ILI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C4 | sing | 1.32Å | 1.39Å | Aromatic |
| N3 | C2 | doub | 1.32Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.42Å | Aromatic |
| C4 | S7 | sing | 1.76Å | 1.80Å | |
| C5 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C1 | doub | 1.39Å | 1.42Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | C12 | sing | 1.52Å | 1.60Å | |
| C13 | C14 | sing | 1.49Å | 1.57Å | |
| C13 | N19 | sing | 1.46Å | 1.47Å | |
| C13 | H13 | sing | 1.11Å | 1.10Å | |
| C15 | C14 | doub | 1.29Å | 1.52Å | |
| C15 | C16 | sing | 1.50Å | 1.53Å | |
| C15 | H15 | sing | 1.10Å | 1.08Å | |
| C20 | C22 | sing | 1.51Å | 1.55Å | |
| C20 | N19 | sing | 1.35Å | 1.37Å | |
| C20 | O21 | doub | 1.21Å | 1.25Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | N27 | sing | 1.47Å | 1.46Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | C26 | sing | 1.53Å | 1.55Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C28 | N27 | sing | 1.35Å | 1.39Å | |
| C28 | O29 | doub | 1.22Å | 1.23Å | |
| C28 | C30 | sing | 1.47Å | 1.44Å | |
| C1 | C2 | sing | 1.38Å | 1.41Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| S7 | O8 | doub | 1.42Å | 1.47Å | |
| S7 | O9 | doub | 1.42Å | 1.47Å | |
| S7 | N10 | sing | 1.66Å | 1.68Å | |
| N10 | C11 | sing | 1.46Å | 1.49Å | |
| N10 | C16 | sing | 1.46Å | 1.49Å | |
| C11 | C12 | sing | 1.52Å | 1.54Å | |
| C11 | H111 | sing | 1.10Å | 1.10Å | |
| C11 | H112 | sing | 1.08Å | 1.10Å | |
| C12 | O17 | sing | 1.43Å | 1.34Å | |
| C12 | H12 | sing | 1.10Å | 1.10Å | |
| C14 | H14 | sing | 1.10Å | 1.08Å | |
| C16 | C18 | sing | 1.53Å | 1.54Å | |
| C16 | H16 | sing | 1.11Å | 1.10Å | |
| O17 | HO17 | sing | 0.97Å | 0.95Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| N19 | HN19 | sing | 0.97Å | 1.00Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| N27 | HN27 | sing | 0.97Å | 1.00Å | |
| C30 | C31 | doub | 1.36Å | 1.37Å | Aromatic |
| C30 | O34 | sing | 1.35Å | 1.37Å | Aromatic |
| C31 | C32 | sing | 1.46Å | 1.41Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | C33 | sing | 1.41Å | 1.41Å | Aromatic |
| C32 | C35 | doub | 1.40Å | 1.43Å | Aromatic |
| C33 | O34 | sing | 1.35Å | 1.36Å | Aromatic |
| C33 | C38 | doub | 1.39Å | 1.42Å | Aromatic |
| C35 | C36 | sing | 1.37Å | 1.43Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | C37 | doub | 1.39Å | 1.43Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | C38 | sing | 1.38Å | 1.43Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | N3 | C2 | 116.9° | 121.7° |
| N3 | C4 | C5 | 123.9° | 120.8° |
| N3 | C4 | S7 | 114.0° | 119.6° |
| N3 | C2 | C1 | 123.3° | 120.8° |
