KDI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.47Å | 1.47Å | |
| N2 | C3 | sing | 1.47Å | 1.47Å | |
| N2 | C4 | sing | 1.47Å | 1.47Å | |
| C3 | C6 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | N6 | sing | 1.47Å | 1.49Å | |
| N6 | S7 | sing | 1.66Å | 1.67Å | |
| N6 | C6 | sing | 1.47Å | 1.49Å | |
| S7 | O8 | doub | 1.42Å | 1.43Å | |
| S7 | O9 | doub | 1.42Å | 1.42Å | |
| S7 | C10 | sing | 1.76Å | 1.78Å | |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | C16 | sing | 1.48Å | 1.49Å | |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.41Å | Aromatic |
| C16 | N21 | doub | 1.33Å | 1.34Å | Aromatic |
| C17 | N18 | doub | 1.32Å | 1.33Å | Aromatic |
| N18 | C19 | sing | 1.33Å | 1.35Å | Aromatic |
| C19 | C20 | doub | 1.40Å | 1.41Å | Aromatic |
| C19 | N31 | sing | 1.38Å | 1.38Å | |
| C20 | N21 | sing | 1.33Å | 1.35Å | Aromatic |
| C20 | C22 | sing | 1.48Å | 1.49Å | |
| C22 | O23 | doub | 1.22Å | 1.22Å | |
| C22 | N24 | sing | 1.35Å | 1.35Å | |
| N24 | C25 | sing | 1.47Å | 1.47Å | |
| C25 | C30 | sing | 1.53Å | 1.54Å | |
| C27 | O29 | sing | 1.43Å | 1.44Å | |
| C30 | C28 | sing | 1.53Å | 1.54Å | |
| C28 | O29 | sing | 1.43Å | 1.44Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H13C | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| N31 | H311 | sing | 0.97Å | 1.00Å | |
| N31 | H312 | sing | 0.97Å | 1.00Å | |
| N24 | H24 | sing | 0.97Å | 1.00Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N2 | C3 | 111.0° | 111.0° |
| C1 | N2 | C4 | 111.4° | 111.0° |
| N2 | C1 | H11C | 109.5° | 109.5° |
| N2 | C1 | H12C | 109.4° | 109.5° |
| N2 | C1 | H13C | 109.5° | 109.5° |
| C3 | N2 | C4 | 111.3° | 111.3° |
| N2 | C3 | C6 | 111.1° | 109.3° |
| N2 | C3 | H31C | 109.1° | 109.5° |
| N2 | C3 | H32C | 109.1° | 109.5° |
| N2 | C4 | C5 | 108.1° | 109.3° |
| N2 | C4 | H41C | 109.8° | 109.5° |
| N2 | C4 | H42C | 109.8° | 109.5° |
| C3 | C6 | N6 | 113.2° | 108.5° |
| C6 | C3 | H31C | 109.0° | 109.5° |
| C6 | C3 | H32C | 109.1° | 109.5° |
| C3 | C6 | H61C | 108.5° | 109.6° |
| C3 | C6 | H62C | 108.5° | 109.6° |
| C4 | C5 | N6 | 112.1° | 108.5° |
| C5 | C4 | H41C | 109.8° | 109.5° |
| C5 | C4 | H42C | 109.8° | 109.5° |
| C4 | C5 | H51C | 108.8° | 109.6° |
| C4 | C5 | H52C | 108.8° | 109.6° |
| C5 | N6 | S7 | 118.8° | 120.9° |
| C5 | N6 | C6 | 121.5° | 118.2° |
