59S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.21Å | 1.18Å | |
| C02 | C03 | sing | 1.51Å | 1.52Å | |
| C18 | C16 | sing | 1.53Å | 1.53Å | |
| C03 | N12 | sing | 1.47Å | 1.45Å | |
| C03 | C04 | sing | 1.53Å | 1.57Å | |
| C15 | C16 | sing | 1.53Å | 1.57Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| N12 | C13 | sing | 1.35Å | 1.48Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C04 | C05 | sing | 1.53Å | 1.61Å | |
| C13 | O39 | doub | 1.21Å | 1.18Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C14 | N19 | sing | 1.47Å | 1.46Å | |
| C05 | C06 | sing | 1.53Å | 1.43Å | |
| C05 | C10 | sing | 1.50Å | 1.59Å | |
| C06 | C07 | sing | 1.53Å | 1.45Å | |
| N19 | C20 | sing | 1.35Å | 1.48Å | |
| O11 | C10 | doub | 1.21Å | 1.19Å | |
| C07 | C08 | sing | 1.53Å | 1.48Å | |
| C10 | N09 | sing | 1.33Å | 1.54Å | |
| C20 | O38 | doub | 1.21Å | 1.18Å | |
| C20 | C21 | sing | 1.51Å | 1.53Å | |
| N09 | C08 | sing | 1.46Å | 1.52Å | |
| C24 | C22 | sing | 1.53Å | 1.57Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | N25 | sing | 1.46Å | 1.44Å | |
| C22 | C23 | sing | 1.53Å | 1.58Å | |
| N25 | C26 | sing | 1.35Å | 1.49Å | |
| O37 | C26 | doub | 1.22Å | 1.18Å | |
| C26 | C27 | sing | 1.46Å | 1.55Å | |
| C27 | C28 | doub | 1.35Å | 1.33Å | |
| C28 | C29 | sing | 1.47Å | 1.53Å | |
| C29 | C36 | doub | 1.40Å | 1.41Å | Aromatic |
| C29 | C30 | sing | 1.40Å | 1.38Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.37Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.39Å | 1.40Å | Aromatic |
| C32 | O33 | sing | 1.36Å | 1.41Å | |
| O33 | C34 | sing | 1.43Å | 1.41Å | |
| N12 | H1 | sing | 0.97Å | 1.00Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.08Å | 1.08Å | |
| C02 | H14 | sing | 1.08Å | 1.08Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C04 | H17 | sing | 1.09Å | 1.10Å | |
| C05 | H18 | sing | 1.09Å | 1.10Å | |
| C06 | H19 | sing | 1.09Å | 1.10Å | |
| C06 | H20 | sing | 1.09Å | 1.10Å | |
| C07 | H21 | sing | 1.09Å | 1.10Å | |
| C07 | H22 | sing | 1.09Å | 1.10Å | |
| C08 | H23 | sing | 1.09Å | 1.10Å | |
| C08 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.08Å | 1.08Å | |
| C30 | H35 | sing | 1.08Å | 1.08Å | |
| C31 | H36 | sing | 1.08Å | 1.08Å | |
| C34 | H37 | sing | 1.09Å | 1.10Å | |
| C34 | H38 | sing | 1.09Å | 1.10Å | |
| C34 | H39 | sing | 1.09Å | 1.10Å | |
| C35 | H40 | sing | 1.08Å | 1.08Å | |
| C36 | H41 | sing | 1.08Å | 1.08Å | |
| N09 | H42 | sing | 0.97Å | 1.00Å | |
| N19 | H43 | sing | 0.97Å | 1.00Å | |
| N25 | H44 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 120.7° | 120.0° |
| O01 | C02 | H14 | 119.6° | 120.0° |
