KTO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O49 | C2 | sing | 1.43Å | 1.45Å | |
| N21 | C22 | sing | 1.47Å | 1.47Å | |
| C2 | N3 | sing | 1.46Å | 1.48Å | |
| C2 | C1 | sing | 1.54Å | 1.55Å | |
| N3 | C4 | sing | 1.40Å | 1.36Å | |
| C24 | C22 | sing | 1.51Å | 1.50Å | |
| C24 | O25 | doub | 1.21Å | 1.22Å | |
| C23 | C22 | sing | 1.53Å | 1.55Å | |
| C23 | C1 | sing | 1.53Å | 1.52Å | |
| C4 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.46Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.41Å | Aromatic |
| C1 | C5 | sing | 1.51Å | 1.50Å | |
| C1 | O19 | sing | 1.43Å | 1.44Å | |
| C5 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| O19 | N18 | sing | 1.46Å | 1.35Å | |
| N18 | C13 | sing | 1.46Å | 1.48Å | |
| N18 | C14 | sing | 1.47Å | 1.48Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C11 | sing | 1.53Å | 1.53Å | |
| C14 | C10 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C12 | C16 | sing | 1.53Å | 1.53Å | |
| C10 | C16 | sing | 1.52Å | 1.54Å | |
| C11 | C17 | sing | 1.51Å | 1.53Å | |
| C15 | C17 | sing | 1.52Å | 1.52Å | |
| C17 | O20 | doub | 1.21Å | 1.23Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| N21 | H16 | sing | 1.01Å | 1.00Å | |
| N21 | H17 | sing | 1.01Å | 1.00Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| O49 | H23 | sing | 0.97Å | 0.95Å | |
| N3 | H24 | sing | 0.97Å | 1.00Å | |
| C6 | H25 | sing | 1.08Å | 1.08Å | |
| C7 | H26 | sing | 1.08Å | 1.08Å | |
| C8 | H27 | sing | 1.08Å | 1.08Å | |
| C9 | H18 | sing | 1.08Å | 1.08Å | |
| C24 | OXT | sing | 1.34Å | 22.37Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O49 | C2 | N3 | 114.6° | 110.3° |
| O49 | C2 | C1 | 108.2° | 110.3° |
| O49 | C2 | H22 | 109.9° | 110.3° |
| C2 | O49 | H23 | 109.5° | 114.0° |
| N21 | C22 | C24 | 109.2° | 109.5° |
| N21 | C22 | C23 | 114.8° | 109.5° |
| N21 | C22 | H15 | 108.2° | 109.5° |
| C22 | N21 | H16 | 109.5° | 111.0° |
| C22 | N21 | H17 | 109.5° | 111.0° |
| N3 | C2 | C1 | 105.8° | 105.2° |
| C2 | N3 | C4 | 109.3° | 110.1° |
| N3 | C2 | H22 | 109.5° | 110.3° |
| C2 | N3 | H24 | 109.5° | 125.0° |
| C2 | C1 | C23 | 113.6° | 110.5° |
| C2 | C1 | C5 | 102.1° | 104.5° |
| C2 | C1 | O19 | 111.7° | 110.4° |
| C1 | C2 | H22 | 108.6° | 110.3° |
| N3 | C4 | C6 | 130.7° | 129.3° |
| N3 | C4 | C5 | 110.2° | 111.6° |
| C4 | N3 | H24 | 109.5° | 124.9° |
| C22 | C24 | O25 | 114.2° | 120.0° |
| C24 | C22 | C23 | 109.1° | 109.5° |
| C24 | C22 | H15 | 107.9° | 109.5° |
