KY5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C31 | doub | 1.38Å | 1.52Å | Aromatic |
| C32 | N33 | sing | 1.32Å | 1.47Å | Aromatic |
| C31 | C30 | sing | 1.39Å | 1.50Å | Aromatic |
| N33 | C28 | doub | 1.32Å | 1.50Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.49Å | Aromatic |
| C28 | N27 | sing | 1.39Å | 1.28Å | |
| C28 | C29 | sing | 1.39Å | 1.54Å | Aromatic |
| N27 | C26 | sing | 1.46Å | 1.49Å | |
| C26 | C25 | sing | 1.53Å | 1.56Å | |
| C25 | C24 | sing | 1.53Å | 1.58Å | |
| C24 | N19 | sing | 1.47Å | 1.53Å | |
| O01 | C02 | sing | 1.43Å | 1.48Å | |
| N19 | C20 | sing | 1.47Å | 1.50Å | |
| N19 | C18 | sing | 1.47Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C17 | C02 | sing | 1.55Å | 1.28Å | |
| C17 | C18 | sing | 1.53Å | 1.45Å | |
| C17 | O16 | sing | 1.44Å | 1.49Å | |
| C02 | C03 | sing | 1.54Å | 1.45Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C22 | N23 | sing | 1.47Å | 1.45Å | |
| O16 | C05 | sing | 1.44Å | 1.26Å | |
| O04 | C03 | sing | 1.43Å | 1.33Å | |
| C03 | C05 | sing | 1.55Å | 1.49Å | |
| C05 | N06 | sing | 1.46Å | 1.43Å | |
| N08 | C09 | doub | 1.32Å | 1.33Å | Aromatic |
| N08 | C07 | sing | 1.33Å | 1.37Å | Aromatic |
| N06 | C07 | sing | 1.37Å | 1.39Å | Aromatic |
| N06 | C15 | sing | 1.36Å | 1.35Å | Aromatic |
| C09 | N10 | sing | 1.32Å | 1.35Å | Aromatic |
| C07 | C13 | doub | 1.40Å | 1.38Å | Aromatic |
| C15 | N14 | doub | 1.30Å | 1.36Å | Aromatic |
| N10 | C11 | doub | 1.33Å | 1.35Å | Aromatic |
| C13 | N14 | sing | 1.35Å | 1.38Å | Aromatic |
| C13 | C11 | sing | 1.41Å | 1.42Å | Aromatic |
| C11 | N12 | sing | 1.38Å | 1.45Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C09 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.08Å | 1.08Å | |
| C30 | H22 | sing | 1.08Å | 1.08Å | |
| C31 | H23 | sing | 1.08Å | 1.08Å | |
| C32 | H24 | sing | 1.08Å | 1.08Å | |
| N12 | H25 | sing | 0.97Å | 1.00Å | |
| N12 | H26 | sing | 0.97Å | 1.00Å | |
| N23 | H28 | sing | 1.01Å | 1.00Å | |
| N23 | H29 | sing | 1.01Å | 1.00Å | |
| N27 | H31 | sing | 0.97Å | 1.00Å | |
| O01 | H32 | sing | 0.97Å | 0.95Å | |
| O04 | H33 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C32 | N33 | 122.0° | 120.9° |
| C32 | C31 | C30 | 119.4° | 119.3° |
| C32 | C31 | H23 | 120.3° | 120.4° |
| C31 | C32 | H24 | 119.0° | 119.6° |
| C32 | N33 | C28 | 119.1° | 121.6° |
| N33 | C32 | H24 | 119.0° | 119.5° |