| C02 | C03 | N12 | 113.8° | 109.5° |
| C02 | C03 | C04 | 114.8° | 109.5° |
| C03 | C02 | H14 | 119.6° | 120.0° |
| C02 | C03 | H15 | 107.9° | 109.5° |
| C18 | C16 | C15 | 108.8° | 109.5° |
| C18 | C16 | C17 | 110.2° | 109.5° |
| C18 | C16 | H26 | 109.4° | 109.5° |
| C16 | C18 | H27 | 109.5° | 109.5° |
| C16 | C18 | H28 | 109.5° | 109.5° |
| C16 | C18 | H29 | 109.5° | 109.5° |
| N12 | C03 | C04 | 104.0° | 109.5° |
| C03 | N12 | C13 | 114.0° | 120.0° |
| C03 | N12 | H1 | 123.0° | 120.0° |
| N12 | C03 | H15 | 108.7° | 109.5° |
| C03 | C04 | C05 | 107.8° | 109.5° |
| C04 | C03 | H15 | 107.3° | 109.4° |
| C03 | C04 | H16 | 109.9° | 109.5° |
| C03 | C04 | H17 | 109.9° | 109.5° |
| C16 | C15 | C14 | 112.7° | 109.5° |
| C15 | C16 | C17 | 110.2° | 109.5° |
| C16 | C15 | H2 | 108.6° | 109.5° |
| C16 | C15 | H3 | 108.6° | 109.5° |
| C15 | C16 | H26 | 109.0° | 109.5° |
| C15 | C14 | C13 | 110.7° | 109.5° |
| C15 | C14 | N19 | 110.7° | 109.4° |
| C14 | C15 | H2 | 108.6° | 109.5° |
| C14 | C15 | H3 | 108.7° | 109.4° |
| C15 | C14 | H25 | 109.5° | 109.5° |
| N12 | C13 | O39 | 118.2° | 120.0° |
| N12 | C13 | C14 | 122.1° | 120.0° |
| C13 | N12 | H1 | 123.0° | 120.0° |
| C16 | C17 | H4 | 109.5° | 109.4° |
| C16 | C17 | H5 | 109.5° | 109.5° |
| C16 | C17 | H6 | 109.5° | 109.5° |
| C17 | C16 | H26 | 109.2° | 109.4° |
| C04 | C05 | C06 | 106.3° | 109.4° |
| C04 | C05 | C10 | 108.9° | 109.4° |
| C05 | C04 | H16 | 109.9° | 109.4° |
| C05 | C04 | H17 | 109.9° | 109.4° |
| C04 | C05 | H18 | 107.1° | 109.4° |
| O39 | C13 | C14 | 119.8° | 120.0° |
| C13 | C14 | N19 | 105.9° | 109.5° |
| C13 | C14 | H25 | 109.6° | 109.5° |
| C14 | N19 | C20 | 116.9° | 120.0° |
| N19 | C14 | H25 | 110.5° | 109.5° |
| C14 | N19 | H43 | 121.6° | 120.0° |
| C06 | C05 | C10 | 117.5° | 109.9° |
| C05 | C06 | C07 | 114.9° | 108.4° |
| C06 | C05 | H18 | 109.3° | 109.3° |
| C05 | C06 | H19 | 108.1° | 109.6° |
| C05 | C06 | H20 | 108.1° | 109.6° |
| C05 | C10 | O11 | 119.9° | 118.3° |
| C05 | C10 | N09 | 118.1° | 123.5° |
| C10 | C05 | H18 | 107.4° | 109.4° |
| C06 | C07 | C08 | 111.7° | 108.7° |
| C07 | C06 | H19 | 108.1° | 109.7° |
| C07 | C06 | H20 | 108.1° | 109.7° |
| C06 | C07 | H21 | 108.9° | 109.6° |
| C06 | C07 | H22 | 108.9° | 109.6° |
| N19 | C20 | O38 | 121.4° | 120.0° |
| N19 | C20 | C21 | 119.0° | 120.0° |
| C20 | N19 | H43 | 121.5° | 120.0° |
| O11 | C10 | N09 | 122.0° | 118.2° |
| C07 | C08 | N09 | 112.6° | 110.5° |
| C08 | C07 | H21 | 108.9° | 109.6° |
| C08 | C07 | H22 | 108.9° | 109.6° |
| C07 | C08 | H23 | 108.7° | 109.3° |
| C07 | C08 | H24 | 108.7° | 109.3° |