| C22 | C24 | OXT | 153.6° | 120.0° |
| O25 | C24 | OXT | 92.2° | 120.1° |
| C22 | C23 | C1 | 112.1° | 109.5° |
| C22 | C23 | H13 | 108.8° | 109.5° |
| C22 | C23 | H14 | 108.8° | 109.4° |
| C23 | C22 | H15 | 107.3° | 109.5° |
| C23 | C1 | C5 | 116.1° | 110.4° |
| C23 | C1 | O19 | 109.8° | 110.4° |
| C1 | C23 | H13 | 108.8° | 109.5° |
| C1 | C23 | H14 | 108.8° | 109.5° |
| C6 | C4 | C5 | 119.1° | 119.1° |
| C4 | C6 | C7 | 117.7° | 120.3° |
| C4 | C6 | H25 | 121.2° | 119.9° |
| C4 | C5 | C1 | 108.8° | 108.6° |
| C4 | C5 | C9 | 122.3° | 120.5° |
| C6 | C7 | C8 | 122.5° | 120.2° |
| C7 | C6 | H25 | 121.1° | 119.8° |
| C6 | C7 | H26 | 118.7° | 119.9° |
| C5 | C1 | O19 | 103.0° | 110.4° |
| C1 | C5 | C9 | 128.8° | 131.0° |
| C1 | O19 | N18 | 117.7° | 114.0° |
| C5 | C9 | C8 | 118.0° | 120.2° |
| C5 | C9 | H18 | 121.0° | 119.9° |
| C7 | C8 | C9 | 120.4° | 119.8° |
| C8 | C7 | H26 | 118.8° | 119.9° |
| C7 | C8 | H27 | 119.8° | 120.1° |
| C9 | C8 | H27 | 119.8° | 120.1° |
| C8 | C9 | H18 | 121.0° | 119.9° |
| O19 | N18 | C13 | 109.4° | 111.0° |
| O19 | N18 | C14 | 111.5° | 111.3° |
| C13 | N18 | C14 | 113.3° | 112.6° |
| N18 | C13 | C12 | 109.7° | 110.3° |
| N18 | C13 | C11 | 111.2° | 110.1° |
| N18 | C13 | H6 | 108.1° | 108.5° |
| N18 | C14 | C10 | 109.8° | 110.3° |
| N18 | C14 | C15 | 108.5° | 110.0° |
| N18 | C14 | H3 | 108.3° | 108.5° |
| C12 | C13 | C11 | 112.7° | 109.8° |
| C13 | C12 | C16 | 111.5° | 109.4° |
| C12 | C13 | H6 | 107.5° | 109.0° |
| C13 | C12 | H7 | 108.9° | 109.4° |
| C13 | C12 | H8 | 109.0° | 109.5° |
| C13 | C11 | C17 | 111.3° | 108.3° |
| C13 | C11 | H4 | 109.0° | 109.7° |
| C13 | C11 | H5 | 109.0° | 109.7° |
| C11 | C13 | H6 | 107.4° | 109.1° |
| C10 | C14 | C15 | 114.6° | 109.8° |
| C14 | C10 | C16 | 113.3° | 109.5° |
| C10 | C14 | H3 | 107.7° | 109.0° |
| C14 | C10 | H11 | 108.5° | 109.5° |
| C14 | C10 | H12 | 108.5° | 109.5° |
| C14 | C15 | C17 | 111.2° | 108.3° |
| C14 | C15 | H1 | 109.1° | 109.7° |
| C14 | C15 | H2 | 109.0° | 109.7° |
| C15 | C14 | H3 | 107.8° | 109.0° |
| C12 | C16 | C10 | 114.1° | 108.6° |
| C16 | C12 | H7 | 109.0° | 109.4° |
| C16 | C12 | H8 | 109.0° | 109.5° |
| C12 | C16 | H9 | 108.3° | 109.6° |
| C12 | C16 | H10 | 108.3° | 109.6° |
| C10 | C16 | H9 | 108.3° | 109.8° |
| C10 | C16 | H10 | 108.3° | 109.6° |
| C16 | C10 | H11 | 108.5° | 109.6° |
| C16 | C10 | H12 | 108.5° | 109.2° |
| C11 | C17 | C15 | 122.1° | 117.6° |
| C11 | C17 | O20 | 119.9° | 121.2° |