| C31 | C30 | C29 | 119.3° | 118.6° |
| C31 | C30 | H22 | 120.4° | 120.7° |
| C30 | C31 | H23 | 120.3° | 120.3° |
| N33 | C28 | N27 | 116.4° | 119.7° |
| N33 | C28 | C29 | 119.8° | 120.6° |
| C30 | C29 | C28 | 120.4° | 119.1° |
| C30 | C29 | H21 | 119.8° | 120.4° |
| C29 | C30 | H22 | 120.4° | 120.7° |
| N27 | C28 | C29 | 123.8° | 119.7° |
| C28 | N27 | C26 | 122.9° | 120.0° |
| C28 | N27 | H31 | 106.0° | 120.0° |
| C28 | C29 | H21 | 119.8° | 120.4° |
| N27 | C26 | C25 | 103.4° | 109.5° |
| N27 | C26 | H19 | 111.0° | 109.4° |
| N27 | C26 | H20 | 110.9° | 109.5° |
| C26 | N27 | H31 | 106.0° | 120.0° |
| C26 | C25 | C24 | 110.4° | 109.5° |
| C26 | C25 | H17 | 109.3° | 109.4° |
| C26 | C25 | H18 | 109.3° | 109.5° |
| C25 | C26 | H19 | 111.0° | 109.4° |
| C25 | C26 | H20 | 111.0° | 109.5° |
| C25 | C24 | N19 | 111.9° | 109.5° |
| C25 | C24 | H15 | 108.8° | 109.4° |
| C25 | C24 | H16 | 108.9° | 109.5° |
| C24 | C25 | H17 | 109.2° | 109.5° |
| C24 | C25 | H18 | 109.2° | 109.4° |
| C24 | N19 | C20 | 109.2° | 111.0° |
| C24 | N19 | C18 | 116.6° | 111.0° |
| N19 | C24 | H15 | 108.9° | 109.4° |
| N19 | C24 | H16 | 108.9° | 109.5° |
| O01 | C02 | C17 | 106.7° | 110.6° |
| O01 | C02 | C03 | 111.0° | 110.5° |
| O01 | C02 | H1 | 108.4° | 110.4° |
| C02 | O01 | H32 | 109.5° | 113.9° |
| C20 | N19 | C18 | 113.4° | 111.0° |
| N19 | C20 | C21 | 109.5° | 109.5° |
| N19 | C20 | H9 | 109.5° | 109.5° |
| N19 | C20 | H10 | 109.4° | 109.5° |
| N19 | C18 | C17 | 117.8° | 109.5° |
| N19 | C18 | H7 | 107.3° | 109.5° |
| N19 | C18 | H8 | 107.3° | 109.5° |
| C20 | C21 | C22 | 110.1° | 109.5° |
| C21 | C20 | H9 | 109.5° | 109.5° |
| C21 | C20 | H10 | 109.5° | 109.5° |
| C20 | C21 | H11 | 109.3° | 109.5° |
| C20 | C21 | H12 | 109.3° | 109.5° |
| C02 | C17 | C18 | 119.6° | 110.4° |
| C02 | C17 | O16 | 105.9° | 104.8° |
| C17 | C02 | C03 | 110.6° | 104.1° |
| C17 | C02 | H1 | 111.4° | 110.5° |
| C02 | C17 | H6 | 111.5° | 110.4° |
| C18 | C17 | O16 | 101.8° | 110.4° |
| C18 | C17 | H6 | 108.9° | 110.3° |
| C17 | C18 | H7 | 107.3° | 109.5° |
| C17 | C18 | H8 | 107.3° | 109.5° |
| C17 | O16 | C05 | 106.9° | 105.3° |
| O16 | C17 | H6 | 108.3° | 110.5° |
| C02 | C03 | O04 | 116.9° | 110.5° |
| C02 | C03 | C05 | 100.5° | 104.1° |
| C03 | C02 | H1 | 108.8° | 110.5° |
| C02 | C03 | H2 | 108.1° | 110.6° |
| C21 | C22 | N23 | 106.3° | 109.5° |
| C22 | C21 | H11 | 109.3° | 109.4° |