| C10 | N09 | C08 | 113.8° | 124.1° |
| C10 | N09 | H42 | 123.1° | 118.0° |
| O38 | C20 | C21 | 119.6° | 120.0° |
| C20 | C21 | C22 | 110.4° | 109.5° |
| C20 | C21 | N25 | 110.0° | 109.5° |
| C20 | C21 | H7 | 109.7° | 109.4° |
| N09 | C08 | H23 | 108.7° | 109.3° |
| N09 | C08 | H24 | 108.7° | 109.1° |
| C08 | N09 | H42 | 123.1° | 117.9° |
| C24 | C22 | C21 | 111.8° | 109.4° |
| C24 | C22 | C23 | 111.7° | 109.5° |
| C24 | C22 | H8 | 108.3° | 109.5° |
| C22 | C24 | H9 | 109.5° | 109.5° |
| C22 | C24 | H10 | 109.4° | 109.5° |
| C22 | C24 | H11 | 109.4° | 109.5° |
| C22 | C21 | N25 | 106.1° | 109.5° |
| C21 | C22 | C23 | 108.0° | 109.4° |
| C22 | C21 | H7 | 109.6° | 109.5° |
| C21 | C22 | H8 | 108.7° | 109.5° |
| C21 | N25 | C26 | 118.1° | 120.0° |
| N25 | C21 | H7 | 111.0° | 109.5° |
| C21 | N25 | H44 | 120.9° | 120.1° |
| C23 | C22 | H8 | 108.2° | 109.5° |
| C22 | C23 | H30 | 109.5° | 109.5° |
| C22 | C23 | H31 | 109.4° | 109.4° |
| C22 | C23 | H32 | 109.5° | 109.5° |
| N25 | C26 | O37 | 119.4° | 120.0° |
| N25 | C26 | C27 | 121.9° | 120.0° |
| C26 | N25 | H44 | 120.9° | 120.0° |
| O37 | C26 | C27 | 118.4° | 119.9° |
| C26 | C27 | C28 | 91.0° | 120.0° |
| C26 | C27 | H33 | 134.5° | 120.0° |
| C27 | C28 | C29 | 126.4° | 120.0° |
| C27 | C28 | H12 | 116.8° | 120.0° |
| C28 | C27 | H33 | 134.5° | 120.0° |
| C28 | C29 | C36 | 114.6° | 120.1° |
| C28 | C29 | C30 | 124.1° | 120.1° |
| C29 | C28 | H12 | 116.8° | 120.0° |
| C36 | C29 | C30 | 121.2° | 119.8° |
| C29 | C36 | C35 | 120.5° | 119.8° |
| C29 | C36 | H41 | 119.8° | 120.1° |
| C29 | C30 | C31 | 118.2° | 119.9° |
| C29 | C30 | H35 | 120.9° | 120.1° |
| C36 | C35 | C32 | 119.1° | 120.1° |
| C36 | C35 | H40 | 120.4° | 119.9° |
| C35 | C36 | H41 | 119.8° | 120.0° |
| C30 | C31 | C32 | 120.6° | 120.1° |
| C31 | C30 | H35 | 120.9° | 120.1° |
| C30 | C31 | H36 | 119.7° | 119.9° |
| C35 | C32 | C31 | 120.3° | 120.3° |
| C35 | C32 | O33 | 118.4° | 119.8° |
| C32 | C35 | H40 | 120.4° | 120.0° |
| C31 | C32 | O33 | 121.3° | 119.9° |
| C32 | C31 | H36 | 119.7° | 120.0° |
| C32 | O33 | C34 | 113.2° | 117.0° |
| O33 | C34 | H37 | 109.5° | 109.5° |
| O33 | C34 | H38 | 109.5° | 109.5° |
| O33 | C34 | H39 | 109.5° | 109.5° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H4 | C17 | H5 | 109.4° | 109.4° |
| H4 | C17 | H6 | 109.5° | 109.4° |
| H5 | C17 | H6 | 109.5° | 109.5° |
| H9 | C24 | H10 | 109.5° | 109.4° |
| H9 | C24 | H11 | 109.5° | 109.5° |
| H10 | C24 | H11 | 109.5° | 109.5° |
| H16 | C04 | H17 | 109.5° | 109.5° |
| H19 | C06 | H20 | 109.5° | 109.8° |
| H21 | C07 | H22 | 109.5° | 109.8° |