| C17 | C11 | H4 | 109.0° | 109.7° |
| C17 | C11 | H5 | 109.0° | 109.7° |
| C15 | C17 | O20 | 117.9° | 121.2° |
| C17 | C15 | H1 | 109.0° | 109.7° |
| C17 | C15 | H2 | 109.0° | 109.7° |
| H1 | C15 | H2 | 109.4° | 109.7° |
| H4 | C11 | H5 | 109.5° | 109.7° |
| H7 | C12 | H8 | 109.4° | 109.5° |
| H9 | C16 | H10 | 109.5° | 109.6° |
| H11 | C10 | H12 | 109.5° | 109.5° |
| H13 | C23 | H14 | 109.5° | 109.5° |
| H16 | N21 | H17 | 109.5° | 111.0° |
| C24 | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O49 | C2 | N3 | C1 | 119.1° | 119.0° |
| O49 | C2 | N3 | H22 | 124.0° | 122.1° |
| O49 | C2 | C1 | H22 | 119.3° | 122.1° |
| O49 | C2 | N3 | C4 | 100.2° | 118.9° |
| O49 | C2 | C1 | C23 | 21.6° | 0.1° |
| O49 | C2 | C1 | C5 | 104.1° | 118.9° |
| O49 | C2 | C1 | O19 | 146.5° | 122.3° |
| O49 | C2 | N3 | H24 | 139.8° | 61.0° |
| N21 | C22 | C24 | C23 | 126.2° | 120.0° |
| N21 | C22 | C24 | H15 | 117.5° | 120.0° |
| N21 | C22 | C24 | O25 | 159.8° | 20.0° |
| N21 | C22 | C23 | H15 | 120.4° | 120.0° |
| N21 | C22 | C23 | C1 | 67.8° | 61.7° |
| N21 | C22 | C23 | H13 | 52.6° | 178.2° |
| N21 | C22 | C23 | H14 | 171.8° | 58.2° |
| C22 | N21 | H16 | H17 | 120.0° | 124.0° |
| N21 | C22 | C24 | OXT | 22.1° | 160.0° |
| N3 | C2 | C1 | H22 | 117.4° | 119.0° |
| C2 | N3 | C4 | H24 | 119.9° | 179.9° |
| N3 | C2 | C1 | C23 | 144.9° | 118.8° |
| C2 | N3 | C4 | C6 | 168.3° | 180.0° |
| C2 | N3 | C4 | C5 | 10.4° | 0.0° |
| N3 | C2 | C1 | C5 | 19.1° | 0.0° |
| N3 | C2 | C1 | O19 | 90.3° | 118.7° |
| N3 | C2 | O49 | H23 | 180.0° | 61.4° |
| C1 | C2 | N3 | C4 | 18.9° | 0.0° |
| C2 | C1 | C23 | C22 | 81.5° | 178.0° |
| C2 | C1 | C23 | C5 | 117.9° | 115.1° |
| C2 | C1 | C23 | O19 | 125.9° | 122.5° |
| C2 | C1 | C5 | C4 | 13.6° | 0.0° |
| C2 | C1 | C5 | O19 | 115.9° | 118.8° |
| C2 | C1 | C5 | C9 | 170.7° | 180.0° |
| C2 | C1 | O19 | N18 | 43.3° | 55.8° |
| C2 | C1 | C23 | H13 | 38.9° | 58.0° |
| C2 | C1 | C23 | H14 | 158.1° | 62.1° |
| C1 | C2 | O49 | H23 | 62.3° | 177.2° |
| C1 | C2 | N3 | H24 | 101.1° | 180.0° |
| N3 | C4 | C6 | C5 | 178.5° | 180.0° |
| N3 | C4 | C6 | C7 | 179.4° | 180.0° |
| N3 | C4 | C5 | C1 | 2.7° | 0.0° |
| N3 | C4 | C5 | C9 | 178.8° | 180.0° |
| C4 | N3 | C2 | H22 | 135.7° | 119.0° |
| N3 | C4 | C6 | H25 | 0.6° | 0.1° |
| C22 | C24 | O25 | OXT | 179.2° | 180.0° |
| C24 | C22 | C23 | H15 | 116.7° | 120.0° |
| C24 | C22 | C23 | C1 | 169.3° | 178.2° |
| C24 | C22 | C23 | H13 | 70.3° | 58.2° |
