K5A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.55Å | |
| C18 | N19 | sing | 1.47Å | 1.57Å | |
| N15 | C16 | sing | 1.47Å | 1.50Å | |
| N15 | C14 | sing | 1.39Å | 1.40Å | |
| C16 | C32 | sing | 1.53Å | 1.55Å | |
| N33 | C14 | doub | 1.32Å | 1.38Å | Aromatic |
| N33 | C34 | sing | 1.35Å | 1.35Å | Aromatic |
| N19 | C20 | sing | 1.47Å | 1.47Å | |
| N19 | C31 | sing | 1.47Å | 1.47Å | |
| C35 | C34 | sing | 1.40Å | 1.46Å | Aromatic |
| C35 | C36 | doub | 1.32Å | 1.35Å | Aromatic |
| C14 | N13 | sing | 1.33Å | 1.44Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C34 | C38 | doub | 1.40Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.51Å | |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| N26 | S25 | sing | 1.66Å | 1.66Å | |
| C21 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | S37 | sing | 1.76Å | 1.71Å | Aromatic |
| N13 | C12 | doub | 1.33Å | 1.38Å | Aromatic |
| C24 | S25 | sing | 1.76Å | 1.73Å | |
| C24 | C29 | doub | 1.38Å | 1.41Å | Aromatic |
| C38 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C38 | S37 | sing | 1.76Å | 1.71Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | O11 | sing | 1.36Å | 1.38Å | |
| S25 | O28 | doub | 1.42Å | 1.42Å | |
| S25 | O27 | doub | 1.42Å | 1.42Å | |
| C01 | C02 | sing | 1.51Å | 1.50Å | |
| O11 | C10 | sing | 1.36Å | 1.40Å | |
| C02 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.42Å | Aromatic |
| C10 | C08 | sing | 1.39Å | 1.42Å | Aromatic |
| C03 | C04 | doub | 1.40Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.51Å | 1.50Å | |
| C08 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
| C04 | C07 | sing | 1.40Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.43Å | 1.44Å | |
| C05 | N06 | trip | 1.14Å | 1.16Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.08Å | 1.08Å | |
| C23 | H17 | sing | 1.08Å | 1.08Å | |
| C29 | H18 | sing | 1.08Å | 1.08Å | |
| C30 | H19 | sing | 1.08Å | 1.08Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| C35 | H24 | sing | 1.08Å | 1.08Å | |
| C36 | H25 | sing | 1.08Å | 1.08Å | |
| N15 | H26 | sing | 0.97Å | 1.00Å | |
| N26 | H28 | sing | 0.97Å | 1.00Å | |
| N26 | H29 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | C16 | 111.5° | 109.3° |
| C17 | C18 | N19 | 117.7° | 109.5° |
| C18 | C17 | H10 | 108.9° | 109.5° |
| C18 | C17 | H11 | 109.0° | 109.5° |
| C17 | C18 | H12 | 107.4° | 109.5° |