| N6 | C5 | H51C | 108.8° | 109.7° |
| N6 | C5 | H52C | 108.8° | 109.7° |
| S7 | N6 | C6 | 119.7° | 120.9° |
| N6 | S7 | O8 | 108.0° | 106.4° |
| N6 | S7 | O9 | 107.5° | 106.4° |
| N6 | S7 | C10 | 104.3° | 107.3° |
| N6 | C6 | H61C | 108.5° | 109.7° |
| N6 | C6 | H62C | 108.5° | 109.6° |
| O8 | S7 | O9 | 122.6° | 123.1° |
| O8 | S7 | C10 | 104.9° | 106.4° |
| O9 | S7 | C10 | 108.1° | 106.4° |
| S7 | C10 | C11 | 121.5° | 119.9° |
| S7 | C10 | C15 | 118.8° | 119.8° |
| C11 | C10 | C15 | 119.6° | 120.3° |
| C10 | C11 | C12 | 120.8° | 120.1° |
| C10 | C11 | H11 | 119.6° | 119.9° |
| C10 | C15 | C14 | 120.0° | 120.1° |
| C10 | C15 | H15 | 120.0° | 119.9° |
| C11 | C12 | C13 | 119.0° | 119.9° |
| C12 | C11 | H11 | 119.6° | 120.0° |
| C11 | C12 | H12 | 120.5° | 120.0° |
| C12 | C13 | C14 | 119.8° | 119.8° |
| C12 | C13 | C16 | 122.2° | 120.1° |
| C13 | C12 | H12 | 120.5° | 120.1° |
| C14 | C13 | C16 | 117.9° | 120.1° |
| C13 | C14 | C15 | 120.7° | 119.9° |
| C13 | C14 | H14 | 119.7° | 120.1° |
| C13 | C16 | C17 | 119.5° | 119.9° |
| C13 | C16 | N21 | 120.8° | 120.0° |
| C14 | C15 | H15 | 120.0° | 120.0° |
| C15 | C14 | H14 | 119.7° | 120.0° |
| C17 | C16 | N21 | 119.4° | 120.1° |
| C16 | C17 | N18 | 119.4° | 120.2° |
| C16 | C17 | H17 | 120.3° | 119.9° |
| C16 | N21 | C20 | 122.1° | 119.9° |
| C17 | N18 | C19 | 120.7° | 120.1° |
| N18 | C17 | H17 | 120.3° | 119.9° |
| N18 | C19 | C20 | 121.1° | 119.9° |
| N18 | C19 | N31 | 117.8° | 120.1° |
| C20 | C19 | N31 | 121.1° | 120.1° |
| C19 | C20 | N21 | 117.2° | 119.8° |
| C19 | C20 | C22 | 122.4° | 120.1° |
| C19 | N31 | H311 | 109.5° | 120.0° |
| C19 | N31 | H312 | 109.4° | 120.0° |
| N21 | C20 | C22 | 120.4° | 120.1° |
| C20 | C22 | O23 | 122.0° | 120.0° |
| C20 | C22 | N24 | 115.9° | 120.0° |
| O23 | C22 | N24 | 122.1° | 120.0° |
| C22 | N24 | C25 | 127.7° | 120.0° |
| C22 | N24 | H24 | 116.2° | 120.0° |
| N24 | C25 | C30 | 108.9° | 109.5° |
| C25 | N24 | H24 | 116.2° | 120.0° |
| N24 | C25 | H251 | 109.6° | 109.4° |
| N24 | C25 | H252 | 109.6° | 109.5° |
| C25 | C30 | C28 | 113.9° | 109.4° |
| C30 | C25 | H251 | 109.6° | 109.5° |
| C30 | C25 | H252 | 109.6° | 109.5° |
| C25 | C30 | H301 | 108.3° | 109.4° |
| C25 | C30 | H302 | 108.3° | 109.5° |
| C27 | O29 | C28 | 117.5° | 114.0° |
| O29 | C27 | H271 | 109.5° | 109.4° |
| O29 | C27 | H272 | 109.5° | 109.4° |