| N3 | C2 | H2 | 118.3° | 119.7° |
| C5 | C4 | S7 | 122.1° | 119.6° |
| C4 | C5 | C6 | 117.2° | 119.1° |
| C4 | C5 | H5 | 121.4° | 120.4° |
| C4 | S7 | O8 | 106.4° | 105.8° |
| C4 | S7 | O9 | 105.8° | 105.8° |
| C4 | S7 | N10 | 104.0° | 107.4° |
| C6 | C5 | H5 | 121.4° | 120.4° |
| C5 | C6 | C1 | 120.5° | 118.5° |
| C5 | C6 | H6 | 119.8° | 120.8° |
| C1 | C6 | H6 | 119.8° | 120.8° |
| C6 | C1 | C2 | 118.2° | 119.1° |
| C6 | C1 | H1 | 121.0° | 120.4° |
| C12 | C13 | C14 | 125.6° | 111.4° |
| C12 | C13 | N19 | 113.6° | 111.4° |
| C12 | C13 | H13 | 91.3° | 107.4° |
| C13 | C12 | C11 | 110.5° | 111.6° |
| C13 | C12 | O17 | 109.2° | 109.5° |
| C13 | C12 | H12 | 109.3° | 109.1° |
| C14 | C13 | N19 | 101.7° | 111.6° |
| C14 | C13 | H13 | 105.7° | 107.6° |
| C13 | C14 | C15 | 123.4° | 128.8° |
| C13 | C14 | H14 | 118.3° | 115.9° |
| N19 | C13 | H13 | 120.0° | 107.0° |
| C13 | N19 | C20 | 119.8° | 120.0° |
| C13 | N19 | HN19 | 120.1° | 120.0° |
| C14 | C15 | C16 | 119.0° | 126.5° |
| C14 | C15 | H15 | 120.5° | 116.4° |
| C15 | C14 | H14 | 118.3° | 115.2° |
| C16 | C15 | H15 | 120.5° | 117.1° |
| C15 | C16 | N10 | 112.3° | 111.7° |
| C15 | C16 | C18 | 113.2° | 111.5° |
| C15 | C16 | H16 | 105.6° | 107.6° |
| C22 | C20 | N19 | 115.7° | 120.0° |
| C22 | C20 | O21 | 120.9° | 120.0° |
| C20 | C22 | C23 | 109.4° | 109.4° |
| C20 | C22 | N27 | 104.3° | 109.5° |
| C20 | C22 | H22 | 113.7° | 109.5° |
| N19 | C20 | O21 | 123.3° | 120.0° |
| C20 | N19 | HN19 | 120.1° | 120.0° |
| C23 | C22 | N27 | 111.8° | 109.5° |
| C23 | C22 | H22 | 106.4° | 109.5° |
| C22 | C23 | C24 | 114.4° | 109.5° |
| C22 | C23 | H231 | 106.8° | 109.5° |
| C22 | C23 | H232 | 107.9° | 109.5° |
| N27 | C22 | H22 | 111.3° | 109.4° |
| C22 | N27 | C28 | 122.8° | 120.0° |
| C22 | N27 | HN27 | 118.6° | 120.0° |
| C26 | C24 | C23 | 112.6° | 109.5° |
| C26 | C24 | C25 | 108.6° | 109.5° |
| C26 | C24 | H24 | 108.0° | 109.5° |
| C24 | C26 | H261 | 109.5° | 109.5° |
| C24 | C26 | H262 | 109.4° | 109.5° |
| C24 | C26 | H263 | 109.5° | 109.5° |
| C23 | C24 | C25 | 109.6° | 109.5° |
| C23 | C24 | H24 | 107.0° | 109.5° |
| C24 | C23 | H231 | 106.7° | 109.5° |
| C24 | C23 | H232 | 107.9° | 109.5° |
| C25 | C24 | H24 | 111.1° | 109.5° |
| C24 | C25 | H251 | 109.5° | 109.4° |
| C24 | C25 | H252 | 109.5° | 109.4° |
| C24 | C25 | H253 | 109.5° | 109.4° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H261 | C26 | H263 | 109.5° | 109.5° |
| H262 | C26 | H263 | 109.5° | 109.4° |
| N27 | C28 | O29 | 121.3° | 120.0° |
| N27 | C28 | C30 | 114.9° | 120.0° |
| C28 | N27 | HN27 | 118.6° | 120.0° |
| O29 | C28 | C30 | 123.9° | 119.9° |