| C24 | C22 | C23 | H14 | 48.9° | 61.8° |
| C24 | C22 | N21 | H16 | 180.0° | 64.0° |
| C24 | C22 | N21 | H17 | 60.0° | 60.0° |
| C22 | C24 | OXT | HXT | 90.0° | 180.0° |
| O25 | C24 | C22 | C23 | 74.0° | 100.1° |
| O25 | C24 | C22 | H15 | 42.3° | 140.0° |
| O25 | C24 | OXT | HXT | 90.0° | 0.0° |
| C22 | C23 | C1 | H13 | 120.4° | 120.0° |
| C22 | C23 | C1 | H14 | 120.4° | 119.9° |
| C22 | C23 | C1 | C5 | 160.6° | 62.8° |
| C22 | C23 | C1 | O19 | 44.4° | 59.6° |
| C22 | C23 | H13 | H14 | 118.8° | 120.0° |
| C23 | C22 | N21 | H16 | 57.1° | 176.0° |
| C23 | C22 | N21 | H17 | 177.1° | 60.0° |
| C23 | C22 | C24 | OXT | 104.1° | 80.0° |
| C23 | C1 | C5 | C4 | 137.7° | 118.9° |
| C23 | C1 | C5 | O19 | 120.0° | 122.4° |
| C23 | C1 | C5 | C9 | 46.6° | 61.2° |
| C23 | C1 | O19 | N18 | 170.2° | 178.3° |
| C1 | C23 | H13 | H14 | 118.8° | 120.0° |
| C1 | C23 | C22 | H15 | 52.6° | 58.3° |
| C23 | C1 | C2 | H22 | 97.7° | 122.2° |
| C4 | C6 | C7 | H25 | 180.0° | 180.0° |
| C6 | C4 | C5 | C1 | 178.5° | 180.0° |
| C6 | C4 | C5 | C9 | 2.4° | 0.1° |
| C4 | C6 | C7 | C8 | 0.1° | 0.1° |
| C6 | C4 | N3 | H24 | 71.8° | 0.0° |
| C4 | C6 | C7 | H26 | 179.9° | 180.0° |
| C5 | C4 | C6 | C7 | 0.9° | 0.0° |
| C4 | C5 | C1 | C9 | 175.7° | 180.0° |
| C4 | C5 | C1 | O19 | 102.3° | 118.7° |
| C4 | C5 | C9 | C8 | 2.8° | 0.1° |
| C5 | C4 | N3 | H24 | 109.6° | 180.0° |
| C5 | C4 | C6 | H25 | 179.2° | 180.0° |
| C4 | C5 | C9 | H18 | 177.2° | 180.0° |
| C6 | C7 | C8 | H26 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.3° | 0.0° |
| C6 | C7 | C8 | H27 | 179.7° | 180.0° |
| C1 | C5 | C9 | C8 | 178.1° | 180.0° |
| C5 | C1 | O19 | N18 | 65.5° | 59.3° |
| C5 | C1 | C23 | H13 | 79.0° | 57.2° |
| C5 | C1 | C23 | H14 | 40.2° | 177.3° |
| C5 | C1 | C2 | H22 | 136.6° | 119.0° |
| C1 | C5 | C9 | H18 | 1.9° | 0.1° |
| O19 | C1 | C5 | C9 | 73.4° | 61.2° |
| C1 | O19 | N18 | C13 | 127.7° | 120.0° |
| C1 | O19 | N18 | C14 | 106.3° | 113.8° |
| O19 | C1 | C23 | H13 | 164.8° | 179.6° |
| O19 | C1 | C23 | H14 | 76.0° | 60.4° |
| O19 | C1 | C2 | H22 | 27.2° | 0.2° |
| C5 | C9 | C8 | C7 | 1.8° | 0.1° |
| C5 | C9 | C8 | H18 | 180.0° | 179.9° |
| C5 | C9 | C8 | H27 | 178.2° | 179.9° |
| C7 | C8 | C9 | H27 | 180.0° | 180.0° |
| C8 | C7 | C6 | H25 | 179.9° | 179.9° |
| C7 | C8 | C9 | H18 | 178.2° | 179.9° |
| C9 | C8 | C7 | H26 | 179.7° | 179.9° |
| O19 | N18 | C13 | C14 | 125.0° | 125.5° |
| O19 | N18 | C13 | C12 | 172.1° | 176.4° |