| O29 | C27 | H273 | 109.4° | 109.5° |
| C30 | C28 | O29 | 109.7° | 109.5° |
| C28 | C30 | H301 | 108.4° | 109.5° |
| C28 | C30 | H302 | 108.3° | 109.5° |
| C30 | C28 | H281 | 109.4° | 109.5° |
| C30 | C28 | H282 | 109.4° | 109.4° |
| O29 | C28 | H281 | 109.4° | 109.5° |
| O29 | C28 | H282 | 109.4° | 109.4° |
| H11C | C1 | H12C | 109.5° | 109.5° |
| H11C | C1 | H13C | 109.4° | 109.4° |
| H12C | C1 | H13C | 109.5° | 109.4° |
| H31C | C3 | H32C | 109.5° | 109.5° |
| H41C | C4 | H42C | 109.4° | 109.5° |
| H61C | C6 | H62C | 109.5° | 109.8° |
| H51C | C5 | H52C | 109.5° | 109.7° |
| H311 | N31 | H312 | 109.5° | 120.0° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.4° | 109.4° |
| H271 | C27 | H273 | 109.5° | 109.5° |
| H272 | C27 | H273 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N2 | C3 | C4 | 124.7° | 124.2° |
| C1 | N2 | C3 | C6 | 172.6° | 172.7° |
| C1 | N2 | C4 | C5 | 167.3° | 172.7° |
| N2 | C1 | H11C | H12C | 120.0° | 120.0° |
| N2 | C1 | H11C | H13C | 120.0° | 120.0° |
| N2 | C1 | H12C | H13C | 120.0° | 120.1° |
| C1 | N2 | C3 | H31C | 67.2° | 67.3° |
| C1 | N2 | C3 | H32C | 52.3° | 52.8° |
| C1 | N2 | C4 | H41C | 47.5° | 52.8° |
| C1 | N2 | C4 | H42C | 72.9° | 67.3° |
| N2 | C3 | C6 | H31C | 120.3° | 119.9° |
| N2 | C3 | C6 | H32C | 120.3° | 119.9° |
| C3 | N2 | C4 | C5 | 68.2° | 63.1° |
| N2 | C3 | C6 | N6 | 38.9° | 53.8° |
| C3 | N2 | C1 | H11C | 180.0° | 60.0° |
| C3 | N2 | C1 | H12C | 60.0° | 180.0° |
| C3 | N2 | C1 | H13C | 60.0° | 60.0° |
| N2 | C3 | H31C | H32C | 119.2° | 120.1° |
| C3 | N2 | C4 | H41C | 172.0° | 177.0° |
| C3 | N2 | C4 | H42C | 51.6° | 56.8° |
| N2 | C3 | C6 | H61C | 159.5° | 173.6° |
| N2 | C3 | C6 | H62C | 81.6° | 65.9° |
| C4 | N2 | C3 | C6 | 62.7° | 63.1° |
| N2 | C4 | C5 | H41C | 119.8° | 119.9° |
| N2 | C4 | C5 | H42C | 119.8° | 119.9° |
| N2 | C4 | C5 | N6 | 50.1° | 53.9° |
| C4 | N2 | C1 | H11C | 55.3° | 64.3° |
| C4 | N2 | C1 | H12C | 175.4° | 55.7° |
| C4 | N2 | C1 | H13C | 64.6° | 175.7° |
| C4 | N2 | C3 | H31C | 57.5° | 56.8° |
| C4 | N2 | C3 | H32C | 177.0° | 176.9° |
| N2 | C4 | H41C | H42C | 120.7° | 120.1° |
| N2 | C4 | C5 | H51C | 70.3° | 65.9° |
| N2 | C4 | C5 | H52C | 170.5° | 173.6° |
| C3 | C6 | N6 | C5 | 25.8° | 51.2° |
| C3 | C6 | N6 | S7 | 153.9° | 128.8° |
| C3 | C6 | N6 | H61C | 120.5° | 119.7° |