| C28 | C30 | C31 | 133.4° | 125.2° |
| C28 | C30 | O34 | 117.0° | 125.1° |
| C2 | C1 | H1 | 120.9° | 120.4° |
| C1 | C2 | H2 | 118.4° | 119.6° |
| O8 | S7 | O9 | 118.8° | 125.4° |
| O8 | S7 | N10 | 110.4° | 105.8° |
| O9 | S7 | N10 | 110.1° | 105.8° |
| S7 | N10 | C11 | 118.6° | 118.8° |
| S7 | N10 | C16 | 118.1° | 119.1° |
| C11 | N10 | C16 | 123.0° | 122.2° |
| N10 | C11 | C12 | 117.8° | 111.5° |
| N10 | C11 | H111 | 104.8° | 108.0° |
| N10 | C11 | H112 | 106.8° | 110.7° |
| N10 | C16 | C18 | 111.7° | 111.5° |
| N10 | C16 | H16 | 107.3° | 107.1° |
| C12 | C11 | H111 | 104.8° | 108.2° |
| C12 | C11 | H112 | 106.8° | 110.7° |
| C11 | C12 | O17 | 110.5° | 109.4° |
| C11 | C12 | H12 | 108.0° | 108.8° |
| H111 | C11 | H112 | 116.3° | 107.7° |
| O17 | C12 | H12 | 109.3° | 108.4° |
| C12 | O17 | HO17 | 109.5° | 106.8° |
| C18 | C16 | H16 | 106.2° | 107.0° |
| C16 | C18 | H181 | 109.4° | 109.4° |
| C16 | C18 | H182 | 109.4° | 109.4° |
| C16 | C18 | H183 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H181 | C18 | H183 | 109.4° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.5° |
| H231 | C23 | H232 | 113.4° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H251 | C25 | H253 | 109.5° | 109.5° |
| H252 | C25 | H253 | 109.4° | 109.5° |
| C31 | C30 | O34 | 109.5° | 109.7° |
| C30 | C31 | C32 | 108.0° | 106.1° |
| C30 | C31 | H31 | 126.0° | 126.9° |
| C30 | O34 | C33 | 107.3° | 110.8° |
| C32 | C31 | H31 | 126.0° | 127.0° |
| C31 | C32 | C33 | 105.1° | 105.7° |
| C31 | C32 | C35 | 136.0° | 134.2° |
| C33 | C32 | C35 | 118.9° | 120.1° |
| C32 | C33 | O34 | 110.0° | 107.6° |
| C32 | C33 | C38 | 123.9° | 119.2° |
| C32 | C35 | C36 | 118.9° | 119.7° |
| C32 | C35 | H35 | 120.5° | 120.2° |
| O34 | C33 | C38 | 126.1° | 133.2° |
| C33 | C38 | C37 | 116.6° | 119.9° |
| C33 | C38 | H38 | 121.7° | 120.1° |
| C36 | C35 | H35 | 120.5° | 120.1° |
| C35 | C36 | C37 | 120.6° | 120.4° |
| C35 | C36 | H36 | 119.7° | 119.8° |
| C37 | C36 | H36 | 119.7° | 119.8° |
| C36 | C37 | C38 | 121.2° | 120.8° |
| C36 | C37 | H37 | 119.4° | 119.6° |
| C38 | C37 | H37 | 119.4° | 119.6° |
| C37 | C38 | H38 | 121.7° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C4 | C5 | S7 | 179.7° | 179.7° |
| N3 | C4 | C5 | C6 | 0.1° | 0.3° |
| N3 | C4 | C5 | H5 | 179.9° | 179.8° |
| C4 | N3 | C2 | C1 | 0.1° | 0.5° |
| C4 | N3 | C2 | H2 | 179.9° | 179.7° |
| N3 | C4 | S7 | O8 | 168.9° | 22.4° |
| N3 | C4 | S7 | O9 | 63.8° | 157.1° |
| N3 | C4 | S7 | N10 | 52.3° | 90.3° |
| C2 | N3 | C4 | C5 | 0.0° | 0.6° |
| C2 | N3 | C4 | S7 | 179.7° | 179.7° |
| N3 | C2 | C1 | C6 | 0.0° | 0.2° |
| N3 | C2 | C1 | H2 | 180.0° | 179.7° |