| O19 | N18 | C13 | C11 | 62.6° | 62.3° |
| O19 | N18 | C14 | C10 | 176.4° | 176.5° |
| O19 | N18 | C14 | C15 | 57.7° | 62.1° |
| O19 | N18 | C14 | H3 | 59.1° | 57.1° |
| O19 | N18 | C13 | H6 | 55.1° | 57.0° |
| N18 | C13 | C12 | C11 | 124.5° | 121.5° |
| N18 | C13 | C12 | H6 | 117.3° | 119.1° |
| N18 | C13 | C11 | H6 | 118.1° | 118.9° |
| C13 | N18 | C14 | C10 | 59.7° | 58.1° |
| C13 | N18 | C14 | C15 | 66.2° | 63.2° |
| N18 | C13 | C12 | C16 | 54.3° | 57.9° |
| N18 | C13 | C11 | C17 | 40.8° | 53.0° |
| C13 | N18 | C14 | H3 | 177.0° | 177.5° |
| N18 | C13 | C11 | H4 | 79.5° | 172.6° |
| N18 | C13 | C11 | H5 | 161.0° | 66.8° |
| N18 | C13 | C12 | H7 | 174.6° | 177.9° |
| N18 | C13 | C12 | H8 | 66.1° | 62.1° |
| C14 | N18 | C13 | C12 | 62.9° | 58.1° |
| C14 | N18 | C13 | C11 | 62.4° | 63.3° |
| N18 | C14 | C10 | C15 | 122.4° | 121.5° |
| N18 | C14 | C10 | H3 | 117.7° | 119.1° |
| N18 | C14 | C15 | H3 | 117.1° | 118.9° |
| N18 | C14 | C10 | C16 | 48.9° | 58.1° |
| N18 | C14 | C15 | C17 | 49.0° | 52.9° |
| N18 | C14 | C15 | H1 | 169.3° | 66.9° |
| N18 | C14 | C15 | H2 | 71.2° | 172.5° |
| C14 | N18 | C13 | H6 | 179.8° | 177.5° |
| N18 | C14 | C10 | H11 | 71.6° | 62.1° |
| N18 | C14 | C10 | H12 | 169.5° | 177.8° |
| C12 | C13 | C11 | H6 | 118.3° | 119.4° |
| C13 | C12 | C16 | H7 | 120.3° | 119.9° |
| C13 | C12 | C16 | H8 | 120.3° | 120.1° |
| C13 | C12 | C16 | C10 | 46.4° | 58.7° |
| C12 | C13 | C11 | C17 | 82.9° | 68.7° |
| C12 | C13 | C11 | H4 | 156.8° | 51.0° |
| C12 | C13 | C11 | H5 | 37.4° | 171.6° |
| C13 | C12 | H7 | H8 | 119.0° | 120.0° |
| C13 | C12 | C16 | H9 | 74.3° | 61.3° |
| C13 | C12 | C16 | H10 | 167.1° | 178.4° |
| C11 | C13 | C12 | C16 | 70.2° | 63.6° |
| C13 | C11 | C17 | H4 | 120.3° | 119.7° |
| C13 | C11 | C17 | H5 | 120.3° | 119.7° |
| C13 | C11 | C17 | C15 | 30.3° | 49.4° |
| C13 | C11 | C17 | O20 | 148.1° | 130.4° |
| C13 | C11 | H4 | H5 | 119.2° | 120.6° |
| C11 | C13 | C12 | H7 | 50.1° | 56.3° |
| C11 | C13 | C12 | H8 | 169.4° | 176.3° |
| C10 | C14 | C15 | H3 | 119.8° | 119.4° |
| C14 | C10 | C16 | C12 | 44.2° | 58.8° |
| C14 | C10 | C16 | H11 | 120.6° | 120.1° |
| C14 | C10 | C16 | H12 | 120.6° | 119.9° |
| C10 | C14 | C15 | C17 | 74.0° | 68.8° |
| C10 | C14 | C15 | H1 | 46.3° | 171.5° |
| C10 | C14 | C15 | H2 | 165.7° | 50.9° |
| C14 | C10 | C16 | H9 | 76.5° | 61.1° |
| C14 | C10 | C16 | H10 | 164.8° | 178.5° |
| C14 | C10 | H11 | H12 | 118.3° | 120.0° |
| C15 | C14 | C10 | C16 | 73.4° | 63.4° |
