TKV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| C09 | C08 | sing | 1.53Å | 1.56Å | |
| C09 | C11 | sing | 1.53Å | 1.55Å | |
| C08 | C07 | sing | 1.53Å | 1.55Å | |
| O24 | C12 | doub | 1.21Å | 1.25Å | |
| C26 | C02 | sing | 1.53Å | 1.53Å | |
| N06 | C07 | sing | 1.46Å | 1.49Å | |
| N06 | C05 | sing | 1.35Å | 1.40Å | |
| O23 | C22 | sing | 1.43Å | 1.43Å | |
| C07 | C12 | sing | 1.51Å | 1.57Å | |
| O04 | C05 | sing | 1.35Å | 1.41Å | |
| O04 | C03 | sing | 1.45Å | 1.45Å | |
| C12 | N13 | sing | 1.35Å | 1.39Å | |
| C05 | O25 | doub | 1.22Å | 1.24Å | |
| C02 | C03 | sing | 1.53Å | 1.62Å | |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| C02 | C27 | sing | 1.51Å | 1.61Å | |
| C33 | C27 | doub | 1.38Å | 1.42Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.44Å | Aromatic |
| N13 | C14 | sing | 1.47Å | 1.52Å | |
| C14 | C22 | sing | 1.53Å | 1.57Å | |
| C14 | C15 | sing | 1.53Å | 1.57Å | |
| C20 | C19 | sing | 1.55Å | 1.54Å | |
| C20 | C16 | sing | 1.55Å | 1.53Å | |
| C27 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | N18 | sing | 1.47Å | 1.50Å | |
| C32 | C31 | doub | 1.38Å | 1.42Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.60Å | |
| C16 | C17 | sing | 1.51Å | 1.49Å | |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| N18 | C17 | sing | 1.34Å | 1.43Å | |
| C31 | C29 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | O21 | doub | 1.21Å | 1.24Å | |
| C29 | CL3 | sing | 1.74Å | 1.80Å | |
| C22 | S1 | sing | 1.81Å | 1.80Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C31 | H29 | sing | 1.08Å | 1.08Å | |
| C32 | H30 | sing | 1.08Å | 1.08Å | |
| C33 | H31 | sing | 1.08Å | 1.08Å | |
| N06 | H32 | sing | 0.97Å | 1.00Å | |
| N13 | H33 | sing | 0.97Å | 1.00Å | |
| N18 | H34 | sing | 0.97Å | 1.00Å | |
| O23 | H35 | sing | 0.97Å | 0.95Å | |
| S1 | H36 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C09 | C08 | 110.3° | 109.5° |
| C10 | C09 | C11 | 110.6° | 109.5° |
| C10 | C09 | H9 | 108.6° | 109.5° |
| C09 | C10 | H10 | 109.5° | 109.5° |
| C09 | C10 | H11 | 109.5° | 109.5° |
| C09 | C10 | H12 | 109.5° | 109.5° |
| C08 | C09 | C11 | 110.5° | 109.5° |
| C09 | C08 | C07 | 112.1° | 109.5° |
| C09 | C08 | H7 | 108.8° | 109.5° |
| C09 | C08 | H8 | 108.8° | 109.4° |
| C08 | C09 | H9 | 108.3° | 109.4° |
| C11 | C09 | H9 | 108.5° | 109.5° |
| C09 | C11 | H13 | 109.5° | 109.5° |
| C09 | C11 | H14 | 109.4° | 109.5° |
| C09 | C11 | H15 | 109.5° | 109.5° |
| C08 | C07 | N06 | 109.5° | 109.5° |
| C08 | C07 | C12 | 107.8° | 109.4° |
| C08 | C07 | H6 | 109.2° | 109.4° |
| C07 | C08 | H7 | 108.8° | 109.5° |