| N3 | C2 | C1 | H1 | 179.9° | 179.7° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 0.1° | 0.0° |
| C4 | C5 | C6 | H6 | 179.9° | 179.9° |
| C5 | C4 | S7 | O8 | 10.8° | 157.4° |
| C5 | C4 | S7 | O9 | 116.5° | 22.6° |
| C5 | C4 | S7 | N10 | 127.5° | 90.0° |
| S7 | C4 | C5 | C6 | 179.8° | 180.0° |
| S7 | C4 | C5 | H5 | 0.2° | 0.1° |
| C4 | S7 | O8 | O9 | 119.1° | 123.1° |
| C4 | S7 | O8 | N10 | 112.3° | 113.8° |
| C4 | S7 | O9 | N10 | 111.9° | 113.8° |
| C4 | S7 | N10 | C11 | 130.0° | 90.0° |
| C4 | S7 | N10 | C16 | 54.8° | 90.0° |
| C5 | C6 | C1 | H6 | 180.0° | 179.9° |
| C5 | C6 | C1 | C2 | 0.0° | 0.0° |
| C5 | C6 | C1 | H1 | 180.0° | 180.0° |
| H5 | C5 | C6 | C1 | 179.9° | 179.9° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
| C6 | C1 | C2 | H1 | 180.0° | 179.9° |
| C6 | C1 | C2 | H2 | 180.0° | 180.0° |
| H6 | C6 | C1 | C2 | 179.9° | 180.0° |
| H6 | C6 | C1 | H1 | 0.0° | 0.1° |
| C12 | C13 | C14 | N19 | 130.6° | 125.3° |
| C12 | C13 | C14 | H13 | 103.3° | 117.6° |
| C12 | C13 | N19 | H13 | 106.3° | 117.2° |
| C12 | C13 | C14 | C15 | 0.4° | 55.9° |
| C12 | C13 | N19 | C20 | 104.0° | 152.1° |
| C13 | C12 | C11 | N10 | 69.9° | 72.1° |
| C13 | C12 | C11 | O17 | 120.9° | 121.3° |
| C13 | C12 | C11 | H12 | 119.5° | 120.5° |
| C13 | C12 | C11 | H111 | 46.2° | 169.3° |
| C13 | C12 | C11 | H112 | 170.1° | 51.6° |
| C13 | C12 | O17 | H12 | 119.5° | 118.9° |
| C12 | C13 | C14 | H14 | 179.6° | 124.0° |
| C13 | C12 | O17 | HO17 | 122.0° | 177.5° |
| C12 | C13 | N19 | HN19 | 76.0° | 27.8° |
| C14 | C13 | N19 | H13 | 116.0° | 117.5° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 53.4° | 0.1° |
| C13 | C14 | C15 | H15 | 126.6° | 179.9° |
| C14 | C13 | N19 | C20 | 118.3° | 82.6° |
| C14 | C13 | C12 | C11 | 48.9° | 76.3° |
| C14 | C13 | C12 | O17 | 72.8° | 44.9° |
| C14 | C13 | C12 | H12 | 167.6° | 163.3° |
| C14 | C13 | N19 | HN19 | 61.7° | 97.5° |
| N19 | C13 | C14 | C15 | 131.1° | 69.4° |
| C13 | N19 | C20 | C22 | 177.5° | 179.6° |
| C13 | N19 | C20 | HN19 | 180.0° | 179.9° |
| C13 | N19 | C20 | O21 | 0.7° | 0.5° |
| N19 | C13 | C12 | C11 | 77.0° | 49.0° |
| N19 | C13 | C12 | O17 | 161.3° | 170.2° |
| N19 | C13 | C12 | H12 | 41.8° | 71.3° |
| N19 | C13 | C14 | H14 | 49.0° | 110.7° |
| H13 | C13 | C14 | C15 | 102.9° | 173.5° |
| H13 | C13 | N19 | C20 | 2.3° | 34.9° |
| H13 | C13 | C12 | C11 | 159.3° | 166.0° |
| H13 | C13 | C12 | O17 | 37.6° | 72.8° |
| H13 | C13 | C12 | H12 | 82.0° | 45.6° |
| H13 | C13 | C14 | H14 | 77.1° | 6.4° |
| H13 | C13 | N19 | HN19 | 177.7° | 145.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | N10 | 68.3° | 49.3° |