| H23 | C08 | H24 | 109.5° | 109.3° |
| H27 | C18 | H28 | 109.4° | 109.5° |
| H27 | C18 | H29 | 109.5° | 109.4° |
| H28 | C18 | H29 | 109.5° | 109.5° |
| H30 | C23 | H31 | 109.5° | 109.4° |
| H30 | C23 | H32 | 109.5° | 109.5° |
| H31 | C23 | H32 | 109.5° | 109.5° |
| H37 | C34 | H38 | 109.5° | 109.5° |
| H37 | C34 | H39 | 109.4° | 109.4° |
| H38 | C34 | H39 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | H14 | 180.0° | 180.0° |
| O01 | C02 | C03 | N12 | 104.3° | 0.0° |
| O01 | C02 | C03 | C04 | 15.4° | 120.0° |
| O01 | C02 | C03 | H15 | 135.0° | 120.1° |
| C02 | C03 | N12 | C04 | 125.6° | 120.0° |
| C02 | C03 | N12 | H15 | 120.3° | 120.0° |
| C02 | C03 | C04 | H15 | 119.9° | 120.0° |
| C02 | C03 | N12 | C13 | 108.4° | 85.9° |
| C02 | C03 | C04 | C05 | 162.3° | 177.2° |
| C02 | C03 | N12 | H1 | 71.6° | 94.1° |
| C02 | C03 | C04 | H16 | 77.9° | 62.8° |
| C02 | C03 | C04 | H17 | 42.6° | 57.3° |
| C18 | C16 | C15 | C17 | 120.9° | 120.0° |
| C18 | C16 | C15 | H26 | 119.2° | 120.0° |
| C18 | C16 | C15 | C14 | 177.6° | 65.0° |
| C18 | C16 | C17 | H26 | 120.2° | 120.0° |
| C18 | C16 | C15 | H2 | 61.9° | 175.0° |
| C18 | C16 | C15 | H3 | 57.1° | 55.0° |
| C18 | C16 | C17 | H4 | 180.0° | 60.0° |
| C18 | C16 | C17 | H5 | 60.0° | 59.9° |
| C18 | C16 | C17 | H6 | 60.0° | 180.0° |
| C16 | C18 | H27 | H28 | 120.0° | 120.0° |
| C16 | C18 | H27 | H29 | 120.0° | 120.0° |
| C16 | C18 | H28 | H29 | 120.0° | 120.0° |
| N12 | C03 | C04 | H15 | 115.1° | 120.0° |
| C03 | N12 | C13 | H1 | 180.0° | 179.9° |
| N12 | C03 | C04 | C05 | 72.7° | 62.7° |
| C03 | N12 | C13 | O39 | 1.6° | 0.1° |
| C03 | N12 | C13 | C14 | 177.9° | 180.0° |
| N12 | C03 | C02 | H14 | 75.7° | 180.0° |
| N12 | C03 | C04 | H16 | 47.1° | 57.2° |
| N12 | C03 | C04 | H17 | 167.6° | 177.3° |
| C04 | C03 | N12 | C13 | 126.0° | 154.1° |
| C03 | C04 | C05 | H16 | 119.7° | 120.0° |
| C03 | C04 | C05 | H17 | 119.7° | 120.0° |
| C03 | C04 | C05 | C06 | 50.8° | 63.9° |
| C03 | C04 | C05 | C10 | 178.2° | 175.7° |
| C04 | C03 | N12 | H1 | 54.0° | 25.9° |
| C04 | C03 | C02 | H14 | 164.6° | 60.0° |
| C03 | C04 | H16 | H17 | 120.8° | 120.1° |
| C03 | C04 | C05 | H18 | 66.0° | 55.8° |
| C16 | C15 | C14 | H2 | 120.5° | 120.1° |
| C16 | C15 | C14 | H3 | 120.5° | 120.0° |
| C15 | C16 | C17 | H26 | 119.7° | 120.0° |
| C16 | C15 | C14 | C13 | 166.6° | 175.0° |
| C16 | C15 | C14 | N19 | 49.5° | 65.0° |
| C16 | C15 | H2 | H3 | 118.5° | 120.0° |
| C15 | C16 | C17 | H4 | 60.0° | 60.0° |
| C15 | C16 | C17 | H5 | 179.9° | 180.0° |
| C15 | C16 | C17 | H6 | 60.1° | 59.9° |
| C16 | C15 | C14 | H25 | 72.5° | 54.9° |