| C07 | C08 | H8 | 108.8° | 109.5° |
| O24 | C12 | C07 | 118.2° | 120.0° |
| O24 | C12 | N13 | 116.8° | 120.0° |
| C26 | C02 | C03 | 107.2° | 109.5° |
| C26 | C02 | C01 | 109.2° | 109.5° |
| C26 | C02 | C27 | 109.8° | 109.4° |
| C02 | C26 | H25 | 109.5° | 109.5° |
| C02 | C26 | H26 | 109.5° | 109.5° |
| C02 | C26 | H27 | 109.4° | 109.4° |
| C07 | N06 | C05 | 121.2° | 120.0° |
| N06 | C07 | C12 | 111.3° | 109.5° |
| N06 | C07 | H6 | 110.1° | 109.5° |
| C07 | N06 | H32 | 119.4° | 120.0° |
| N06 | C05 | O04 | 119.0° | 120.0° |
| N06 | C05 | O25 | 122.2° | 120.0° |
| C05 | N06 | H32 | 119.4° | 120.0° |
| O23 | C22 | C14 | 105.9° | 109.4° |
| O23 | C22 | S1 | 107.6° | 109.4° |
| O23 | C22 | H24 | 113.6° | 109.5° |
| C22 | O23 | H35 | 109.5° | 114.0° |
| C07 | C12 | N13 | 125.0° | 120.0° |
| C12 | C07 | H6 | 109.0° | 109.5° |
| C05 | O04 | C03 | 118.3° | 117.0° |
| O04 | C05 | O25 | 118.8° | 120.0° |
| O04 | C03 | C02 | 108.4° | 109.5° |
| O04 | C03 | H4 | 109.8° | 109.4° |
| O04 | C03 | H5 | 109.7° | 109.5° |
| C12 | N13 | C14 | 122.6° | 120.0° |
| C12 | N13 | H33 | 118.7° | 120.1° |
| C03 | C02 | C01 | 107.7° | 109.5° |
| C03 | C02 | C27 | 109.9° | 109.5° |
| C02 | C03 | H4 | 109.7° | 109.5° |
| C02 | C03 | H5 | 109.7° | 109.5° |
| C01 | C02 | C27 | 112.9° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.4° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.4° | 109.4° |
| C02 | C27 | C33 | 123.2° | 120.0° |
| C02 | C27 | C28 | 119.0° | 120.0° |
| C27 | C33 | C32 | 121.0° | 120.0° |
| C33 | C27 | C28 | 117.8° | 120.0° |
| C27 | C33 | H31 | 119.5° | 120.0° |
| C33 | C32 | C31 | 119.9° | 120.0° |
| C33 | C32 | H30 | 120.0° | 120.0° |
| C32 | C33 | H31 | 119.5° | 120.0° |
| N13 | C14 | C22 | 105.3° | 109.4° |
| N13 | C14 | C15 | 112.3° | 109.5° |
| N13 | C14 | H16 | 110.3° | 109.5° |
| C14 | N13 | H33 | 118.7° | 120.0° |
| C22 | C14 | C15 | 109.8° | 109.5° |
| C14 | C22 | S1 | 109.7° | 109.5° |
| C22 | C14 | H16 | 109.5° | 109.5° |
| C14 | C22 | H24 | 111.4° | 109.5° |
| C14 | C15 | C16 | 112.6° | 109.5° |
| C15 | C14 | H16 | 109.6° | 109.5° |
| C14 | C15 | H17 | 108.7° | 109.4° |
| C14 | C15 | H18 | 108.7° | 109.5° |
| C19 | C20 | C16 | 106.4° | 101.7° |
| C20 | C19 | N18 | 106.4° | 105.4° |
| C20 | C19 | H20 | 110.2° | 110.2° |
| C20 | C19 | H21 | 110.2° | 110.3° |
| C19 | C20 | H22 | 110.2° | 111.0° |
| C19 | C20 | H23 | 110.2° | 110.9° |
| C20 | C16 | C15 | 113.6° | 110.5° |
| C20 | C16 | C17 | 104.1° | 104.2° |
| C20 | C16 | H19 | 109.5° | 110.6° |
| C16 | C20 | H22 | 110.3° | 111.0° |