| C14 | C15 | C16 | C18 | 59.4° | 76.3° |
| C14 | C15 | C16 | H16 | 175.2° | 166.6° |
| C15 | C16 | N10 | S7 | 117.4° | 109.5° |
| C15 | C16 | N10 | C11 | 67.6° | 70.5° |
| C15 | C16 | N10 | C18 | 128.4° | 125.6° |
| C15 | C16 | N10 | H16 | 115.6° | 117.6° |
| C16 | C15 | C14 | H14 | 126.6° | 179.8° |
| C15 | C16 | C18 | H16 | 115.4° | 117.4° |
| C15 | C16 | C18 | H181 | 77.4° | 60.1° |
| C15 | C16 | C18 | H182 | 42.6° | 180.0° |
| C15 | C16 | C18 | H183 | 162.6° | 60.0° |
| H15 | C15 | C16 | N10 | 111.7° | 130.7° |
| H15 | C15 | C14 | H14 | 53.4° | 0.2° |
| H15 | C15 | C16 | C18 | 120.7° | 103.7° |
| H15 | C15 | C16 | H16 | 4.9° | 13.4° |
| C22 | C20 | N19 | O21 | 178.2° | 179.9° |
| C20 | C22 | C23 | N27 | 115.0° | 120.0° |
| C20 | C22 | C23 | H22 | 123.3° | 120.0° |
| C20 | C22 | N27 | H22 | 123.0° | 120.0° |
| C20 | C22 | C23 | C24 | 178.9° | 63.6° |
| C20 | C22 | N27 | C28 | 78.9° | 154.4° |
| C22 | C20 | N19 | HN19 | 2.5° | 0.3° |
| C20 | C22 | C23 | H231 | 63.3° | 56.4° |
| C20 | C22 | C23 | H232 | 58.9° | 176.4° |
| C20 | C22 | N27 | HN27 | 101.1° | 25.7° |
| N19 | C20 | C22 | C23 | 96.9° | 80.8° |
| N19 | C20 | C22 | N27 | 143.3° | 159.2° |
| N19 | C20 | C22 | H22 | 21.9° | 39.3° |
| O21 | C20 | C22 | C23 | 84.8° | 99.3° |
| O21 | C20 | C22 | N27 | 34.9° | 20.7° |
| O21 | C20 | C22 | H22 | 156.4° | 140.7° |
| O21 | C20 | N19 | HN19 | 179.3° | 179.6° |
| C23 | C22 | N27 | H22 | 118.9° | 120.0° |
| C22 | C23 | C24 | C26 | 60.1° | 65.9° |
| C22 | C23 | C24 | H231 | 117.8° | 120.0° |
| C22 | C23 | C24 | H232 | 120.0° | 120.0° |
| C22 | C23 | C24 | C25 | 178.9° | 174.1° |
| C22 | C23 | C24 | H24 | 58.4° | 54.1° |
| C23 | C22 | N27 | C28 | 163.0° | 85.7° |
| C22 | C23 | H231 | H232 | 118.6° | 120.0° |
| C23 | C22 | N27 | HN27 | 17.0° | 94.3° |
| N27 | C22 | C23 | C24 | 63.9° | 176.4° |
| C22 | N27 | C28 | HN27 | 180.0° | 179.9° |
| C22 | N27 | C28 | O29 | 0.3° | 5.7° |
| C22 | N27 | C28 | C30 | 177.7° | 174.4° |
| N27 | C22 | C23 | H231 | 178.3° | 63.6° |
| N27 | C22 | C23 | H232 | 56.1° | 56.4° |
| H22 | C22 | C23 | C24 | 57.9° | 56.4° |
| H22 | C22 | N27 | C28 | 44.1° | 34.4° |
| H22 | C22 | C23 | H231 | 60.0° | 176.4° |
| H22 | C22 | C23 | H232 | 177.9° | 63.6° |
| H22 | C22 | N27 | HN27 | 135.9° | 145.7° |
| C26 | C24 | C23 | C25 | 121.0° | 120.0° |
| C26 | C24 | C23 | H24 | 118.5° | 120.0° |
| C26 | C24 | C25 | H24 | 118.6° | 120.0° |
| C24 | C26 | H261 | H262 | 120.0° | 120.0° |
| C24 | C26 | H261 | H263 | 120.0° | 120.0° |
| C24 | C26 | H262 | H263 | 120.0° | 120.0° |
| C26 | C24 | C23 | H231 | 57.8° | 174.1° |
| C26 | C24 | C23 | H232 | 179.9° | 54.1° |
