 118.5° |
| C2 | C25 | O6 | H252 | 120.0° | 118.5° |
| C2 | C25 | H251 | H252 | 120.4° | 122.9° |
| H21A | C2 | C4 | O1 | 124.3° | 102.3° |
| H21A | C2 | C4 | H4 | 3.6° | 20.4° |
| H21A | C2 | C25 | O6 | 132.2° | 155.2° |
| H21A | C2 | C25 | H251 | 12.2° | 36.7° |
| H21A | C2 | C25 | H252 | 107.8° | 86.3° |
| H22A | C2 | C4 | O1 | 4.3° | 21.4° |
| H22A | C2 | C4 | H4 | 116.4° | 144.0° |
| H22A | C2 | C25 | O6 | 107.9° | 81.2° |
| H22A | C2 | C25 | H251 | 132.1° | 160.3° |
| H22A | C2 | C25 | H252 | 12.1° | 37.3° |
| N1 | C3 | O1 | O2 | 168.8° | 180.0° |
| N1 | C3 | O1 | C4 | 168.2° | 180.0° |
| C3 | N1 | C5 | C6 | 108.1° | 155.0° |
| C3 | N1 | C5 | C7 | 122.2° | 85.0° |
| C3 | N1 | C5 | HN1 | 180.0° | 180.0° |
| C3 | N1 | C5 | H5 | 6.4° | 35.0° |
| C3 | O1 | C4 | H4 | 43.6° | 31.2° |
| O1 | C3 | N1 | C5 | 167.5° | 180.0° |
| O1 | C3 | N1 | HN1 | 12.5° | 0.0° |
| O2 | C3 | O1 | C4 | 0.6° | 0.0° |
| O2 | C3 | N1 | C5 | 23.9° | 0.0° |
| O2 | C3 | N1 | HN1 | 156.1° | 180.0° |
| C6 | C5 | C7 | N1 | 123.9° | 120.0° |
| C6 | C5 | C7 | H5 | 113.5° | 120.0° |
| C6 | C5 | N1 | H5 | 114.6° | 120.0° |
| C5 | C6 | C14 | O3 | 121.3° | 120.0° |
| C5 | C6 | C14 | H6 | 113.1° | 120.0° |
| C5 | C6 | O3 | H6 | 113.7° | 120.0° |
| C6 | C5 | C7 | C8 | 176.2° | 175.0° |
| C6 | C5 | C7 | H71 | 56.2° | 65.0° |
| C6 | C5 | C7 | H72 | 63.8° | 55.0° |
| C5 | C6 | C14 | N2 | 58.5° | 176.3° |
| C5 | C6 | C14 | H141 | 61.5° | 56.3° |
| C5 | C6 | C14 | H142 | 178.6° | 63.7° |
| C6 | C5 | N1 | HN1 | 71.9° | 25.0° |
| C5 | C6 | O3 | HO3 | 180.0° | 55.5° |
| C7 | C5 | N1 | H5 | 115.8° | 120.0° |
| C7 | C5 | C6 | C14 | 83.6° | 65.0° |
| C7 | C5 | C6 | O3 | 34.5° | 55.0° |
| C7 | C5 | C6 | H6 | 159.9° | 175.0° |
| C5 | C7 | C8 | H71 | 120.0° | 120.0° |
| C5 | C7 | C8 | H72 | 120.0° | 120.0° |
| C5 | C7 | H71 | H72 | 119.1° | 120.0° |
| C5 | C7 | C8 | C9 | 96.1° | 90.0° |
| C5 | C7 | C8 | C10 | 75.6° | 90.2° |
| C7 | C5 | N1 | HN1 | 57.8° | 95.0° |
| N1 | C5 | C6 | C14 | 153.3° | 175.0° |
| N1 | C5 | C6 | O3 | 88.6° | 65.0° |
| N1 | C5 | C6 | H6 | 36.8° | 55.0° |
| N1 | C5 | C7 | C8 | 52.3° | 65.0° |
| N1 | C5 | C7 | H71 | 67.7° | 55.0° |
| N1 | C5 | C7 | H72 | 172.3° | 175.0° |
| H5 | C5 | C6 | C14 | 30.8° | 55.0° |
| H5 | C5 | C6 | O3 | 148.9° | 175.0° |