| C16 | C20 | H23 | 110.2° | 111.0° |
| C27 | C28 | C29 | 121.4° | 120.0° |
| C27 | C28 | H28 | 119.3° | 120.0° |
| C19 | N18 | C17 | 107.5° | 111.4° |
| N18 | C19 | H20 | 110.3° | 110.3° |
| N18 | C19 | H21 | 110.2° | 110.2° |
| C19 | N18 | H34 | 126.3° | 124.3° |
| C32 | C31 | C29 | 116.9° | 120.0° |
| C32 | C31 | H29 | 121.5° | 120.0° |
| C31 | C32 | H30 | 120.1° | 120.0° |
| C15 | C16 | C17 | 111.1° | 110.5° |
| C16 | C15 | H17 | 108.7° | 109.4° |
| C16 | C15 | H18 | 108.7° | 109.5° |
| C15 | C16 | H19 | 108.6° | 110.4° |
| C16 | C17 | N18 | 112.9° | 110.1° |
| C16 | C17 | O21 | 124.7° | 124.9° |
| C17 | C16 | H19 | 110.0° | 110.5° |
| C28 | C29 | C31 | 123.0° | 120.0° |
| C28 | C29 | CL3 | 115.6° | 120.0° |
| C29 | C28 | H28 | 119.3° | 120.0° |
| N18 | C17 | O21 | 122.4° | 125.0° |
| C17 | N18 | H34 | 126.3° | 124.3° |
| C31 | C29 | CL3 | 121.4° | 120.0° |
| C29 | C31 | H29 | 121.5° | 120.0° |
| S1 | C22 | H24 | 108.5° | 109.5° |
| C22 | S1 | H36 | 102.0° | 103.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C03 | H5 | 109.4° | 109.5° |
| H7 | C08 | H8 | 109.5° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.5° |
| H10 | C10 | H12 | 109.4° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.4° |
| H13 | C11 | H14 | 109.5° | 109.4° |
| H13 | C11 | H15 | 109.4° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| H17 | C15 | H18 | 109.5° | 109.5° |
| H20 | C19 | H21 | 109.5° | 110.2° |
| H22 | C20 | H23 | 109.5° | 110.9° |
| H25 | C26 | H26 | 109.4° | 109.5° |
| H25 | C26 | H27 | 109.5° | 109.5° |
| H26 | C26 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C09 | C08 | C11 | 122.6° | 120.0° |
| C10 | C09 | C08 | H9 | 118.8° | 120.0° |
| C10 | C09 | C11 | H9 | 119.0° | 120.0° |
| C10 | C09 | C08 | C07 | 174.9° | 175.0° |
| C10 | C09 | C08 | H7 | 64.8° | 55.0° |
| C10 | C09 | C08 | H8 | 54.5° | 65.0° |
| C09 | C10 | H10 | H11 | 120.0° | 120.0° |
| C09 | C10 | H10 | H12 | 120.0° | 120.0° |
| C09 | C10 | H11 | H12 | 120.0° | 119.9° |
| C10 | C09 | C11 | H13 | 180.0° | 60.0° |
| C10 | C09 | C11 | H14 | 60.0° | 180.0° |
| C10 | C09 | C11 | H15 | 60.0° | 60.0° |
| C08 | C09 | C11 | H9 | 118.5° | 120.0° |
| C09 | C08 | C07 | H7 | 120.4° | 120.0° |
| C09 | C08 | C07 | H8 | 120.4° | 120.0° |
| C09 | C08 | C07 | N06 | 70.3° | 65.0° |
| C09 | C08 | C07 | C12 | 168.6° | 175.0° |
| C09 | C08 | C07 | H6 | 50.3° | 55.0° |
| C09 | C08 | H7 | H8 | 118.8° | 119.9° |
| C08 | C09 | C10 | H10 | 180.0° | 60.0° |
| C08 | C09 | C10 | H11 | 60.0° | 179.9° |
| C08 | C09 | C10 | H12 | 60.0° | 60.0° |
| C08 | C09 | C11 | H13 | 57.6° | 60.0° |