| C15 | C16 | C18 | H27 | 180.0° | 60.0° |
| C15 | C16 | C18 | H28 | 60.0° | 60.0° |
| C15 | C16 | C18 | H29 | 60.0° | 180.0° |
| C15 | C14 | C13 | N12 | 95.8° | 60.1° |
| C14 | C15 | C16 | C17 | 61.5° | 175.0° |
| C15 | C14 | C13 | O39 | 84.8° | 120.0° |
| C15 | C14 | C13 | N19 | 120.0° | 120.0° |
| C15 | C14 | C13 | H25 | 120.9° | 120.1° |
| C15 | C14 | N19 | H25 | 121.5° | 120.0° |
| C15 | C14 | N19 | C20 | 160.3° | 84.9° |
| C14 | C15 | H2 | H3 | 118.5° | 119.9° |
| C14 | C15 | C16 | H26 | 58.4° | 55.1° |
| C15 | C14 | N19 | H43 | 19.7° | 95.0° |
| N12 | C13 | O39 | C14 | 179.5° | 179.9° |
| N12 | C13 | C14 | N19 | 144.2° | 180.0° |
| C13 | N12 | C03 | H15 | 11.9° | 34.2° |
| N12 | C13 | C14 | H25 | 25.1° | 60.0° |
| C17 | C16 | C15 | H2 | 59.0° | 54.9° |
| C17 | C16 | C15 | H3 | 178.1° | 65.1° |
| C16 | C17 | H4 | H5 | 120.0° | 120.0° |
| C16 | C17 | H4 | H6 | 120.0° | 120.0° |
| C16 | C17 | H5 | H6 | 120.0° | 120.1° |
| C17 | C16 | C18 | H27 | 59.1° | 60.0° |
| C17 | C16 | C18 | H28 | 179.0° | 180.0° |
| C17 | C16 | C18 | H29 | 61.0° | 59.9° |
| C04 | C05 | C06 | C10 | 122.1° | 120.2° |
| C04 | C05 | C06 | H18 | 115.3° | 119.8° |
| C04 | C05 | C10 | H18 | 115.7° | 119.8° |
| C04 | C05 | C06 | C07 | 99.8° | 169.1° |
| C04 | C05 | C10 | O11 | 53.5° | 42.5° |
| C04 | C05 | C10 | N09 | 126.7° | 137.7° |
| C05 | C04 | C03 | H15 | 42.4° | 57.3° |
| C05 | C04 | H16 | H17 | 120.8° | 119.9° |
| C04 | C05 | C06 | H19 | 20.9° | 49.3° |
| C04 | C05 | C06 | H20 | 139.3° | 71.2° |
| O39 | C13 | C14 | N19 | 35.2° | 0.0° |
| O39 | C13 | N12 | H1 | 178.4° | 180.0° |
| O39 | C13 | C14 | H25 | 154.4° | 119.9° |
| C13 | C14 | N19 | H25 | 118.6° | 120.0° |
| C13 | C14 | N19 | C20 | 79.7° | 155.1° |
| C14 | C13 | N12 | H1 | 2.1° | 0.1° |
| C13 | C14 | C15 | H2 | 73.0° | 64.9° |
| C13 | C14 | C15 | H3 | 46.1° | 55.0° |
| C13 | C14 | N19 | H43 | 100.3° | 25.0° |
| C14 | N19 | C20 | H43 | 180.0° | 179.9° |
| C14 | N19 | C20 | O38 | 0.6° | 5.4° |
| C14 | N19 | C20 | C21 | 180.0° | 174.7° |
| N19 | C14 | C15 | H2 | 170.0° | 55.0° |
| N19 | C14 | C15 | H3 | 71.0° | 175.0° |
| C06 | C05 | C10 | H18 | 123.6° | 120.0° |
| C05 | C06 | C07 | H19 | 120.8° | 119.7° |
| C05 | C06 | C07 | H20 | 120.8° | 119.7° |
| C06 | C05 | C10 | O11 | 174.3° | 162.7° |
| C05 | C06 | C07 | C08 | 58.2° | 67.5° |
| C06 | C05 | C10 | N09 | 6.0° | 17.6° |
| C06 | C05 | C04 | H16 | 170.5° | 176.1° |
| C06 | C05 | C04 | H17 | 68.9° | 56.2° |
| C05 | C06 | H19 | H20 | 117.5° | 120.5° |
| C05 | C06 | C07 | H21 | 62.2° | 172.7° |
| C05 | C06 | C07 | H22 | 178.5° | 52.2° |
| C10 | C05 | C06 | C07 | 22.3° | 48.9° |