| C17 | C18 | H13 | 107.4° | 109.5° |
| C17 | C16 | N15 | 112.6° | 109.5° |
| C17 | C16 | C32 | 108.1° | 109.2° |
| C17 | C16 | H9 | 107.9° | 109.5° |
| C16 | C17 | H10 | 109.0° | 109.5° |
| C16 | C17 | H11 | 109.0° | 109.5° |
| C18 | N19 | C20 | 124.3° | 111.0° |
| C18 | N19 | C31 | 115.3° | 111.2° |
| N19 | C18 | H12 | 107.4° | 109.5° |
| N19 | C18 | H13 | 107.4° | 109.4° |
| C16 | N15 | C14 | 127.1° | 120.0° |
| N15 | C16 | C32 | 111.9° | 109.5° |
| N15 | C16 | H9 | 108.4° | 109.6° |
| C16 | N15 | H26 | 104.9° | 120.0° |
| N15 | C14 | N33 | 116.2° | 118.8° |
| N15 | C14 | N13 | 120.0° | 118.8° |
| C14 | N15 | H26 | 104.9° | 120.0° |
| C16 | C32 | C31 | 114.2° | 109.3° |
| C32 | C16 | H9 | 107.8° | 109.5° |
| C16 | C32 | H22 | 108.3° | 109.5° |
| C16 | C32 | H23 | 108.3° | 109.5° |
| C14 | N33 | C34 | 115.4° | 121.0° |
| N33 | C14 | N13 | 123.8° | 122.4° |
| N33 | C34 | C35 | 123.9° | 129.6° |
| N33 | C34 | C38 | 125.5° | 117.9° |
| C20 | N19 | C31 | 106.2° | 111.0° |
| N19 | C20 | C21 | 102.7° | 109.5° |
| N19 | C20 | H14 | 111.1° | 109.4° |
| N19 | C20 | H15 | 111.1° | 109.4° |
| N19 | C31 | C32 | 114.4° | 109.5° |
| N19 | C31 | H20 | 108.2° | 109.5° |
| N19 | C31 | H21 | 108.2° | 109.5° |
| C34 | C35 | C36 | 112.1° | 115.8° |
| C35 | C34 | C38 | 110.6° | 112.5° |
| C34 | C35 | H24 | 123.9° | 122.1° |
| C35 | C36 | S37 | 113.1° | 110.8° |
| C36 | C35 | H24 | 124.0° | 122.1° |
| C35 | C36 | H25 | 123.4° | 124.6° |
| C14 | N13 | C12 | 116.2° | 120.7° |
| C23 | C22 | C21 | 119.2° | 120.0° |
| C22 | C23 | C24 | 124.5° | 120.0° |
| C23 | C22 | H16 | 120.4° | 120.0° |
| C22 | C23 | H17 | 117.7° | 120.0° |
| C22 | C21 | C20 | 122.7° | 120.0° |
| C22 | C21 | C30 | 119.1° | 120.0° |
| C21 | C22 | H16 | 120.4° | 120.0° |
| C34 | C38 | C12 | 116.6° | 119.0° |
| C34 | C38 | S37 | 112.0° | 109.4° |
| C20 | C21 | C30 | 118.2° | 120.0° |
| C21 | C20 | H14 | 111.2° | 109.5° |
| C21 | C20 | H15 | 111.1° | 109.5° |
| C32 | C31 | H20 | 108.2° | 109.5° |
| C32 | C31 | H21 | 108.2° | 109.4° |
| C31 | C32 | H22 | 108.3° | 109.5° |
| C31 | C32 | H23 | 108.3° | 109.5° |
| C23 | C24 | S25 | 125.1° | 120.0° |
| C23 | C24 | C29 | 113.3° | 120.0° |
| C24 | C23 | H17 | 117.7° | 120.0° |
| N26 | S25 | C24 | 109.1° | 107.2° |
| N26 | S25 | O28 | 105.1° | 106.4° |
| N26 | S25 | O27 | 105.9° | 106.4° |
| S25 | N26 | H28 | 109.5° | 120.0° |
| S25 | N26 | H29 | 109.5° | 120.0° |