| C08 | C09 | C11 | H14 | 177.6° | 60.0° |
| C08 | C09 | C11 | H15 | 62.4° | 180.0° |
| C11 | C09 | C08 | C07 | 62.5° | 65.0° |
| C11 | C09 | C08 | H7 | 57.8° | 175.0° |
| C11 | C09 | C08 | H8 | 177.1° | 55.0° |
| C11 | C09 | C10 | H10 | 57.5° | 60.0° |
| C11 | C09 | C10 | H11 | 177.5° | 60.0° |
| C11 | C09 | C10 | H12 | 62.5° | 180.0° |
| C09 | C11 | H13 | H14 | 120.0° | 120.0° |
| C09 | C11 | H13 | H15 | 120.0° | 120.0° |
| C09 | C11 | H14 | H15 | 120.0° | 120.1° |
| C08 | C07 | C12 | O24 | 75.8° | 120.1° |
| C08 | C07 | N06 | C12 | 119.0° | 120.0° |
| C08 | C07 | N06 | H6 | 120.0° | 120.0° |
| C08 | C07 | N06 | C05 | 178.4° | 85.0° |
| C08 | C07 | C12 | H6 | 118.4° | 120.0° |
| C08 | C07 | C12 | N13 | 105.2° | 60.0° |
| C07 | C08 | H7 | H8 | 118.8° | 120.1° |
| C07 | C08 | C09 | H9 | 56.1° | 55.0° |
| C08 | C07 | N06 | H32 | 1.6° | 95.0° |
| O24 | C12 | C07 | N06 | 44.3° | 0.0° |
| O24 | C12 | C07 | N13 | 179.0° | 179.9° |
| O24 | C12 | N13 | C14 | 2.0° | 0.1° |
| O24 | C12 | C07 | H6 | 165.9° | 120.0° |
| O24 | C12 | N13 | H33 | 178.0° | 180.0° |
| C26 | C02 | C03 | O04 | 38.8° | 60.0° |
| C26 | C02 | C03 | C01 | 117.4° | 120.0° |
| C26 | C02 | C03 | C27 | 119.3° | 120.0° |
| C26 | C02 | C01 | C27 | 122.5° | 120.0° |
| C26 | C02 | C27 | C33 | 12.0° | 120.3° |
| C26 | C02 | C27 | C28 | 167.9° | 60.0° |
| C26 | C02 | C01 | H1 | 180.0° | 180.0° |
| C26 | C02 | C01 | H2 | 60.0° | 60.0° |
| C26 | C02 | C01 | H3 | 60.0° | 60.0° |
| C26 | C02 | C03 | H4 | 158.7° | 60.0° |
| C26 | C02 | C03 | H5 | 81.0° | 180.0° |
| C02 | C26 | H25 | H26 | 120.0° | 120.0° |
| C02 | C26 | H25 | H27 | 120.0° | 119.9° |
| C02 | C26 | H26 | H27 | 120.0° | 119.9° |
| C07 | N06 | C05 | H32 | 180.0° | 180.0° |
| N06 | C07 | C12 | H6 | 121.6° | 120.0° |
| C07 | N06 | C05 | O04 | 179.1° | 180.0° |
| N06 | C07 | C12 | N13 | 134.7° | 179.9° |
| C07 | N06 | C05 | O25 | 0.4° | 0.0° |
| N06 | C07 | C08 | H7 | 169.4° | 55.0° |
| N06 | C07 | C08 | H8 | 50.1° | 175.0° |
| C05 | N06 | C07 | C12 | 62.5° | 155.0° |
| N06 | C05 | O04 | O25 | 179.5° | 180.0° |
| N06 | C05 | O04 | C03 | 178.6° | 180.0° |
| C05 | N06 | C07 | H6 | 58.4° | 35.0° |
| O23 | C22 | C14 | N13 | 68.7° | 180.0° |
| O23 | C22 | C14 | S1 | 115.9° | 119.9° |
| O23 | C22 | C14 | H24 | 124.0° | 120.0° |
| O23 | C22 | C14 | C15 | 170.2° | 60.0° |
| O23 | C22 | S1 | H24 | 123.4° | 120.0° |
| O23 | C22 | C14 | H16 | 49.9° | 60.0° |
| O23 | C22 | S1 | H36 | 180.0° | 180.0° |
| C07 | C12 | N13 | C14 | 179.0° | 180.0° |
| C12 | C07 | C08 | H7 | 48.2° | 65.0° |