| C22 | C21 | H12 | 109.3° | 109.5° |
| C21 | C22 | H13 | 110.3° | 109.5° |
| C21 | C22 | H14 | 110.3° | 109.5° |
| N23 | C22 | H13 | 110.3° | 109.5° |
| N23 | C22 | H14 | 110.3° | 109.4° |
| C22 | N23 | H28 | 109.5° | 111.0° |
| C22 | N23 | H29 | 109.5° | 111.0° |
| O16 | C05 | C03 | 105.8° | 104.8° |
| O16 | C05 | N06 | 106.7° | 110.4° |
| O16 | C05 | H3 | 110.8° | 110.5° |
| O04 | C03 | C05 | 113.2° | 110.5° |
| O04 | C03 | H2 | 109.8° | 110.6° |
| C03 | O04 | H33 | 109.5° | 113.9° |
| C03 | C05 | N06 | 117.5° | 110.4° |
| C05 | C03 | H2 | 107.7° | 110.5° |
| C03 | C05 | H3 | 107.7° | 110.3° |
| C05 | N06 | C07 | 126.2° | 126.3° |
| C05 | N06 | C15 | 126.5° | 126.3° |
| N06 | C05 | H3 | 108.3° | 110.3° |
| C09 | N08 | C07 | 118.6° | 120.6° |
| N08 | C09 | N10 | 121.6° | 122.4° |
| N08 | C09 | H4 | 119.2° | 118.8° |
| N08 | C07 | N06 | 130.5° | 134.9° |
| N08 | C07 | C13 | 122.1° | 119.1° |
| C07 | N06 | C15 | 107.2° | 107.4° |
| N06 | C07 | C13 | 107.4° | 106.0° |
| N06 | C15 | N14 | 110.1° | 110.0° |
| N06 | C15 | H5 | 125.0° | 125.1° |
| C09 | N10 | C11 | 122.0° | 121.2° |
| N10 | C09 | H4 | 119.2° | 118.8° |
| C07 | C13 | N14 | 108.2° | 107.1° |
| C07 | C13 | C11 | 117.7° | 118.1° |
| C15 | N14 | C13 | 107.0° | 109.4° |
| N14 | C15 | H5 | 124.9° | 125.0° |
| N10 | C11 | C13 | 117.9° | 118.5° |
| N10 | C11 | N12 | 120.5° | 120.8° |
| N14 | C13 | C11 | 134.0° | 134.7° |
| C13 | C11 | N12 | 121.6° | 120.7° |
| C11 | N12 | H25 | 109.5° | 120.0° |
| C11 | N12 | H26 | 109.5° | 120.0° |
| H7 | C18 | H8 | 109.5° | 109.5° |
| H9 | C20 | H10 | 109.5° | 109.5° |
| H11 | C21 | H12 | 109.5° | 109.5° |
| H13 | C22 | H14 | 109.4° | 109.5° |
| H15 | C24 | H16 | 109.5° | 109.5° |
| H17 | C25 | H18 | 109.5° | 109.5° |
| H19 | C26 | H20 | 109.5° | 109.5° |
| H25 | N12 | H26 | 109.4° | 120.0° |
| H28 | N23 | H29 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C32 | N33 | H24 | 180.0° | 179.7° |
| C32 | C31 | C30 | H23 | 180.0° | 180.0° |
| C31 | C32 | N33 | C28 | 1.7° | 0.5° |
| C32 | C31 | C30 | C29 | 1.0° | 0.0° |
| C32 | C31 | C30 | H22 | 178.9° | 180.0° |
| N33 | C32 | C31 | C30 | 1.6° | 0.3° |
| C32 | N33 | C28 | N27 | 179.9° | 179.8° |
| C32 | N33 | C28 | C29 | 1.1° | 0.5° |
| N33 | C32 | C31 | H23 | 178.3° | 179.7° |
| C31 | C30 | C29 | H22 | 180.0° | 180.0° |
| C31 | C30 | C29 | C28 | 0.5° | 0.0° |
| C31 | C30 | C29 | H21 | 179.4° | 179.9° |