| C21 | C30 | C29 | 120.3° | 120.0° |
| C21 | C30 | H19 | 119.8° | 120.0° |
| C36 | S37 | C38 | 92.1° | 91.5° |
| S37 | C36 | H25 | 123.5° | 124.6° |
| N13 | C12 | C38 | 122.4° | 119.1° |
| N13 | C12 | O11 | 118.5° | 120.4° |
| S25 | C24 | C29 | 121.6° | 120.0° |
| C24 | S25 | O28 | 110.7° | 106.4° |
| C24 | S25 | O27 | 109.3° | 106.4° |
| C24 | C29 | C30 | 123.5° | 120.0° |
| C24 | C29 | H18 | 118.3° | 120.0° |
| C12 | C38 | S37 | 131.3° | 131.6° |
| C38 | C12 | O11 | 119.0° | 120.5° |
| C30 | C29 | H18 | 118.2° | 120.0° |
| C29 | C30 | H19 | 119.9° | 120.0° |
| C12 | O11 | C10 | 119.3° | 118.0° |
| O28 | S25 | O27 | 116.3° | 123.1° |
| C01 | C02 | C10 | 126.0° | 119.9° |
| C01 | C02 | C03 | 115.3° | 120.0° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.4° | 109.4° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| O11 | C10 | C02 | 120.6° | 119.9° |
| O11 | C10 | C08 | 119.1° | 119.9° |
| C10 | C02 | C03 | 118.8° | 120.1° |
| C02 | C10 | C08 | 120.0° | 120.2° |
| C02 | C03 | C04 | 121.1° | 119.9° |
| C02 | C03 | H4 | 119.5° | 120.1° |
| C10 | C08 | C09 | 123.2° | 119.9° |
| C10 | C08 | C07 | 118.9° | 120.1° |
| C03 | C04 | C07 | 119.6° | 119.9° |
| C03 | C04 | C05 | 127.8° | 120.1° |
| C04 | C03 | H4 | 119.4° | 120.1° |
| C09 | C08 | C07 | 117.9° | 120.0° |
| C08 | C09 | H6 | 109.5° | 109.4° |
| C08 | C09 | H7 | 109.5° | 109.5° |
| C08 | C09 | H8 | 109.4° | 109.4° |
| C08 | C07 | C04 | 121.6° | 119.8° |
| C08 | C07 | H5 | 119.2° | 120.0° |
| C07 | C04 | C05 | 112.7° | 120.1° |
| C04 | C07 | H5 | 119.2° | 120.1° |
| C04 | C05 | N06 | 179.9° | 180.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H6 | C09 | H7 | 109.5° | 109.5° |
| H6 | C09 | H8 | 109.5° | 109.5° |
| H7 | C09 | H8 | 109.5° | 109.5° |
| H10 | C17 | H11 | 109.5° | 109.6° |
| H12 | C18 | H13 | 109.5° | 109.5° |
| H14 | C20 | H15 | 109.5° | 109.5° |
| H20 | C31 | H21 | 109.4° | 109.5° |
| H22 | C32 | H23 | 109.5° | 109.5° |
| H28 | N26 | H29 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | C16 | H10 | 120.3° | 119.9° |
| C18 | C17 | C16 | H11 | 120.3° | 119.9° |
| C17 | C18 | N19 | H12 | 121.2° | 120.0° |
| C17 | C18 | N19 | H13 | 121.2° | 120.0° |
| C18 | C17 | C16 | N15 | 178.3° | 177.6° |
| C18 | C17 | C16 | C32 | 54.2° | 57.7° |
| C17 | C18 | N19 | C20 | 168.6° | 174.2° |
| C17 | C18 | N19 | C31 | 34.6° | 61.8° |