| C3 | C6 | N6 | H62C | 120.6° | 119.7° |
| C6 | C3 | H31C | H32C | 119.2° | 120.1° |
| C3 | C6 | H61C | H62C | 118.3° | 120.4° |
| C4 | C5 | N6 | H51C | 120.4° | 119.7° |
| C4 | C5 | N6 | H52C | 120.4° | 119.7° |
| C4 | C5 | N6 | S7 | 147.9° | 128.8° |
| C4 | C5 | N6 | C6 | 31.7° | 51.2° |
| C5 | C4 | H41C | H42C | 120.6° | 120.1° |
| C4 | C5 | H51C | H52C | 118.8° | 120.4° |
| C5 | N6 | S7 | C6 | 179.6° | 180.0° |
| C5 | N6 | S7 | O8 | 17.1° | 156.4° |
| C5 | N6 | S7 | O9 | 151.2° | 23.6° |
| C5 | N6 | S7 | C10 | 94.1° | 90.0° |
| N6 | C5 | C4 | H41C | 169.9° | 173.8° |
| N6 | C5 | C4 | H42C | 69.7° | 66.1° |
| C5 | N6 | C6 | H61C | 146.3° | 170.9° |
| C5 | N6 | C6 | H62C | 94.8° | 68.5° |
| N6 | C5 | H51C | H52C | 118.8° | 120.5° |
| N6 | S7 | O8 | O9 | 125.6° | 122.9° |
| N6 | S7 | O8 | C10 | 110.8° | 114.1° |
| N6 | S7 | O9 | C10 | 112.0° | 114.1° |
| N6 | S7 | C10 | C11 | 76.2° | 90.0° |
| N6 | S7 | C10 | C15 | 100.5° | 90.2° |
| S7 | N6 | C6 | H61C | 33.3° | 9.1° |
| S7 | N6 | C6 | H62C | 85.6° | 111.5° |
| S7 | N6 | C5 | H51C | 91.7° | 111.5° |
| S7 | N6 | C5 | H52C | 27.6° | 9.1° |
| C6 | N6 | S7 | O8 | 163.2° | 23.6° |
| C6 | N6 | S7 | O9 | 29.1° | 156.4° |
| C6 | N6 | S7 | C10 | 85.5° | 90.0° |
| N6 | C6 | C3 | H31C | 81.3° | 66.1° |
| N6 | C6 | C3 | H32C | 159.2° | 173.8° |
| N6 | C6 | H61C | H62C | 118.3° | 120.5° |
| C6 | N6 | C5 | H51C | 88.7° | 68.5° |
| C6 | N6 | C5 | H52C | 152.1° | 170.9° |
| O8 | S7 | O9 | C10 | 122.1° | 122.9° |
| O8 | S7 | C10 | C11 | 170.3° | 23.6° |
| O8 | S7 | C10 | C15 | 13.0° | 156.2° |
| O9 | S7 | C10 | C11 | 38.0° | 156.5° |
| O9 | S7 | C10 | C15 | 145.4° | 23.3° |
| S7 | C10 | C11 | C15 | 176.6° | 179.8° |
| S7 | C10 | C11 | C12 | 177.9° | 180.0° |
| S7 | C10 | C15 | C14 | 178.3° | 179.8° |
| S7 | C10 | C11 | H11 | 2.1° | 0.0° |
| S7 | C10 | C15 | H15 | 1.6° | 0.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 2.0° | 0.0° |
| C11 | C10 | C15 | C14 | 1.6° | 0.4° |
| C11 | C10 | C15 | H15 | 178.4° | 179.8° |
| C10 | C11 | C12 | H12 | 178.0° | 179.9° |
| C15 | C10 | C11 | C12 | 1.3° | 0.2° |
| C10 | C15 | C14 | C13 | 2.7° | 0.4° |
| C10 | C15 | C14 | H15 | 180.0° | 179.8° |
| C15 | C10 | C11 | H11 | 178.7° | 179.8° |
| C10 | C15 | C14 | H14 | 177.4° | 179.7° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 3.0° | 0.0° |