| C12 | C07 | C08 | H8 | 71.0° | 55.0° |
| C12 | C07 | N06 | H32 | 117.5° | 25.0° |
| C07 | C12 | N13 | H33 | 1.0° | 0.0° |
| C05 | O04 | C03 | C02 | 148.2° | 180.0° |
| C05 | O04 | C03 | H4 | 28.4° | 60.0° |
| C05 | O04 | C03 | H5 | 91.9° | 59.9° |
| O04 | C05 | N06 | H32 | 0.9° | 0.0° |
| C03 | O04 | C05 | O25 | 1.9° | 0.0° |
| O04 | C03 | C02 | H4 | 119.9° | 119.9° |
| O04 | C03 | C02 | H5 | 119.8° | 120.1° |
| O04 | C03 | C02 | C01 | 156.2° | 60.1° |
| O04 | C03 | C02 | C27 | 80.4° | 180.0° |
| O04 | C03 | H4 | H5 | 120.5° | 120.0° |
| C12 | N13 | C14 | H33 | 180.0° | 180.0° |
| C12 | N13 | C14 | C22 | 120.0° | 85.0° |
| C12 | N13 | C14 | C15 | 120.6° | 155.0° |
| N13 | C12 | C07 | H6 | 13.1° | 59.9° |
| C12 | N13 | C14 | H16 | 2.0° | 35.1° |
| O25 | C05 | N06 | H32 | 179.6° | 180.0° |
| C03 | C02 | C01 | C27 | 121.5° | 120.0° |
| C03 | C02 | C27 | C33 | 129.7° | 0.3° |
| C03 | C02 | C27 | C28 | 50.3° | 180.0° |
| C03 | C02 | C01 | H1 | 63.9° | 59.9° |
| C03 | C02 | C01 | H2 | 56.1° | 180.0° |
| C03 | C02 | C01 | H3 | 176.1° | 60.0° |
| C02 | C03 | H4 | H5 | 120.5° | 120.1° |
| C03 | C02 | C26 | H25 | 180.0° | 60.0° |
| C03 | C02 | C26 | H26 | 60.0° | 180.0° |
| C03 | C02 | C26 | H27 | 60.0° | 60.0° |
| C01 | C02 | C27 | C33 | 110.1° | 119.7° |
| C01 | C02 | C27 | C28 | 70.0° | 60.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 119.9° |
| C02 | C01 | H2 | H3 | 119.9° | 120.0° |
| C01 | C02 | C03 | H4 | 83.9° | 180.0° |
| C01 | C02 | C03 | H5 | 36.4° | 60.0° |
| C01 | C02 | C26 | H25 | 63.6° | 60.1° |
| C01 | C02 | C26 | H26 | 56.4° | 60.0° |
| C01 | C02 | C26 | H27 | 176.4° | 180.0° |
| C02 | C27 | C33 | C28 | 180.0° | 179.7° |
| C02 | C27 | C33 | C32 | 179.6° | 179.7° |
| C02 | C27 | C28 | C29 | 179.8° | 179.9° |
| C27 | C02 | C01 | H1 | 57.5° | 60.0° |
| C27 | C02 | C01 | H2 | 177.6° | 60.0° |
| C27 | C02 | C01 | H3 | 62.5° | 180.0° |
| C27 | C02 | C03 | H4 | 39.4° | 60.0° |
| C27 | C02 | C03 | H5 | 159.7° | 60.0° |
| C27 | C02 | C26 | H25 | 60.7° | 180.0° |
| C27 | C02 | C26 | H26 | 179.3° | 60.0° |
| C27 | C02 | C26 | H27 | 59.3° | 60.0° |
| C02 | C27 | C28 | H28 | 0.2° | 0.0° |
| C02 | C27 | C33 | H31 | 0.4° | 0.1° |
| C27 | C33 | C32 | H31 | 180.0° | 179.7° |
| C27 | C33 | C32 | C31 | 0.9° | 0.6° |
| C33 | C27 | C28 | C29 | 0.2° | 0.3° |
| C33 | C27 | C28 | H28 | 179.8° | 179.7° |
| C27 | C33 | C32 | H30 | 179.1° | 179.6° |
| C32 | C33 | C27 | C28 | 0.4° | 0.6° |
| C33 | C32 | C31 | H30 | 180.0° | 179.8° |
| C33 | C32 | C31 | C29 | 1.2° | 0.2° |
| C33 | C32 | C31 | H29 | 178.8° | 179.7° |