| C30 | C31 | C32 | H24 | 178.4° | 180.0° |
| N33 | C28 | C29 | C30 | 0.6° | 0.2° |
| N33 | C28 | N27 | C29 | 178.7° | 179.7° |
| N33 | C28 | N27 | C26 | 178.8° | 179.7° |
| N33 | C28 | C29 | H21 | 179.4° | 179.7° |
| C28 | N33 | C32 | H24 | 178.4° | 179.7° |
| N33 | C28 | N27 | H31 | 56.9° | 0.3° |
| C30 | C29 | C28 | N27 | 179.2° | 180.0° |
| C30 | C29 | C28 | H21 | 180.0° | 179.9° |
| C29 | C30 | C31 | H23 | 178.9° | 180.0° |
| C28 | N27 | C26 | H31 | 121.9° | 180.0° |
| C28 | N27 | C26 | C25 | 82.1° | 180.0° |
| C28 | N27 | C26 | H19 | 158.9° | 60.0° |
| C28 | N27 | C26 | H20 | 36.9° | 60.0° |
| N27 | C28 | C29 | H21 | 0.7° | 0.0° |
| C29 | C28 | N27 | C26 | 2.6° | 0.0° |
| C28 | C29 | C30 | H22 | 179.4° | 180.0° |
| C29 | C28 | N27 | H31 | 124.4° | 180.0° |
| N27 | C26 | C25 | H19 | 119.0° | 119.9° |
| N27 | C26 | C25 | H20 | 119.0° | 120.0° |
| N27 | C26 | C25 | C24 | 58.7° | 180.0° |
| N27 | C26 | C25 | H17 | 178.9° | 60.1° |
| N27 | C26 | C25 | H18 | 61.4° | 60.0° |
| N27 | C26 | H19 | H20 | 122.8° | 120.0° |
| C26 | C25 | C24 | H17 | 120.2° | 120.0° |
| C26 | C25 | C24 | H18 | 120.2° | 120.0° |
| C26 | C25 | C24 | N19 | 166.3° | 179.9° |
| C26 | C25 | C24 | H15 | 73.3° | 60.0° |
| C26 | C25 | C24 | H16 | 46.0° | 60.0° |
| C26 | C25 | H17 | H18 | 119.6° | 120.1° |
| C25 | C26 | H19 | H20 | 122.8° | 120.0° |
| C25 | C26 | N27 | H31 | 39.7° | 0.0° |
| C25 | C24 | N19 | H15 | 120.3° | 119.9° |
| C25 | C24 | N19 | H16 | 120.4° | 120.0° |
| C25 | C24 | N19 | C20 | 58.0° | 67.0° |
| C25 | C24 | N19 | C18 | 72.2° | 169.1° |
| C25 | C24 | H15 | H16 | 118.9° | 120.0° |
| C24 | C25 | H17 | H18 | 119.5° | 120.0° |
| C24 | C25 | C26 | H19 | 60.3° | 60.0° |
| C24 | C25 | C26 | H20 | 177.7° | 60.0° |
| C24 | N19 | C20 | C18 | 131.9° | 123.9° |
| C24 | N19 | C20 | C21 | 155.0° | 164.2° |
| C24 | N19 | C18 | C17 | 63.2° | 76.9° |
| C24 | N19 | C18 | H7 | 58.0° | 163.1° |
| C24 | N19 | C18 | H8 | 175.6° | 43.1° |
| C24 | N19 | C20 | H9 | 85.1° | 44.2° |
| C24 | N19 | C20 | H10 | 35.0° | 75.8° |
| N19 | C24 | H15 | H16 | 118.9° | 120.0° |
| N19 | C24 | C25 | H17 | 46.2° | 60.0° |
| N19 | C24 | C25 | H18 | 73.5° | 60.1° |
| O01 | C02 | C17 | C03 | 120.8° | 118.7° |
| O01 | C02 | C17 | H1 | 118.1° | 122.6° |
| O01 | C02 | C17 | C18 | 124.4° | 98.5° |
| O01 | C02 | C17 | O16 | 121.7° | 142.7° |
| O01 | C02 | C03 | H1 | 119.2° | 122.5° |