| C18 | C17 | C16 | H9 | 62.1° | 62.2° |
| C18 | C17 | H10 | H11 | 119.1° | 120.0° |
| C17 | C18 | H12 | H13 | 116.2° | 120.1° |
| C16 | C17 | C18 | N19 | 43.9° | 59.2° |
| C17 | C16 | N15 | C32 | 122.0° | 119.7° |
| C17 | C16 | N15 | H9 | 119.3° | 120.2° |
| C17 | C16 | N15 | C14 | 170.6° | 85.3° |
| C17 | C16 | C32 | H9 | 116.3° | 119.9° |
| C17 | C16 | C32 | C31 | 59.4° | 57.7° |
| C16 | C17 | H10 | H11 | 119.1° | 120.2° |
| C16 | C17 | C18 | H12 | 77.3° | 60.8° |
| C16 | C17 | C18 | H13 | 165.1° | 179.2° |
| C17 | C16 | C32 | H22 | 61.3° | 62.2° |
| C17 | C16 | C32 | H23 | 179.9° | 177.6° |
| C17 | C16 | N15 | H26 | 67.1° | 94.8° |
| C18 | N19 | C20 | C31 | 137.4° | 124.2° |
| C18 | N19 | C20 | C21 | 136.0° | 170.0° |
| C18 | N19 | C31 | C32 | 36.6° | 61.8° |
| N19 | C18 | C17 | H10 | 76.4° | 179.1° |
| N19 | C18 | C17 | H11 | 164.2° | 60.8° |
| N19 | C18 | H12 | H13 | 116.3° | 119.9° |
| C18 | N19 | C20 | H14 | 105.1° | 50.1° |
| C18 | N19 | C20 | H15 | 17.1° | 70.0° |
| C18 | N19 | C31 | H20 | 84.1° | 178.2° |
| C18 | N19 | C31 | H21 | 157.4° | 58.2° |
| C16 | N15 | C14 | H26 | 122.3° | 179.9° |
| N15 | C16 | C32 | H9 | 119.1° | 120.2° |
| C16 | N15 | C14 | N33 | 177.2° | 180.0° |
| C16 | N15 | C14 | N13 | 2.4° | 0.0° |
| N15 | C16 | C32 | C31 | 176.1° | 177.6° |
| N15 | C16 | C17 | H10 | 58.0° | 62.5° |
| N15 | C16 | C17 | H11 | 61.4° | 57.7° |
| N15 | C16 | C32 | H22 | 63.2° | 57.7° |
| N15 | C16 | C32 | H23 | 55.4° | 62.5° |
| C14 | N15 | C16 | C32 | 67.5° | 155.0° |
| N15 | C14 | N33 | N13 | 179.5° | 180.0° |
| N15 | C14 | N33 | C34 | 179.8° | 179.7° |
| N15 | C14 | N13 | C12 | 179.8° | 180.0° |
| C14 | N15 | C16 | H9 | 51.3° | 34.8° |
| C16 | C32 | C31 | N19 | 51.3° | 59.2° |
| C16 | C32 | C31 | H22 | 120.7° | 120.0° |
| C16 | C32 | C31 | H23 | 120.7° | 120.0° |
| C32 | C16 | C17 | H10 | 66.1° | 177.6° |
| C32 | C16 | C17 | H11 | 174.5° | 62.2° |
| C16 | C32 | C31 | H20 | 69.4° | 179.2° |
| C16 | C32 | C31 | H21 | 172.1° | 60.8° |
| C16 | C32 | H22 | H23 | 117.8° | 120.1° |
| C32 | C16 | N15 | H26 | 54.9° | 24.9° |
| C14 | N33 | C34 | C35 | 179.8° | 179.8° |
| C14 | N33 | C34 | C38 | 0.8° | 0.3° |
| N33 | C14 | N13 | C12 | 0.7° | 0.0° |
| N33 | C14 | N15 | H26 | 60.5° | 0.1° |
| N33 | C34 | C35 | C38 | 179.1° | 179.9° |
| N33 | C34 | C35 | C36 | 179.8° | 180.0° |
| C34 | N33 | C14 | N13 | 0.6° | 0.3° |
| N33 | C34 | C38 | C12 | 0.9° | 0.0° |