| H5 | C5 | C6 | H6 | 85.7° | 65.0° |
| H5 | C5 | C7 | C8 | 70.3° | 55.0° |
| H5 | C5 | C7 | H71 | 169.7° | 175.0° |
| H5 | C5 | C7 | H72 | 49.7° | 65.0° |
| H5 | C5 | N1 | HN1 | 173.6° | 145.0° |
| C14 | C6 | O3 | H6 | 117.4° | 120.0° |
| C6 | C14 | N2 | H141 | 120.0° | 120.0° |
| C6 | C14 | N2 | H142 | 120.0° | 120.0° |
| C6 | C14 | H141 | H142 | 117.2° | 120.1° |
| C6 | C14 | N2 | C15 | 57.9° | 72.7° |
| C6 | C14 | N2 | S1 | 94.3° | 107.3° |
| C14 | C6 | O3 | HO3 | 51.1° | 64.5° |
| O3 | C6 | C14 | N2 | 179.8° | 63.7° |
| O3 | C6 | C14 | H141 | 59.8° | 176.3° |
| O3 | C6 | C14 | H142 | 60.2° | 56.3° |
| H6 | C6 | C14 | N2 | 54.5° | 56.3° |
| H6 | C6 | C14 | H141 | 174.5° | 63.7° |
| H6 | C6 | C14 | H142 | 65.5° | 176.3° |
| H6 | C6 | O3 | HO3 | 66.3° | 175.5° |
| C8 | C7 | H71 | H72 | 119.1° | 120.0° |
| C7 | C8 | C9 | C10 | 171.9° | 179.8° |
| C7 | C8 | C9 | C11 | 169.7° | 180.0° |
| C7 | C8 | C9 | H9 | 10.3° | 0.0° |
| C7 | C8 | C10 | C12 | 170.3° | 180.0° |
| C7 | C8 | C10 | H10 | 9.7° | 0.1° |
| H71 | C7 | C8 | C9 | 23.9° | 30.0° |
| H71 | C7 | C8 | C10 | 164.4° | 149.7° |
| H72 | C7 | C8 | C9 | 143.9° | 150.0° |
| H72 | C7 | C8 | C10 | 44.4° | 29.8° |
| C8 | C9 | C11 | H9 | 180.0° | 179.9° |
| C9 | C8 | C10 | C12 | 1.3° | 0.3° |
| C9 | C8 | C10 | H10 | 178.7° | 179.7° |
| C8 | C9 | C11 | C13 | 1.6° | 0.0° |
| C8 | C9 | C11 | H11 | 178.3° | 180.0° |
| C10 | C8 | C9 | C11 | 2.2° | 0.3° |
| C10 | C8 | C9 | H9 | 177.8° | 179.8° |
| C8 | C10 | C12 | H10 | 180.0° | 179.9° |
| C8 | C10 | C12 | C13 | 0.1° | 0.0° |
| C8 | C10 | C12 | H12 | 179.9° | 180.0° |
| C9 | C11 | C13 | H11 | 180.0° | 180.0° |
| C9 | C11 | C13 | C12 | 0.3° | 0.3° |
| C9 | C11 | C13 | H13 | 179.7° | 180.0° |
| H9 | C9 | C11 | C13 | 178.3° | 180.0° |
| H9 | C9 | C11 | H11 | 1.7° | 0.0° |
| C10 | C12 | C13 | C11 | 0.5° | 0.3° |
| C10 | C12 | C13 | H12 | 180.0° | 180.0° |
| C10 | C12 | C13 | H13 | 179.5° | 180.0° |
| H10 | C10 | C12 | C13 | 180.0° | 180.0° |
| H10 | C10 | C12 | H12 | 0.0° | 0.0° |
| C11 | C13 | C12 | H13 | 180.0° | 179.7° |
| C11 | C13 | C12 | H12 | 179.6° | 179.7° |
| H11 | C11 | C13 | C12 | 179.7° | 179.8° |
| H11 | C11 | C13 | H13 | 0.3° | 0.0° |
| H12 | C12 | C13 | H13 | 0.4° | 0.0° |
| N2 | C14 | H141 | H142 | 117.2° | 120.0° |