| O01 | C02 | C03 | O04 | 21.2° | 0.2° |
| O01 | C02 | C03 | C05 | 101.7° | 118.8° |
| O01 | C02 | C03 | H2 | 145.6° | 122.6° |
| O01 | C02 | C17 | H6 | 4.1° | 23.7° |
| N19 | C20 | C21 | H9 | 120.0° | 120.0° |
| N19 | C20 | C21 | H10 | 120.0° | 120.0° |
| C20 | N19 | C18 | C17 | 168.7° | 159.2° |
| N19 | C20 | C21 | C22 | 156.9° | 174.8° |
| C20 | N19 | C18 | H7 | 70.1° | 39.2° |
| C20 | N19 | C18 | H8 | 47.5° | 80.8° |
| N19 | C20 | H9 | H10 | 120.0° | 120.0° |
| N19 | C20 | C21 | H11 | 36.8° | 54.9° |
| N19 | C20 | C21 | H12 | 83.0° | 65.2° |
| C20 | N19 | C24 | H15 | 62.4° | 173.1° |
| C20 | N19 | C24 | H16 | 178.3° | 53.1° |
| C18 | N19 | C20 | C21 | 73.2° | 71.9° |
| N19 | C18 | C17 | C02 | 68.3° | 174.5° |
| N19 | C18 | C17 | H7 | 121.2° | 120.0° |
| N19 | C18 | C17 | H8 | 121.2° | 120.1° |
| N19 | C18 | C17 | O16 | 175.6° | 70.1° |
| N19 | C18 | C17 | H6 | 61.4° | 52.3° |
| N19 | C18 | H7 | H8 | 116.2° | 120.1° |
| C18 | N19 | C20 | H9 | 46.8° | 168.1° |
| C18 | N19 | C20 | H10 | 166.8° | 48.1° |
| C18 | N19 | C24 | H15 | 167.5° | 49.2° |
| C18 | N19 | C24 | H16 | 48.2° | 70.8° |
| C20 | C21 | C22 | H11 | 120.1° | 120.0° |
| C20 | C21 | C22 | H12 | 120.1° | 120.0° |
| C20 | C21 | C22 | N23 | 78.4° | 179.9° |
| C21 | C20 | H9 | H10 | 120.0° | 120.0° |
| C20 | C21 | H11 | H12 | 119.7° | 120.0° |
| C20 | C21 | C22 | H13 | 41.2° | 60.0° |
| C20 | C21 | C22 | H14 | 162.1° | 60.0° |
| C02 | C17 | C18 | O16 | 116.1° | 115.4° |
| C02 | C17 | C18 | H6 | 129.7° | 122.2° |
| C02 | C17 | O16 | H6 | 119.7° | 118.9° |
| C17 | C02 | C03 | H1 | 122.6° | 118.7° |
| C02 | C17 | O16 | C05 | 21.7° | 40.5° |
| C17 | C02 | C03 | O04 | 139.4° | 118.6° |
| C17 | C02 | C03 | C05 | 16.5° | 0.0° |
| C17 | C02 | C03 | H2 | 96.2° | 118.6° |
| C02 | C17 | C18 | H7 | 170.5° | 54.6° |
| C02 | C17 | C18 | H8 | 52.9° | 65.4° |
| C17 | C02 | O01 | H32 | 180.0° | 176.1° |
| C18 | C17 | O16 | H6 | 114.6° | 122.3° |
| C18 | C17 | C02 | C03 | 114.8° | 142.8° |
| C18 | C17 | O16 | C05 | 147.3° | 159.4° |
| C18 | C17 | C02 | H1 | 6.3° | 24.1° |
| C17 | C18 | H7 | H8 | 116.2° | 120.0° |
| O16 | C17 | C02 | C03 | 0.9° | 24.0° |
| C17 | O16 | C05 | C03 | 31.8° | 40.5° |
| C17 | O16 | C05 | N06 | 157.6° | 159.3° |
| O16 | C17 | C02 | H1 | 120.2° | 94.7° |
| C17 | O16 | C05 | H3 | 84.6° | 78.3° |
| O16 | C17 | C18 | H7 | 54.4° | 169.9° |
| O16 | C17 | C18 | H8 | 63.2° | 49.9° |