| N33 | C34 | C38 | S37 | 179.6° | 180.0° |
| N33 | C34 | C35 | H24 | 0.2° | 0.1° |
| N19 | C20 | C21 | C22 | 19.3° | 89.7° |
| N19 | C20 | C21 | H14 | 118.9° | 119.9° |
| N19 | C20 | C21 | H15 | 118.9° | 120.0° |
| C20 | N19 | C31 | C32 | 178.4° | 174.2° |
| N19 | C20 | C21 | C30 | 161.1° | 90.0° |
| C20 | N19 | C18 | H12 | 47.5° | 65.8° |
| C20 | N19 | C18 | H13 | 70.2° | 54.2° |
| N19 | C20 | H14 | H15 | 123.1° | 120.0° |
| C20 | N19 | C31 | H20 | 57.7° | 54.2° |
| C20 | N19 | C31 | H21 | 60.8° | 65.8° |
| C31 | N19 | C20 | C21 | 86.6° | 65.8° |
| N19 | C31 | C32 | H20 | 120.7° | 120.0° |
| N19 | C31 | C32 | H21 | 120.7° | 120.0° |
| C31 | N19 | C18 | H12 | 86.6° | 58.2° |
| C31 | N19 | C18 | H13 | 155.8° | 178.2° |
| C31 | N19 | C20 | H14 | 32.4° | 174.2° |
| C31 | N19 | C20 | H15 | 154.5° | 54.2° |
| N19 | C31 | H20 | H21 | 117.7° | 120.0° |
| N19 | C31 | C32 | H22 | 69.4° | 60.8° |
| N19 | C31 | C32 | H23 | 172.0° | 179.1° |
| C34 | C35 | C36 | H24 | 180.0° | 179.9° |
| C34 | C35 | C36 | S37 | 0.6° | 0.1° |
| C35 | C34 | C38 | C12 | 180.0° | 180.0° |
| C35 | C34 | C38 | S37 | 0.5° | 0.0° |
| C34 | C35 | C36 | H25 | 179.4° | 180.0° |
| C36 | C35 | C34 | C38 | 0.7° | 0.1° |
| C35 | C36 | S37 | H25 | 180.0° | 180.0° |
| C35 | C36 | S37 | C38 | 0.2° | 0.1° |
| C14 | N13 | C12 | C38 | 0.8° | 0.3° |
| C14 | N13 | C12 | O11 | 179.6° | 180.0° |
| N13 | C14 | N15 | H26 | 120.0° | 179.9° |
| C23 | C22 | C21 | H16 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 179.8° | 180.0° |
| C22 | C23 | C24 | H17 | 180.0° | 180.0° |
| C23 | C22 | C21 | C30 | 0.2° | 0.3° |
| C22 | C23 | C24 | S25 | 179.8° | 180.0° |
| C22 | C23 | C24 | C29 | 0.1° | 0.1° |
| C22 | C21 | C20 | C30 | 179.6° | 179.7° |
| C21 | C22 | C23 | C24 | 0.0° | 0.0° |
| C22 | C21 | C30 | C29 | 0.2° | 0.5° |
| C22 | C21 | C20 | H14 | 138.2° | 30.2° |
| C22 | C21 | C20 | H15 | 99.6° | 150.3° |
| C21 | C22 | C23 | H17 | 180.0° | 180.0° |
| C22 | C21 | C30 | H19 | 179.8° | 179.7° |
| C34 | C38 | S37 | C36 | 0.1° | 0.0° |
| C34 | C38 | C12 | N13 | 0.9° | 0.3° |
| C34 | C38 | C12 | S37 | 179.4° | 180.0° |
| C34 | C38 | C12 | O11 | 179.5° | 180.0° |
| C38 | C34 | C35 | H24 | 179.3° | 180.0° |
| C20 | C21 | C30 | C29 | 179.8° | 179.8° |
| C21 | C20 | H14 | H15 | 123.2° | 120.1° |
| C20 | C21 | C22 | H16 | 0.2° | 0.0° |
| C20 | C21 | C30 | H19 | 0.2° | 0.0° |