| C11 | C12 | C13 | C16 | 179.3° | 180.0° |
| C12 | C13 | C14 | C16 | 176.4° | 180.0° |
| C12 | C13 | C14 | C15 | 3.4° | 0.2° |
| C12 | C13 | C16 | C17 | 123.9° | 5.0° |
| C12 | C13 | C16 | N21 | 61.8° | 175.3° |
| C13 | C12 | C11 | H11 | 178.0° | 180.0° |
| C12 | C13 | C14 | H14 | 176.7° | 179.9° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C14 | C13 | C16 | C17 | 59.8° | 175.0° |
| C14 | C13 | C16 | N21 | 114.6° | 4.8° |
| C13 | C14 | C15 | H15 | 177.3° | 179.8° |
| C14 | C13 | C12 | H12 | 177.0° | 179.9° |
| C16 | C13 | C14 | C15 | 179.8° | 179.8° |
| C13 | C16 | C17 | N21 | 174.4° | 179.7° |
| C13 | C16 | C17 | N18 | 177.2° | 180.0° |
| C13 | C16 | N21 | C20 | 177.5° | 179.8° |
| C16 | C13 | C12 | H12 | 0.7° | 0.0° |
| C16 | C13 | C14 | H14 | 0.2° | 0.1° |
| C13 | C16 | C17 | H17 | 2.8° | 0.1° |
| C16 | C17 | N18 | H17 | 180.0° | 179.9° |
| C16 | C17 | N18 | C19 | 1.4° | 0.1° |
| C17 | C16 | N21 | C20 | 3.2° | 0.5° |
| N21 | C16 | C17 | N18 | 2.7° | 0.3° |
| C16 | N21 | C20 | C19 | 2.2° | 0.5° |
| C16 | N21 | C20 | C22 | 177.8° | 179.7° |
| N21 | C16 | C17 | H17 | 177.3° | 179.8° |
| C17 | N18 | C19 | C20 | 0.4° | 0.0° |
| C17 | N18 | C19 | N31 | 179.8° | 180.0° |
| N18 | C19 | C20 | N31 | 179.4° | 179.9° |
| N18 | C19 | C20 | N21 | 0.7° | 0.2° |
| N18 | C19 | C20 | C22 | 179.2° | 180.0° |
| C19 | N18 | C17 | H17 | 178.6° | 180.0° |
| N18 | C19 | N31 | H311 | 0.0° | 5.4° |
| N18 | C19 | N31 | H312 | 120.0° | 174.7° |
| C19 | C20 | N21 | C22 | 180.0° | 179.8° |
| C19 | C20 | C22 | O23 | 30.9° | 5.6° |
| C19 | C20 | C22 | N24 | 147.6° | 174.4° |
| C20 | C19 | N31 | H311 | 179.4° | 174.5° |
| C20 | C19 | N31 | H312 | 59.4° | 5.4° |
| N31 | C19 | C20 | N21 | 179.9° | 179.8° |
| N31 | C19 | C20 | C22 | 0.2° | 0.0° |
| C19 | N31 | H311 | H312 | 120.0° | 179.9° |
| N21 | C20 | C22 | O23 | 149.2° | 174.2° |
| N21 | C20 | C22 | N24 | 32.4° | 5.8° |
| C20 | C22 | O23 | N24 | 178.3° | 180.0° |
| C20 | C22 | N24 | C25 | 177.4° | 180.0° |
| C20 | C22 | N24 | H24 | 2.6° | 0.0° |
| O23 | C22 | N24 | C25 | 4.1° | 0.0° |
| O23 | C22 | N24 | H24 | 175.8° | 180.0° |
| C22 | N24 | C25 | H24 | 180.0° | 179.9° |
| C22 | N24 | C25 | C30 | 121.6° | 180.0° |
| C22 | N24 | C25 | H251 | 1.7° | 60.0° |
| C22 | N24 | C25 | H252 | 118.5° | 60.0° |
| N24 | C25 | C30 | H251 | 119.9° | 119.9° |