| C05 | C10 | O11 | N09 | 179.7° | 179.7° |
| C05 | C10 | N09 | C08 | 0.5° | 2.2° |
| C10 | C05 | C04 | H16 | 62.1° | 55.6° |
| C10 | C05 | C04 | H17 | 58.5° | 64.3° |
| C10 | C05 | C06 | H19 | 143.0° | 70.8° |
| C10 | C05 | C06 | H20 | 98.5° | 168.6° |
| C05 | C10 | N09 | H42 | 179.6° | 177.8° |
| C06 | C07 | C08 | H21 | 120.3° | 119.8° |
| C06 | C07 | C08 | H22 | 120.3° | 119.7° |
| C06 | C07 | C08 | N09 | 64.6° | 50.7° |
| C07 | C06 | C05 | H18 | 144.8° | 71.2° |
| C07 | C06 | H19 | H20 | 117.6° | 120.5° |
| C06 | C07 | H21 | H22 | 119.0° | 120.4° |
| C06 | C07 | C08 | H23 | 174.9° | 69.6° |
| C06 | C07 | C08 | H24 | 55.8° | 170.9° |
| N19 | C20 | O38 | C21 | 179.4° | 179.9° |
| N19 | C20 | C21 | C22 | 113.4° | 80.3° |
| N19 | C20 | C21 | N25 | 129.8° | 159.7° |
| N19 | C20 | C21 | H7 | 7.4° | 39.6° |
| C20 | N19 | C14 | H25 | 38.9° | 35.1° |
| O11 | C10 | N09 | C08 | 179.3° | 178.1° |
| O11 | C10 | C05 | H18 | 62.2° | 77.3° |
| O11 | C10 | N09 | H42 | 0.7° | 1.9° |
| C07 | C08 | N09 | C10 | 34.0° | 19.1° |
| C07 | C08 | N09 | H23 | 120.5° | 120.3° |
| C07 | C08 | N09 | H24 | 120.5° | 120.2° |
| C08 | C07 | C06 | H19 | 178.9° | 52.2° |
| C08 | C07 | C06 | H20 | 62.6° | 172.8° |
| C08 | C07 | H21 | H22 | 119.0° | 120.4° |
| C07 | C08 | H23 | H24 | 118.6° | 119.5° |
| C07 | C08 | N09 | H42 | 146.0° | 160.9° |
| C10 | N09 | C08 | H42 | 180.0° | 180.0° |
| N09 | C10 | C05 | H18 | 117.6° | 102.4° |
| C10 | N09 | C08 | H23 | 154.5° | 101.3° |
| C10 | N09 | C08 | H24 | 86.5° | 139.3° |
| O38 | C20 | C21 | C22 | 67.2° | 99.6° |
| O38 | C20 | C21 | N25 | 49.5° | 20.4° |
| O38 | C20 | C21 | H7 | 171.9° | 140.5° |
| O38 | C20 | N19 | H43 | 179.4° | 174.7° |
| C20 | C21 | C22 | C24 | 60.2° | 174.4° |
| C20 | C21 | C22 | N25 | 119.1° | 120.0° |
| C20 | C21 | C22 | H7 | 120.9° | 120.0° |
| C20 | C21 | N25 | H7 | 121.6° | 120.0° |
| C20 | C21 | C22 | C23 | 176.5° | 65.7° |
| C20 | C21 | N25 | C26 | 116.6° | 155.0° |
| C20 | C21 | C22 | H8 | 59.3° | 54.4° |
| C21 | C20 | N19 | H43 | 0.1° | 5.2° |
| C20 | C21 | N25 | H44 | 63.4° | 25.0° |
| N09 | C08 | C07 | H21 | 55.7° | 170.5° |
| N09 | C08 | C07 | H22 | 175.0° | 69.0° |
| N09 | C08 | H23 | H24 | 118.6° | 119.4° |
| C24 | C22 | C21 | C23 | 123.2° | 120.0° |
| C24 | C22 | C21 | H8 | 119.6° | 120.0° |
| C24 | C22 | C21 | N25 | 179.4° | 65.7° |
| C24 | C22 | C23 | H8 | 119.2° | 120.0° |
| C24 | C22 | C21 | H7 | 60.7° | 54.4° |
| C22 | C24 | H9 | H10 | 120.0° | 120.0° |
| C22 | C24 | H9 | H11 | 120.0° | 120.0° |
| C22 | C24 | H10 | H11 | 120.0° | 120.1° |
| C24 | C22 | C23 | H30 | 180.0° | 180.0° |