| C31 | C32 | C16 | H9 | 56.9° | 62.2° |
| C32 | C31 | H20 | H21 | 117.8° | 119.9° |
| C31 | C32 | H22 | H23 | 117.8° | 120.0° |
| C23 | C24 | S25 | N26 | 55.0° | 90.0° |
| C23 | C24 | S25 | C29 | 179.7° | 180.0° |
| C23 | C24 | C29 | C30 | 0.1° | 0.2° |
| C23 | C24 | S25 | O28 | 60.2° | 23.5° |
| C23 | C24 | S25 | O27 | 170.4° | 156.5° |
| C24 | C23 | C22 | H16 | 179.9° | 180.0° |
| C23 | C24 | C29 | H18 | 179.9° | 179.9° |
| N26 | S25 | C24 | O28 | 115.2° | 113.5° |
| N26 | S25 | C24 | O27 | 115.4° | 113.5° |
| N26 | S25 | C24 | C29 | 124.7° | 90.0° |
| N26 | S25 | O28 | O27 | 116.8° | 122.9° |
| S25 | N26 | H28 | H29 | 120.0° | 179.9° |
| C21 | C30 | C29 | C24 | 0.0° | 0.4° |
| C21 | C30 | C29 | H19 | 180.0° | 179.8° |
| C30 | C21 | C20 | H14 | 42.2° | 150.0° |
| C30 | C21 | C20 | H15 | 80.0° | 29.9° |
| C30 | C21 | C22 | H16 | 179.8° | 179.7° |
| C21 | C30 | C29 | H18 | 180.0° | 179.7° |
| C36 | S37 | C38 | C12 | 179.6° | 180.0° |
| S37 | C36 | C35 | H24 | 179.4° | 180.0° |
| N13 | C12 | C38 | O11 | 179.6° | 179.7° |
| N13 | C12 | C38 | S37 | 179.7° | 179.7° |
| N13 | C12 | O11 | C10 | 8.7° | 0.3° |
| S25 | C24 | C29 | C30 | 179.8° | 179.8° |
| C24 | S25 | O28 | O27 | 125.6° | 123.0° |
| S25 | C24 | C23 | H17 | 0.2° | 0.0° |
| S25 | C24 | C29 | H18 | 0.2° | 0.1° |
| C24 | S25 | N26 | H28 | 180.0° | 0.0° |
| C24 | S25 | N26 | H29 | 60.0° | 179.9° |
| C24 | C29 | C30 | H18 | 180.0° | 179.9° |
| C29 | C24 | S25 | O28 | 120.1° | 156.5° |
| C29 | C24 | S25 | O27 | 9.3° | 23.5° |
| C29 | C24 | C23 | H17 | 179.9° | 180.0° |
| C24 | C29 | C30 | H19 | 180.0° | 179.7° |
| C38 | C12 | O11 | C10 | 171.0° | 180.0° |
| S37 | C38 | C12 | O11 | 0.1° | 0.0° |
| C38 | S37 | C36 | H25 | 179.7° | 180.0° |
| C12 | O11 | C10 | C02 | 97.0° | 90.0° |
| C12 | O11 | C10 | C08 | 88.7° | 89.8° |
| O28 | S25 | N26 | H28 | 61.3° | 113.6° |
| O28 | S25 | N26 | H29 | 178.7° | 66.4° |
| O27 | S25 | N26 | H28 | 62.4° | 113.6° |
| O27 | S25 | N26 | H29 | 57.6° | 66.5° |
| C01 | C02 | C10 | O11 | 4.7° | 0.0° |
| C01 | C02 | C10 | C03 | 178.6° | 179.8° |
| C01 | C02 | C10 | C08 | 179.0° | 179.8° |
| C01 | C02 | C03 | C04 | 179.9° | 180.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C03 | H4 | 0.1° | 0.0° |
| O11 | C10 | C02 | C08 | 174.3° | 179.8° |
| O11 | C10 | C02 | C03 | 176.7° | 179.7° |
| O11 | C10 | C08 | C09 | 4.0° | 0.1° |
| O11 | C10 | C08 | C07 | 176.8° | 179.7° |