| N24 | C25 | C30 | H252 | 119.9° | 120.0° |
| N24 | C25 | C30 | C28 | 36.9° | 180.0° |
| N24 | C25 | H251 | H252 | 120.3° | 120.0° |
| N24 | C25 | C30 | H301 | 83.8° | 60.0° |
| N24 | C25 | C30 | H302 | 157.6° | 60.0° |
| C25 | C30 | C28 | H301 | 120.6° | 119.9° |
| C25 | C30 | C28 | H302 | 120.7° | 120.0° |
| C25 | C30 | C28 | O29 | 123.6° | 180.0° |
| C30 | C25 | N24 | H24 | 58.4° | 0.1° |
| C30 | C25 | H251 | H252 | 120.2° | 120.1° |
| C25 | C30 | H301 | H302 | 118.0° | 120.0° |
| C25 | C30 | C28 | H281 | 116.4° | 60.0° |
| C25 | C30 | C28 | H282 | 3.5° | 60.0° |
| C27 | O29 | C28 | C30 | 120.1° | 180.0° |
| O29 | C27 | H271 | H272 | 120.0° | 119.9° |
| O29 | C27 | H271 | H273 | 120.0° | 120.0° |
| O29 | C27 | H272 | H273 | 120.0° | 120.0° |
| C27 | O29 | C28 | H281 | 119.9° | 60.0° |
| C27 | O29 | C28 | H282 | 0.0° | 60.0° |
| C30 | C28 | O29 | H281 | 120.1° | 120.0° |
| C30 | C28 | O29 | H282 | 120.0° | 119.9° |
| C28 | C30 | C25 | H251 | 156.8° | 60.0° |
| C28 | C30 | C25 | H252 | 83.0° | 60.0° |
| C28 | C30 | H301 | H302 | 118.0° | 120.1° |
| C30 | C28 | H281 | H282 | 119.9° | 120.0° |
| O29 | C28 | C30 | H301 | 2.9° | 60.0° |
| O29 | C28 | C30 | H302 | 115.8° | 60.1° |
| C28 | O29 | C27 | H271 | 180.0° | 179.9° |
| C28 | O29 | C27 | H272 | 60.0° | 60.0° |
| C28 | O29 | C27 | H273 | 60.0° | 60.0° |
| O29 | C28 | H281 | H282 | 119.8° | 120.0° |
| H11C | C1 | H12C | H13C | 120.0° | 119.9° |
| H31C | C3 | C6 | H61C | 39.2° | 53.6° |
| H31C | C3 | C6 | H62C | 158.1° | 174.2° |
| H32C | C3 | C6 | H61C | 80.3° | 66.5° |
| H32C | C3 | C6 | H62C | 38.6° | 54.0° |
| H41C | C4 | C5 | H51C | 49.5° | 54.0° |
| H41C | C4 | C5 | H52C | 69.7° | 66.5° |
| H42C | C4 | C5 | H51C | 169.9° | 174.1° |
| H42C | C4 | C5 | H52C | 50.6° | 53.6° |
| H11 | C11 | C12 | H12 | 2.0° | 0.1° |
| H15 | C15 | C14 | H14 | 2.7° | 0.1° |
| H24 | N24 | C25 | H251 | 178.3° | 120.0° |
| H24 | N24 | C25 | H252 | 61.5° | 120.0° |
| H251 | C25 | C30 | H301 | 36.1° | 180.0° |
| H251 | C25 | C30 | H302 | 82.5° | 60.0° |
| H252 | C25 | C30 | H301 | 156.3° | 60.0° |
| H252 | C25 | C30 | H302 | 37.6° | 180.0° |
| H301 | C30 | C28 | H281 | 123.0° | 180.0° |
| H301 | C30 | C28 | H282 | 117.1° | 59.9° |
| H302 | C30 | C28 | H281 | 4.3° | 60.0° |
| H302 | C30 | C28 | H282 | 124.2° | 180.0° |
| H271 | C27 | H272 | H273 | 120.0° | 120.0° |