| N13 | C14 | C22 | C15 | 121.1° | 120.0° |
| N13 | C14 | C22 | H16 | 118.6° | 120.0° |
| N13 | C14 | C15 | H16 | 123.0° | 120.0° |
| N13 | C14 | C15 | C16 | 61.3° | 65.0° |
| N13 | C14 | C22 | S1 | 47.1° | 60.1° |
| N13 | C14 | C15 | H17 | 59.2° | 55.0° |
| N13 | C14 | C15 | H18 | 178.2° | 174.9° |
| N13 | C14 | C22 | H24 | 167.3° | 60.0° |
| C22 | C14 | C15 | H16 | 120.3° | 120.0° |
| C22 | C14 | C15 | C16 | 178.1° | 175.1° |
| C14 | C22 | S1 | H24 | 121.9° | 120.0° |
| C22 | C14 | C15 | H17 | 57.6° | 65.0° |
| C22 | C14 | C15 | H18 | 61.4° | 55.0° |
| C22 | C14 | N13 | H33 | 60.0° | 95.0° |
| C14 | C22 | O23 | H35 | 180.0° | 60.0° |
| C14 | C22 | S1 | H36 | 65.2° | 60.0° |
| C14 | C15 | C16 | C20 | 57.1° | 178.7° |
| C14 | C15 | C16 | H17 | 120.5° | 119.9° |
| C14 | C15 | C16 | H18 | 120.5° | 120.1° |
| C14 | C15 | C16 | C17 | 174.0° | 66.4° |
| C15 | C14 | C22 | S1 | 73.9° | 180.0° |
| C14 | C15 | H17 | H18 | 118.6° | 120.0° |
| C14 | C15 | C16 | H19 | 65.0° | 56.1° |
| C15 | C14 | C22 | H24 | 46.2° | 60.0° |
| C15 | C14 | N13 | H33 | 59.4° | 25.0° |
| C19 | C20 | C16 | H22 | 119.5° | 118.1° |
| C19 | C20 | C16 | H23 | 119.5° | 118.1° |
| C20 | C19 | N18 | H20 | 119.5° | 119.0° |
| C20 | C19 | N18 | H21 | 119.5° | 119.1° |
| C19 | C20 | C16 | C15 | 136.9° | 93.9° |
| C19 | C20 | C16 | C17 | 15.9° | 24.8° |
| C20 | C19 | N18 | C17 | 9.8° | 17.0° |
| C19 | C20 | C16 | H19 | 101.6° | 143.6° |
| C20 | C19 | H20 | H21 | 121.4° | 122.0° |
| C19 | C20 | H22 | H23 | 121.4° | 123.7° |
| C20 | C19 | N18 | H34 | 170.2° | 163.0° |
| C16 | C20 | C19 | N18 | 16.1° | 25.4° |
| C20 | C16 | C15 | C17 | 116.9° | 114.8° |
| C20 | C16 | C15 | H19 | 122.0° | 122.6° |
| C20 | C16 | C17 | H19 | 117.2° | 118.8° |
| C20 | C16 | C17 | N18 | 10.5° | 16.3° |
| C20 | C16 | C17 | O21 | 169.8° | 163.7° |
| C20 | C16 | C15 | H17 | 177.5° | 61.3° |
| C20 | C16 | C15 | H18 | 63.4° | 58.7° |
| C16 | C20 | C19 | H20 | 135.7° | 93.6° |
| C16 | C20 | C19 | H21 | 103.4° | 144.4° |
| C16 | C20 | H22 | H23 | 121.4° | 123.9° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C31 | 0.6° | 0.1° |
| C27 | C28 | C29 | CL3 | 180.0° | 180.0° |
| C28 | C27 | C33 | H31 | 179.6° | 179.7° |
| C19 | N18 | C17 | C16 | 0.5° | 0.4° |
| C19 | N18 | C17 | H34 | 180.0° | 180.0° |
| C19 | N18 | C17 | O21 | 179.9° | 179.6° |
| N18 | C19 | H20 | H21 | 121.4° | 122.0° |
| N18 | C19 | C20 | H22 | 135.7° | 143.6° |
| N18 | C19 | C20 | H23 | 103.4° | 92.7° |
| C32 | C31 | C29 | C28 | 1.1° | 0.1° |
| C32 | C31 | C29 | H29 | 180.0° | 179.9° |
| C32 | C31 | C29 | CL3 | 179.5° | 180.0° |