| C14 | N2 | C15 | C16 | 112.2° | 85.0° |
| C14 | N2 | C15 | S1 | 151.0° | 180.0° |
| C14 | N2 | C15 | H151 | 127.8° | 35.1° |
| C14 | N2 | C15 | H152 | 7.8° | 155.0° |
| C14 | N2 | S1 | C17 | 83.4° | 82.7° |
| C14 | N2 | S1 | O4 | 34.8° | 30.8° |
| C14 | N2 | S1 | O5 | 159.0° | 163.8° |
| H141 | C14 | N2 | C15 | 177.9° | 47.3° |
| H141 | C14 | N2 | S1 | 25.7° | 132.7° |
| H142 | C14 | N2 | C15 | 62.1° | 167.2° |
| H142 | C14 | N2 | S1 | 145.7° | 12.7° |
| C16 | C15 | N2 | H151 | 120.0° | 120.1° |
| C16 | C15 | N2 | H152 | 120.0° | 120.0° |
| C16 | C15 | H151 | H152 | 120.0° | 120.0° |
| C15 | C16 | C23 | C24 | 143.6° | 120.0° |
| C15 | C16 | C23 | H16 | 108.0° | 119.9° |
| C15 | C16 | C24 | H16 | 106.9° | 120.0° |
| C15 | C16 | C23 | H231 | 180.0° | 60.0° |
| C15 | C16 | C23 | H232 | 60.0° | 180.0° |
| C15 | C16 | C23 | H233 | 60.0° | 60.0° |
| C15 | C16 | C24 | H241 | 180.0° | 60.0° |
| C15 | C16 | C24 | H242 | 60.0° | 180.0° |
| C15 | C16 | C24 | H243 | 60.0° | 60.0° |
| C16 | C15 | N2 | S1 | 96.8° | 95.0° |
| N2 | C15 | H151 | H152 | 120.1° | 120.0° |
| N2 | C15 | C16 | C23 | 91.8° | 65.0° |
| N2 | C15 | C16 | C24 | 125.4° | 175.0° |
| N2 | C15 | C16 | H16 | 18.2° | 55.0° |
| C15 | N2 | S1 | C17 | 127.3° | 97.4° |
| C15 | N2 | S1 | O4 | 114.5° | 149.1° |
| C15 | N2 | S1 | O5 | 9.6° | 16.2° |
| H151 | C15 | C16 | C23 | 148.2° | 175.0° |
| H151 | C15 | C16 | C24 | 5.4° | 55.0° |
| H151 | C15 | C16 | H16 | 101.8° | 65.1° |
| H151 | C15 | N2 | S1 | 23.2° | 145.0° |
| H152 | C15 | C16 | C23 | 28.2° | 55.0° |
| H152 | C15 | C16 | C24 | 114.6° | 65.0° |
| H152 | C15 | C16 | H16 | 138.2° | 175.0° |
| H152 | C15 | N2 | S1 | 143.2° | 25.0° |
| C23 | C16 | C24 | H16 | 110.1° | 120.0° |
| C16 | C23 | H231 | H232 | 120.0° | 120.0° |
| C16 | C23 | H231 | H233 | 120.0° | 120.1° |
| C16 | C23 | H232 | H233 | 120.0° | 120.0° |
| C23 | C16 | C24 | H241 | 37.1° | 180.0° |
| C23 | C16 | C24 | H242 | 82.9° | 60.1° |
| C23 | C16 | C24 | H243 | 157.1° | 60.0° |
| C24 | C16 | C23 | H231 | 36.4° | 60.0° |
| C24 | C16 | C23 | H232 | 156.4° | 60.0° |
| C24 | C16 | C23 | H233 | 83.6° | 180.0° |
| C16 | C24 | H241 | H242 | 120.0° | 119.9° |
| C16 | C24 | H241 | H243 | 120.0° | 120.1° |
| C16 | C24 | H242 | H243 | 120.0° | 120.0° |