| C26 | C24 | C25 | H251 | 10.7° | 60.0° |
| C26 | C24 | C25 | H252 | 109.3° | 180.0° |
| C26 | C24 | C25 | H253 | 130.7° | 60.0° |
| C23 | C24 | C25 | H24 | 118.0° | 120.0° |
| C23 | C24 | C26 | H261 | 178.0° | 65.9° |
| C23 | C24 | C26 | H262 | 62.0° | 54.1° |
| C23 | C24 | C26 | H263 | 58.0° | 174.0° |
| C24 | C23 | H231 | H232 | 118.7° | 120.0° |
| C23 | C24 | C25 | H251 | 134.1° | 60.0° |
| C23 | C24 | C25 | H252 | 14.1° | 60.0° |
| C23 | C24 | C25 | H253 | 105.9° | 180.0° |
| C25 | C24 | C26 | H261 | 56.5° | 174.1° |
| C25 | C24 | C26 | H262 | 176.5° | 65.9° |
| C25 | C24 | C26 | H263 | 63.5° | 54.0° |
| C25 | C24 | C23 | H231 | 63.2° | 54.1° |
| C25 | C24 | C23 | H232 | 58.9° | 65.9° |
| C24 | C25 | H251 | H252 | 120.0° | 119.9° |
| C24 | C25 | H251 | H253 | 120.0° | 120.0° |
| C24 | C25 | H252 | H253 | 120.0° | 120.0° |
| H24 | C24 | C26 | H261 | 64.1° | 54.0° |
| H24 | C24 | C26 | H262 | 55.9° | 174.1° |
| H24 | C24 | C26 | H263 | 175.9° | 66.0° |
| H24 | C24 | C23 | H231 | 176.2° | 66.0° |
| H24 | C24 | C23 | H232 | 61.6° | 174.1° |
| H24 | C24 | C25 | H251 | 108.0° | 180.0° |
| H24 | C24 | C25 | H252 | 132.0° | 60.0° |
| H24 | C24 | C25 | H253 | 12.1° | 60.0° |
| H261 | C26 | H262 | H263 | 120.0° | 120.0° |
| N27 | C28 | O29 | C30 | 177.9° | 179.9° |
| N27 | C28 | C30 | C31 | 37.5° | 179.7° |
| N27 | C28 | C30 | O34 | 141.4° | 0.1° |
| O29 | C28 | N27 | HN27 | 179.6° | 174.4° |
| O29 | C28 | C30 | C31 | 144.5° | 0.3° |
| O29 | C28 | C30 | O34 | 36.6° | 180.0° |
| C30 | C28 | N27 | HN27 | 2.3° | 5.6° |
| C28 | C30 | C31 | O34 | 179.0° | 179.7° |
| C28 | C30 | C31 | C32 | 178.8° | 179.9° |
| C28 | C30 | C31 | H31 | 1.2° | 0.1° |
| C28 | C30 | O34 | C33 | 179.2° | 180.0° |
| H1 | C1 | C2 | H2 | 0.1° | 0.0° |
| O8 | S7 | O9 | N10 | 128.7° | 123.1° |
| O8 | S7 | N10 | C11 | 116.1° | 157.4° |
| O8 | S7 | N10 | C16 | 59.1° | 22.6° |
| O9 | S7 | N10 | C11 | 17.0° | 22.6° |
| O9 | S7 | N10 | C16 | 167.8° | 157.4° |
| S7 | N10 | C11 | C16 | 174.9° | 180.0° |
| S7 | N10 | C11 | C12 | 110.4° | 107.6° |
| S7 | N10 | C11 | H111 | 133.5° | 11.1° |
| S7 | N10 | C11 | H112 | 9.6° | 128.8° |
| S7 | N10 | C16 | C18 | 114.2° | 124.9° |
| S7 | N10 | C16 | H16 | 1.9° | 8.1° |
| N10 | C11 | C12 | H111 | 116.1° | 118.6° |
| N10 | C11 | C12 | H112 | 120.0° | 123.7° |
| N10 | C11 | H111 | H112 | 117.6° | 119.6° |
| N10 | C11 | C12 | O17 | 51.1° | 49.2° |
| N10 | C11 | C12 | H12 | 170.6° | 167.4° |
| C11 | N10 | C16 | C18 | 60.8° | 55.1° |
| C11 | N10 | C16 | H16 | 176.8° | 171.9° |
| C16 | N10 | C11 | C12 | 74.6° | 72.4° |
| C16 | N10 | C11 | H111 | 41.4° | 168.9° |