| C10 | C02 | C03 | C04 | 1.1° | 0.2° |
| C02 | C10 | C08 | C09 | 178.4° | 179.8° |
| C02 | C10 | C08 | C07 | 2.4° | 0.5° |
| C10 | C02 | C01 | H1 | 89.2° | 90.0° |
| C10 | C02 | C01 | H2 | 150.8° | 150.0° |
| C10 | C02 | C01 | H3 | 30.8° | 30.0° |
| C10 | C02 | C03 | H4 | 178.8° | 179.8° |
| C03 | C02 | C10 | C08 | 2.4° | 0.5° |
| C02 | C03 | C04 | H4 | 180.0° | 180.0° |
| C02 | C03 | C04 | C07 | 0.1° | 0.0° |
| C02 | C03 | C04 | C05 | 179.9° | 179.9° |
| C03 | C02 | C01 | H1 | 89.4° | 89.7° |
| C03 | C02 | C01 | H2 | 30.5° | 30.3° |
| C03 | C02 | C01 | H3 | 150.6° | 150.2° |
| C10 | C08 | C09 | C07 | 179.2° | 179.8° |
| C10 | C08 | C07 | C04 | 1.2° | 0.2° |
| C10 | C08 | C07 | H5 | 178.9° | 179.8° |
| C10 | C08 | C09 | H6 | 90.5° | 89.8° |
| C10 | C08 | C09 | H7 | 149.5° | 30.2° |
| C10 | C08 | C09 | H8 | 29.5° | 150.2° |
| C03 | C04 | C07 | C08 | 0.1° | 0.0° |
| C03 | C04 | C07 | C05 | 179.9° | 180.0° |
| C03 | C04 | C05 | N06 | 20.4° | 167.6° |
| C03 | C04 | C07 | H5 | 179.9° | 180.0° |
| C09 | C08 | C07 | C04 | 179.6° | 180.0° |
| C09 | C08 | C07 | H5 | 0.3° | 0.0° |
| C08 | C09 | H6 | H7 | 120.0° | 120.0° |
| C08 | C09 | H6 | H8 | 120.0° | 120.0° |
| C08 | C09 | H7 | H8 | 119.9° | 120.0° |
| C08 | C07 | C04 | H5 | 180.0° | 180.0° |
| C08 | C07 | C04 | C05 | 180.0° | 180.0° |
| C07 | C08 | C09 | H6 | 90.4° | 90.0° |
| C07 | C08 | C09 | H7 | 29.7° | 150.0° |
| C07 | C08 | C09 | H8 | 149.6° | 30.0° |
| C07 | C04 | C05 | N06 | 159.8° | 12.4° |
| C07 | C04 | C03 | H4 | 179.9° | 180.0° |
| C05 | C04 | C03 | H4 | 0.1° | 0.0° |
| C05 | C04 | C07 | H5 | 0.0° | 0.1° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H6 | C09 | H7 | H8 | 120.0° | 120.0° |
| H9 | C16 | C17 | H10 | 177.6° | 57.7° |
| H9 | C16 | C17 | H11 | 58.2° | 177.8° |
| H9 | C16 | C32 | H22 | 177.6° | 177.8° |
| H9 | C16 | C32 | H23 | 63.8° | 57.7° |
| H9 | C16 | N15 | H26 | 173.7° | 145.1° |
| H10 | C17 | C18 | H12 | 162.5° | 59.1° |
| H10 | C17 | C18 | H13 | 44.8° | 60.9° |
| H11 | C17 | C18 | H12 | 43.0° | 179.2° |
| H11 | C17 | C18 | H13 | 74.6° | 59.2° |
| H16 | C22 | C23 | H17 | 0.1° | 0.0° |
| H18 | C29 | C30 | H19 | 0.0° | 0.1° |
| H20 | C31 | C32 | H22 | 169.9° | 59.3° |
| H20 | C31 | C32 | H23 | 51.3° | 60.8° |
| H21 | C31 | C32 | H22 | 51.4° | 179.2° |
| H21 | C31 | C32 | H23 | 67.2° | 59.1° |
| H24 | C35 | C36 | H25 | 0.6° | 0.0° |