| C02 | C03 | C05 | O16 | 30.2° | 24.0° |
| C02 | C03 | O04 | C05 | 116.1° | 114.6° |
| C02 | C03 | O04 | H2 | 123.6° | 122.7° |
| C02 | C03 | C05 | H2 | 113.0° | 118.7° |
| C02 | C03 | C05 | N06 | 149.1° | 142.8° |
| C02 | C03 | C05 | H3 | 88.3° | 95.0° |
| C03 | C02 | C17 | H6 | 116.7° | 95.0° |
| C03 | C02 | O01 | H32 | 59.5° | 61.4° |
| C02 | C03 | O04 | H33 | 180.0° | 61.5° |
| C21 | C22 | N23 | H13 | 119.5° | 120.0° |
| C21 | C22 | N23 | H14 | 119.5° | 120.0° |
| C22 | C21 | C20 | H9 | 83.1° | 54.8° |
| C22 | C21 | C20 | H10 | 36.9° | 65.2° |
| C22 | C21 | H11 | H12 | 119.7° | 120.0° |
| C21 | C22 | H13 | H14 | 121.4° | 120.0° |
| C21 | C22 | N23 | H28 | 180.0° | 180.0° |
| C21 | C22 | N23 | H29 | 60.0° | 56.0° |
| N23 | C22 | C21 | H11 | 161.5° | 60.0° |
| N23 | C22 | C21 | H12 | 41.7° | 60.0° |
| N23 | C22 | H13 | H14 | 121.4° | 120.0° |
| C22 | N23 | H28 | H29 | 120.0° | 124.0° |
| O16 | C05 | C03 | O04 | 155.7° | 142.7° |
| O16 | C05 | C03 | N06 | 118.9° | 118.8° |
| O16 | C05 | C03 | H3 | 118.6° | 119.0° |
| O16 | C05 | N06 | H3 | 119.4° | 122.4° |
| O16 | C05 | N06 | C07 | 109.4° | 159.6° |
| O16 | C05 | N06 | C15 | 66.5° | 20.3° |
| O16 | C05 | C03 | H2 | 82.8° | 94.7° |
| C05 | O16 | C17 | H6 | 98.0° | 78.3° |
| O04 | C03 | C05 | H2 | 121.5° | 122.7° |
| O04 | C03 | C05 | N06 | 85.4° | 98.5° |
| O04 | C03 | C02 | H1 | 97.9° | 122.7° |
| O04 | C03 | C05 | H3 | 37.1° | 23.7° |
| C03 | C05 | N06 | H3 | 122.2° | 122.2° |
| C03 | C05 | N06 | C07 | 132.1° | 85.0° |
| C03 | C05 | N06 | C15 | 51.9° | 95.0° |
| C05 | C03 | C02 | H1 | 139.1° | 118.7° |
| C05 | C03 | O04 | H33 | 63.9° | 176.1° |
| C05 | N06 | C07 | N08 | 2.8° | 0.2° |
| C05 | N06 | C07 | C15 | 176.6° | 180.0° |
| C05 | N06 | C07 | C13 | 177.3° | 180.0° |
| C05 | N06 | C15 | N14 | 179.4° | 179.9° |
| N06 | C05 | C03 | H2 | 36.1° | 24.1° |
| C05 | N06 | C15 | H5 | 0.6° | 0.0° |
| C09 | N08 | C07 | N06 | 179.5° | 179.7° |
| N08 | C09 | N10 | H4 | 180.0° | 179.7° |
| C09 | N08 | C07 | C13 | 0.6° | 0.0° |
| N08 | C09 | N10 | C11 | 0.0° | 0.2° |
| N08 | C07 | N06 | C13 | 179.9° | 179.7° |
| N08 | C07 | N06 | C15 | 179.3° | 179.7° |
| C07 | N08 | C09 | N10 | 0.9° | 0.0° |
| N08 | C07 | C13 | N14 | 178.4° | 179.8° |
| N08 | C07 | C13 | C11 | 0.6° | 0.2° |
| C07 | N08 | C09 | H4 | 179.1° | 179.7° |
| C07 | N06 | C15 | N14 | 2.8° | 0.0° |
| N06 | C07 | C13 | N14 | 1.6° | 0.0° |