| C31 | C32 | C33 | H31 | 179.1° | 179.8° |
| C15 | C16 | C17 | H19 | 120.2° | 122.5° |
| C15 | C16 | C17 | N18 | 133.1° | 102.4° |
| C15 | C16 | C17 | O21 | 47.2° | 77.6° |
| C16 | C15 | C14 | H16 | 61.6° | 55.0° |
| C16 | C15 | H17 | H18 | 118.5° | 120.0° |
| C15 | C16 | C20 | H22 | 103.6° | 24.2° |
| C15 | C16 | C20 | H23 | 17.4° | 148.0° |
| C16 | C17 | N18 | O21 | 179.7° | 180.0° |
| C17 | C16 | C15 | H17 | 65.5° | 53.5° |
| C17 | C16 | C15 | H18 | 53.5° | 173.5° |
| C17 | C16 | C20 | H22 | 135.4° | 142.9° |
| C17 | C16 | C20 | H23 | 103.6° | 93.2° |
| C16 | C17 | N18 | H34 | 179.6° | 179.6° |
| C28 | C29 | C31 | CL3 | 179.4° | 179.9° |
| C28 | C29 | C31 | H29 | 179.0° | 180.0° |
| N18 | C17 | C16 | H19 | 106.7° | 135.1° |
| C17 | N18 | C19 | H20 | 129.4° | 101.9° |
| C17 | N18 | C19 | H21 | 109.7° | 136.1° |
| C31 | C29 | C28 | H28 | 179.5° | 180.0° |
| C29 | C31 | C32 | H30 | 178.8° | 180.0° |
| O21 | C17 | C16 | H19 | 73.0° | 44.9° |
| O21 | C17 | N18 | H34 | 0.1° | 0.4° |
| CL3 | C29 | C28 | H28 | 0.0° | 0.1° |
| CL3 | C29 | C31 | H29 | 0.4° | 0.1° |
| S1 | C22 | C14 | H16 | 165.7° | 60.0° |
| S1 | C22 | O23 | H35 | 62.8° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.1° |
| H6 | C07 | C08 | H7 | 70.1° | 175.0° |
| H6 | C07 | C08 | H8 | 170.7° | 65.0° |
| H6 | C07 | N06 | H32 | 121.6° | 145.0° |
| H7 | C08 | C09 | H9 | 176.5° | 65.0° |
| H8 | C08 | C09 | H9 | 64.3° | 175.0° |
| H9 | C09 | C10 | H10 | 61.5° | 180.0° |
| H9 | C09 | C10 | H11 | 58.6° | 59.9° |
| H9 | C09 | C10 | H12 | 178.6° | 60.0° |
| H9 | C09 | C11 | H13 | 61.0° | 180.0° |
| H9 | C09 | C11 | H14 | 59.0° | 60.0° |
| H9 | C09 | C11 | H15 | 179.1° | 60.0° |
| H10 | C10 | H11 | H12 | 120.0° | 120.0° |
| H13 | C11 | H14 | H15 | 120.0° | 120.0° |
| H16 | C14 | C15 | H17 | 177.9° | 175.0° |
| H16 | C14 | C15 | H18 | 58.8° | 65.1° |
| H16 | C14 | C22 | H24 | 74.2° | 180.0° |
| H16 | C14 | N13 | H33 | 178.0° | 145.0° |
| H17 | C15 | C16 | H19 | 55.5° | 176.1° |
| H18 | C15 | C16 | H19 | 174.5° | 63.9° |
| H19 | C16 | C20 | H22 | 17.9° | 98.3° |
| H19 | C16 | C20 | H23 | 138.9° | 25.5° |
| H20 | C19 | C20 | H22 | 104.8° | 24.6° |
| H20 | C19 | C20 | H23 | 16.2° | 148.3° |
| H20 | C19 | N18 | H34 | 50.6° | 78.0° |
| H21 | C19 | C20 | H22 | 16.2° | 97.4° |
| H21 | C19 | C20 | H23 | 137.1° | 26.3° |
| H21 | C19 | N18 | H34 | 70.3° | 43.9° |
| H24 | C22 | O23 | H35 | 57.4° | 59.9° |
| H24 | C22 | S1 | H36 | 56.6° | 60.0° |
| H25 | C26 | H26 | H27 | 120.0° | 120.0° |
| H29 | C31 | C32 | H30 | 1.2° | 0.1° |
| H30 | C32 | C33 | H31 | 0.9° | 0.0° |