| C24 | C22 | C23 | H31 | 60.0° | 60.0° |
| C24 | C22 | C23 | H32 | 60.0° | 60.0° |
| C22 | C21 | N25 | H7 | 119.0° | 120.0° |
| C21 | C22 | C23 | H8 | 117.5° | 120.0° |
| C22 | C21 | N25 | C26 | 124.0° | 85.1° |
| C21 | C22 | C24 | H9 | 180.0° | 66.4° |
| C21 | C22 | C24 | H10 | 60.0° | 173.7° |
| C21 | C22 | C24 | H11 | 60.0° | 53.6° |
| C21 | C22 | C23 | H30 | 56.7° | 60.1° |
| C21 | C22 | C23 | H31 | 176.7° | 180.0° |
| C21 | C22 | C23 | H32 | 63.3° | 60.0° |
| C22 | C21 | N25 | H44 | 56.0° | 95.0° |
| N25 | C21 | C22 | C23 | 57.4° | 54.3° |
| C21 | N25 | C26 | H44 | 180.0° | 179.9° |
| C21 | N25 | C26 | O37 | 2.2° | 0.1° |
| C21 | N25 | C26 | C27 | 176.3° | 180.0° |
| N25 | C21 | C22 | H8 | 59.8° | 174.4° |
| C23 | C22 | C21 | H7 | 62.5° | 174.4° |
| C23 | C22 | C24 | H9 | 58.9° | 53.6° |
| C23 | C22 | C24 | H10 | 178.9° | 66.4° |
| C23 | C22 | C24 | H11 | 61.1° | 173.6° |
| C22 | C23 | H30 | H31 | 120.0° | 119.9° |
| C22 | C23 | H30 | H32 | 120.0° | 120.1° |
| C22 | C23 | H31 | H32 | 120.0° | 120.0° |
| N25 | C26 | O37 | C27 | 174.3° | 179.9° |
| N25 | C26 | C27 | C28 | 106.6° | 179.9° |
| C26 | N25 | C21 | H7 | 5.0° | 35.0° |
| N25 | C26 | C27 | H33 | 73.3° | 0.0° |
| O37 | C26 | C27 | C28 | 67.5° | 0.0° |
| O37 | C26 | C27 | H33 | 112.5° | 179.9° |
| O37 | C26 | N25 | H44 | 177.9° | 180.0° |
| C26 | C27 | C28 | H33 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 179.5° | 180.0° |
| C26 | C27 | C28 | H12 | 0.4° | 0.0° |
| C27 | C26 | N25 | H44 | 3.8° | 0.0° |
| C27 | C28 | C29 | H12 | 180.0° | 180.0° |
| C27 | C28 | C29 | C36 | 174.1° | 180.0° |
| C27 | C28 | C29 | C30 | 5.8° | 0.3° |
| C28 | C29 | C36 | C30 | 179.9° | 179.8° |
| C28 | C29 | C36 | C35 | 179.9° | 179.7° |
| C28 | C29 | C30 | C31 | 179.9° | 180.0° |
| C29 | C28 | C27 | H33 | 0.5° | 0.0° |
| C28 | C29 | C30 | H35 | 0.0° | 0.1° |
| C28 | C29 | C36 | H41 | 0.1° | 0.1° |
| C29 | C36 | C35 | H41 | 180.0° | 179.8° |
| C36 | C29 | C30 | C31 | 0.1° | 0.2° |
| C29 | C36 | C35 | C32 | 0.2° | 0.5° |
| C36 | C29 | C28 | H12 | 5.9° | 0.0° |
| C36 | C29 | C30 | H35 | 179.9° | 179.8° |
| C29 | C36 | C35 | H40 | 179.8° | 179.8° |
| C30 | C29 | C36 | C35 | 0.1° | 0.5° |
| C29 | C30 | C31 | H35 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.3° | 0.0° |
| C30 | C29 | C28 | H12 | 174.3° | 179.8° |
| C29 | C30 | C31 | H36 | 179.7° | 180.0° |
| C30 | C29 | C36 | H41 | 179.9° | 179.7° |
| C36 | C35 | C32 | H40 | 180.0° | 179.7° |
| C36 | C35 | C32 | C31 | 0.4° | 0.3° |
| C36 | C35 | C32 | O33 | 179.8° | 179.7° |
| C30 | C31 | C32 | C35 | 0.4° | 0.0° |
| C30 | C31 | C32 | H36 | 180.0° | 180.0° |