| N06 | C07 | C13 | C11 | 179.3° | 180.0° |
| C07 | N06 | C05 | H3 | 9.9° | 37.2° |
| C07 | N06 | C15 | H5 | 177.2° | 180.0° |
| C15 | N06 | C07 | C13 | 0.7° | 0.0° |
| N06 | C15 | N14 | H5 | 180.0° | 180.0° |
| N06 | C15 | N14 | C13 | 3.8° | 0.0° |
| C15 | N06 | C05 | H3 | 174.1° | 142.8° |
| C09 | N10 | C11 | C13 | 1.3° | 0.4° |
| C09 | N10 | C11 | N12 | 177.3° | 180.0° |
| C07 | C13 | N14 | C15 | 3.2° | 0.0° |
| C07 | C13 | C11 | N10 | 1.6° | 0.4° |
| C07 | C13 | N14 | C11 | 177.2° | 180.0° |
| C07 | C13 | C11 | N12 | 177.0° | 180.0° |
| C15 | N14 | C13 | C11 | 179.6° | 180.0° |
| N10 | C11 | C13 | N14 | 178.6° | 179.5° |
| N10 | C11 | C13 | N12 | 178.6° | 179.6° |
| C11 | N10 | C09 | H4 | 180.0° | 180.0° |
| N10 | C11 | N12 | H25 | 0.0° | 179.5° |
| N10 | C11 | N12 | H26 | 120.0° | 0.4° |
| N14 | C13 | C11 | N12 | 0.0° | 0.0° |
| C13 | N14 | C15 | H5 | 176.2° | 180.0° |
| C13 | C11 | N12 | H25 | 178.6° | 0.1° |
| C13 | C11 | N12 | H26 | 61.4° | 179.9° |
| C11 | N12 | H25 | H26 | 120.0° | 179.9° |
| H1 | C02 | C03 | H2 | 26.5° | 0.0° |
| H1 | C02 | C17 | H6 | 122.2° | 146.3° |
| H1 | C02 | O01 | H32 | 59.9° | 61.2° |
| H2 | C03 | C05 | H3 | 158.6° | 146.3° |
| H2 | C03 | O04 | H33 | 56.4° | 61.3° |
| H6 | C17 | C18 | H7 | 59.8° | 67.6° |
| H6 | C17 | C18 | H8 | 177.4° | 172.4° |
| H9 | C20 | C21 | H11 | 156.8° | 65.1° |
| H9 | C20 | C21 | H12 | 37.0° | 174.8° |
| H10 | C20 | C21 | H11 | 83.1° | 174.9° |
| H10 | C20 | C21 | H12 | 157.0° | 54.8° |
| H11 | C21 | C22 | H13 | 78.9° | 180.0° |
| H11 | C21 | C22 | H14 | 42.0° | 60.0° |
| H12 | C21 | C22 | H13 | 161.2° | 60.0° |
| H12 | C21 | C22 | H14 | 77.8° | 180.0° |
| H13 | C22 | N23 | H28 | 60.5° | 60.0° |
| H13 | C22 | N23 | H29 | 179.5° | 176.1° |
| H14 | C22 | N23 | H28 | 60.5° | 60.0° |
| H14 | C22 | N23 | H29 | 59.5° | 63.9° |
| H15 | C24 | C25 | H17 | 166.5° | 60.0° |
| H15 | C24 | C25 | H18 | 46.8° | 180.0° |
| H16 | C24 | C25 | H17 | 74.2° | 180.0° |
| H16 | C24 | C25 | H18 | 166.1° | 60.0° |
| H17 | C25 | C26 | H19 | 59.8° | 180.0° |
| H17 | C25 | C26 | H20 | 62.1° | 60.0° |
| H18 | C25 | C26 | H19 | 179.5° | 59.9° |
| H18 | C25 | C26 | H20 | 57.6° | 179.9° |
| H19 | C26 | N27 | H31 | 79.3° | 120.0° |
| H20 | C26 | N27 | H31 | 158.8° | 120.1° |
| H21 | C29 | C30 | H22 | 0.6° | 0.0° |
| H22 | C30 | C31 | H23 | 1.1° | 0.0° |
| H23 | C31 | C32 | H24 | 1.6° | 0.0° |