| H16 | C16 | C23 | H231 | 72.1° | 180.0° |
| H16 | C16 | C23 | H232 | 48.0° | 60.0° |
| H16 | C16 | C23 | H233 | 167.9° | 59.9° |
| H16 | C16 | C24 | H241 | 73.1° | 60.0° |
| H16 | C16 | C24 | H242 | 166.9° | 60.0° |
| H16 | C16 | C24 | H243 | 46.9° | 180.0° |
| C18 | C17 | C22 | S1 | 177.9° | 179.7° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 1.1° | 0.0° |
| C17 | C18 | C19 | H19 | 178.9° | 180.0° |
| C18 | C17 | C22 | C21 | 3.0° | 0.0° |
| C18 | C17 | C22 | H22 | 177.0° | 180.0° |
| C18 | C17 | S1 | N2 | 104.0° | 87.4° |
| C18 | C17 | S1 | O4 | 16.3° | 159.0° |
| C18 | C17 | S1 | O5 | 132.5° | 26.1° |
| C22 | C17 | C18 | C19 | 2.5° | 0.0° |
| C22 | C17 | C18 | H18 | 177.5° | 179.9° |
| C17 | C22 | C21 | C20 | 0.1° | 0.0° |
| C17 | C22 | C21 | H22 | 180.0° | 180.0° |
| C17 | C22 | C21 | H21 | 179.9° | 180.0° |
| C22 | C17 | S1 | N2 | 73.8° | 92.8° |
| C22 | C17 | S1 | O4 | 165.9° | 20.7° |
| C22 | C17 | S1 | O5 | 49.7° | 153.6° |
| S1 | C17 | C18 | C19 | 175.3° | 179.8° |
| S1 | C17 | C18 | H18 | 4.7° | 0.4° |
| S1 | C17 | C22 | C21 | 174.8° | 179.7° |
| S1 | C17 | C22 | H22 | 5.1° | 0.2° |
| C17 | S1 | N2 | O4 | 118.2° | 113.5° |
| C17 | S1 | N2 | O5 | 117.7° | 113.5° |
| C17 | S1 | O4 | O5 | 110.7° | 122.9° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 4.2° | 0.0° |
| C18 | C19 | C20 | N3 | 177.9° | 180.0° |
| H18 | C18 | C19 | C20 | 179.0° | 179.9° |
| H18 | C18 | C19 | H19 | 1.1° | 0.1° |
| C19 | C20 | C21 | N3 | 173.8° | 180.0° |
| C19 | C20 | C21 | C22 | 3.7° | 0.0° |
| C19 | C20 | C21 | H21 | 176.2° | 180.0° |
| C19 | C20 | N3 | HN31 | 180.0° | 0.0° |
| C19 | C20 | N3 | HN32 | 60.0° | 180.0° |
| H19 | C19 | C20 | C21 | 175.8° | 180.0° |
| H19 | C19 | C20 | N3 | 2.0° | 0.0° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | H22 | 179.9° | 180.0° |
| C21 | C20 | N3 | HN31 | 6.0° | 180.0° |
| C21 | C20 | N3 | HN32 | 113.9° | 0.0° |
| N3 | C20 | C21 | C22 | 177.6° | 180.0° |
| N3 | C20 | C21 | H21 | 2.4° | 0.0° |
| C20 | N3 | HN31 | HN32 | 120.0° | 180.0° |
| H21 | C21 | C22 | H22 | 0.1° | 0.1° |
| H231 | C23 | H232 | H233 | 120.0° | 119.9° |
| H241 | C24 | H242 | H243 | 120.0° | 120.0° |
| O6 | C25 | H251 | H252 | 120.4° | 123.0° |
| N2 | S1 | O4 | O5 | 125.7° | 123.0° |