| C14 | C15 | C17 | C11 | 34.9° | 49.4° |
| C14 | C15 | C17 | H1 | 120.3° | 119.8° |
| C14 | C15 | C17 | H2 | 120.3° | 119.7° |
| C14 | C15 | C17 | O20 | 143.6° | 130.4° |
| C14 | C15 | H1 | H2 | 119.2° | 120.6° |
| C15 | C14 | C10 | H11 | 166.0° | 176.4° |
| C15 | C14 | C10 | H12 | 47.1° | 56.4° |
| C12 | C16 | C10 | H9 | 120.7° | 119.9° |
| C12 | C16 | C10 | H10 | 120.7° | 119.7° |
| C16 | C12 | C13 | H6 | 171.5° | 177.0° |
| C16 | C12 | H7 | H8 | 119.1° | 120.0° |
| C12 | C16 | H9 | H10 | 117.9° | 120.3° |
| C12 | C16 | C10 | H11 | 76.4° | 61.3° |
| C12 | C16 | C10 | H12 | 164.7° | 178.7° |
| C16 | C10 | C14 | H3 | 166.7° | 177.2° |
| C10 | C16 | C12 | H7 | 166.7° | 178.7° |
| C10 | C16 | C12 | H8 | 73.9° | 61.3° |
| C10 | C16 | H9 | H10 | 117.9° | 120.4° |
| C16 | C10 | H11 | H12 | 118.2° | 119.8° |
| C11 | C17 | C15 | O20 | 178.4° | 179.8° |
| C11 | C17 | C15 | H1 | 155.2° | 70.4° |
| C11 | C17 | C15 | H2 | 85.4° | 169.1° |
| C17 | C11 | H4 | H5 | 119.1° | 120.5° |
| C17 | C11 | C13 | H6 | 158.9° | 171.9° |
| C17 | C15 | H1 | H2 | 119.2° | 120.5° |
| C17 | C15 | C14 | H3 | 166.2° | 171.8° |
| C15 | C17 | C11 | H4 | 90.0° | 169.1° |
| C15 | C17 | C11 | H5 | 150.6° | 70.4° |
| O20 | C17 | C15 | H1 | 23.2° | 109.9° |
| O20 | C17 | C15 | H2 | 96.2° | 10.7° |
| O20 | C17 | C11 | H4 | 91.6° | 10.7° |
| O20 | C17 | C11 | H5 | 27.8° | 109.9° |
| H1 | C15 | C14 | H3 | 73.6° | 52.0° |
| H2 | C15 | C14 | H3 | 45.9° | 68.5° |
| H3 | C14 | C10 | H11 | 46.1° | 57.0° |
| H3 | C14 | C10 | H12 | 72.8° | 63.1° |
| H4 | C11 | C13 | H6 | 38.6° | 68.4° |
| H5 | C11 | C13 | H6 | 80.9° | 52.2° |
| H6 | C13 | C12 | H7 | 68.1° | 63.1° |
| H6 | C13 | C12 | H8 | 51.2° | 56.9° |
| H7 | C12 | C16 | H9 | 46.1° | 58.6° |
| H7 | C12 | C16 | H10 | 72.6° | 61.7° |
| H8 | C12 | C16 | H9 | 165.4° | 178.6° |
| H8 | C12 | C16 | H10 | 46.8° | 58.3° |
| H9 | C16 | C10 | H11 | 162.9° | 178.8° |
| H9 | C16 | C10 | H12 | 44.1° | 58.8° |
| H10 | C16 | C10 | H11 | 44.2° | 58.4° |
| H10 | C16 | C10 | H12 | 74.6° | 61.6° |
| H13 | C23 | C22 | H15 | 173.0° | 61.8° |
| H14 | C23 | C22 | H15 | 67.8° | 178.2° |
| H15 | C22 | N21 | H16 | 62.7° | 56.0° |
| H15 | C22 | N21 | H17 | 57.3° | 180.0° |
| H15 | C22 | C24 | OXT | 139.6° | 40.0° |
| H22 | C2 | O49 | H23 | 56.2° | 60.7° |
| H22 | C2 | N3 | H24 | 15.8° | 61.1° |
| H25 | C6 | C7 | H26 | 0.1° | 0.0° |
| H26 | C7 | C8 | H27 | 0.3° | 0.1° |
| H27 | C8 | C9 | H18 | 1.8° | 0.1° |