| C16 | N10 | C11 | H112 | 165.4° | 51.2° |
| N10 | C16 | C18 | H16 | 116.6° | 116.9° |
| N10 | C16 | C18 | H181 | 50.5° | 65.6° |
| N10 | C16 | C18 | H182 | 170.5° | 54.3° |
| N10 | C16 | C18 | H183 | 69.5° | 174.3° |
| C12 | C11 | H111 | H112 | 117.6° | 119.7° |
| C11 | C12 | O17 | H12 | 118.7° | 118.5° |
| C11 | C12 | O17 | HO17 | 0.3° | 59.9° |
| H111 | C11 | C12 | O17 | 167.1° | 69.4° |
| H111 | C11 | C12 | H12 | 73.3° | 48.8° |
| H112 | C11 | C12 | O17 | 68.9° | 172.9° |
| H112 | C11 | C12 | H12 | 50.6° | 68.9° |
| H12 | C12 | O17 | HO17 | 118.4° | 58.6° |
| C16 | C18 | H181 | H182 | 120.0° | 120.0° |
| C16 | C18 | H181 | H183 | 120.0° | 120.0° |
| C16 | C18 | H182 | H183 | 120.0° | 120.0° |
| H16 | C16 | C18 | H181 | 167.1° | 177.5° |
| H16 | C16 | C18 | H182 | 72.8° | 62.5° |
| H16 | C16 | C18 | H183 | 47.2° | 57.5° |
| H181 | C18 | H182 | H183 | 120.0° | 120.0° |
| H251 | C25 | H252 | H253 | 120.0° | 120.1° |
| C30 | C31 | C32 | H31 | 180.0° | 179.8° |
| C30 | C31 | C32 | C33 | 0.2° | 0.4° |
| C30 | C31 | C32 | C35 | 179.8° | 179.9° |
| C31 | C30 | O34 | C33 | 0.0° | 0.3° |
| O34 | C30 | C31 | C32 | 0.2° | 0.4° |
| O34 | C30 | C31 | H31 | 179.8° | 179.8° |
| C30 | O34 | C33 | C32 | 0.1° | 0.0° |
| C30 | O34 | C33 | C38 | 179.9° | 180.0° |
| C31 | C32 | C33 | C35 | 180.0° | 179.7° |
| C31 | C32 | C33 | O34 | 0.2° | 0.3° |
| C31 | C32 | C33 | C38 | 180.0° | 179.7° |
| C31 | C32 | C35 | C36 | 180.0° | 179.7° |
| C31 | C32 | C35 | H35 | 0.0° | 0.4° |
| H31 | C31 | C32 | C33 | 179.8° | 179.8° |
| H31 | C31 | C32 | C35 | 0.2° | 0.1° |
| C32 | C33 | O34 | C38 | 179.8° | 180.0° |
| C33 | C32 | C35 | C36 | 0.0° | 0.1° |
| C33 | C32 | C35 | H35 | 180.0° | 180.0° |
| C32 | C33 | C38 | C37 | 0.0° | 0.0° |
| C32 | C33 | C38 | H38 | 180.0° | 180.0° |
| C35 | C32 | C33 | O34 | 179.8° | 180.0° |
| C35 | C32 | C33 | C38 | 0.0° | 0.0° |
| C32 | C35 | C36 | H35 | 180.0° | 179.9° |
| C32 | C35 | C36 | C37 | 0.0° | 0.1° |
| C32 | C35 | C36 | H36 | 180.0° | 180.0° |
| O34 | C33 | C38 | C37 | 179.8° | 180.0° |
| O34 | C33 | C38 | H38 | 0.2° | 0.0° |
| C33 | C38 | C37 | C36 | 0.0° | 0.0° |
| C33 | C38 | C37 | H38 | 180.0° | 179.9° |
| C33 | C38 | C37 | H37 | 180.0° | 180.0° |
| C35 | C36 | C37 | H36 | 180.0° | 179.9° |
| C35 | C36 | C37 | C38 | 0.0° | 0.0° |
| C35 | C36 | C37 | H37 | 180.0° | 180.0° |
| H35 | C35 | C36 | C37 | 180.0° | 180.0° |
| H35 | C35 | C36 | H36 | 0.0° | 0.1° |
| C36 | C37 | C38 | H37 | 180.0° | 180.0° |
| C36 | C37 | C38 | H38 | 180.0° | 179.9° |
| H36 | C36 | C37 | C38 | 180.0° | 180.0° |
| H36 | C36 | C37 | H37 | 0.0° | 0.0° |
| H37 | C37 | C38 | H38 | 0.0° | 0.1° |