| C30 | C31 | C32 | O33 | 179.7° | 180.0° |
| C35 | C32 | C31 | O33 | 179.8° | 180.0° |
| C35 | C32 | O33 | C34 | 30.9° | 0.1° |
| C35 | C32 | C31 | H36 | 179.6° | 179.9° |
| C32 | C35 | C36 | H41 | 179.8° | 179.7° |
| C31 | C32 | O33 | C34 | 149.2° | 179.9° |
| C32 | C31 | C30 | H35 | 179.7° | 179.9° |
| C31 | C32 | C35 | H40 | 179.6° | 180.0° |
| O33 | C32 | C31 | H36 | 0.3° | 0.0° |
| C32 | O33 | C34 | H37 | 180.0° | 180.0° |
| C32 | O33 | C34 | H38 | 60.0° | 60.0° |
| C32 | O33 | C34 | H39 | 60.0° | 60.0° |
| O33 | C32 | C35 | H40 | 0.2° | 0.0° |
| O33 | C34 | H37 | H38 | 120.0° | 120.1° |
| O33 | C34 | H37 | H39 | 120.0° | 120.0° |
| O33 | C34 | H38 | H39 | 120.0° | 120.0° |
| H1 | N12 | C03 | H15 | 168.1° | 145.9° |
| H2 | C15 | C14 | H25 | 48.0° | 175.0° |
| H2 | C15 | C16 | H26 | 178.9° | 65.0° |
| H3 | C15 | C14 | H25 | 167.0° | 65.0° |
| H3 | C15 | C16 | H26 | 62.1° | 175.0° |
| H4 | C17 | H5 | H6 | 120.0° | 120.0° |
| H4 | C17 | C16 | H26 | 59.8° | 180.0° |
| H5 | C17 | C16 | H26 | 60.2° | 60.0° |
| H6 | C17 | C16 | H26 | 179.8° | 60.1° |
| H7 | C21 | C22 | H8 | 179.7° | 65.6° |
| H7 | C21 | N25 | H44 | 175.0° | 145.0° |
| H8 | C22 | C24 | H9 | 60.2° | 173.6° |
| H8 | C22 | C24 | H10 | 59.8° | 53.7° |
| H8 | C22 | C24 | H11 | 179.8° | 66.4° |
| H8 | C22 | C23 | H30 | 60.8° | 59.9° |
| H8 | C22 | C23 | H31 | 59.2° | 60.0° |
| H8 | C22 | C23 | H32 | 179.2° | 180.0° |
| H9 | C24 | H10 | H11 | 120.0° | 120.0° |
| H12 | C28 | C27 | H33 | 179.5° | 180.0° |
| H14 | C02 | C03 | H15 | 45.0° | 60.0° |
| H15 | C03 | C04 | H16 | 162.2° | 177.2° |
| H15 | C03 | C04 | H17 | 77.3° | 62.7° |
| H16 | C04 | C05 | H18 | 53.7° | 64.2° |
| H17 | C04 | C05 | H18 | 174.3° | 175.9° |
| H18 | C05 | C06 | H19 | 94.4° | 169.1° |
| H18 | C05 | C06 | H20 | 24.0° | 48.5° |
| H19 | C06 | C07 | H21 | 58.6° | 67.6° |
| H19 | C06 | C07 | H22 | 60.7° | 171.9° |
| H20 | C06 | C07 | H21 | 177.0° | 53.0° |
| H20 | C06 | C07 | H22 | 57.7° | 67.5° |
| H21 | C07 | C08 | H23 | 64.8° | 50.2° |
| H21 | C07 | C08 | H24 | 176.1° | 69.4° |
| H22 | C07 | C08 | H23 | 54.6° | 170.7° |
| H22 | C07 | C08 | H24 | 64.5° | 51.2° |
| H23 | C08 | N09 | H42 | 25.5° | 78.8° |
| H24 | C08 | N09 | H42 | 93.5° | 40.7° |
| H25 | C14 | N19 | H43 | 141.1° | 145.0° |
| H26 | C16 | C18 | H27 | 61.0° | 179.9° |
| H26 | C16 | C18 | H28 | 58.9° | 60.0° |
| H26 | C16 | C18 | H29 | 178.9° | 60.0° |
| H27 | C18 | H28 | H29 | 120.0° | 119.9° |
| H30 | C23 | H31 | H32 | 120.0° | 120.0° |
| H35 | C30 | C31 | H36 | 0.3° | 0.0° |
| H37 | C34 | H38 | H39 | 120.0° | 119.9° |
| H40 | C35 | C36 | H41 | 0.2° | 0.1° |
