WJB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C28 | doub | 1.38Å | 1.41Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | S27 | sing | 1.76Å | 1.71Å | |
| O35 | S27 | doub | 1.42Å | 1.42Å | |
| C01 | C02 | sing | 1.53Å | 1.51Å | |
| S27 | C02 | sing | 1.81Å | 1.83Å | |
| S27 | O34 | doub | 1.42Å | 1.42Å | |
| C02 | C03 | sing | 1.53Å | 1.59Å | |
| C02 | C26 | sing | 1.53Å | 1.53Å | |
| C03 | O04 | sing | 1.45Å | 1.43Å | |
| O04 | C05 | sing | 1.35Å | 1.38Å | |
| C05 | N06 | sing | 1.35Å | 1.39Å | |
| C05 | O25 | doub | 1.21Å | 1.23Å | |
| C19 | C20 | sing | 1.54Å | 1.55Å | |
| C19 | N18 | sing | 1.47Å | 1.46Å | |
| N06 | C07 | sing | 1.46Å | 1.45Å | |
| C20 | C16 | sing | 1.55Å | 1.54Å | |
| O24 | C12 | doub | 1.21Å | 1.23Å | |
| N18 | C17 | sing | 1.34Å | 1.39Å | |
| C07 | C12 | sing | 1.51Å | 1.56Å | |
| C07 | C08 | sing | 1.53Å | 1.58Å | |
| C12 | N13 | sing | 1.35Å | 1.41Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C17 | O21 | doub | 1.21Å | 1.20Å | |
| C08 | C09 | sing | 1.53Å | 1.55Å | |
| C09 | C10 | sing | 1.53Å | 1.53Å | |
| C09 | C11 | sing | 1.53Å | 1.52Å | |
| N13 | C14 | sing | 1.46Å | 1.46Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C14 | C22 | sing | 1.53Å | 1.57Å | |
| O23 | C22 | sing | 1.43Å | 1.40Å | |
| C22 | S2 | sing | 1.81Å | 1.79Å | |
| C07 | H1 | sing | 1.09Å | 1.10Å | |
| C08 | H2 | sing | 1.09Å | 1.10Å | |
| C08 | H3 | sing | 1.09Å | 1.10Å | |
| C09 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.08Å | 1.08Å | |
| C01 | H22 | sing | 1.09Å | 1.10Å | |
| C01 | H23 | sing | 1.09Å | 1.10Å | |
| C01 | H24 | sing | 1.09Å | 1.10Å | |
| C03 | H25 | sing | 1.09Å | 1.10Å | |
| C03 | H26 | sing | 1.09Å | 1.10Å | |
| C11 | H27 | sing | 1.09Å | 1.10Å | |
| C11 | H28 | sing | 1.09Å | 1.10Å | |
| C11 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| N06 | H34 | sing | 0.97Å | 1.00Å | |
| N13 | H35 | sing | 0.97Å | 1.00Å | |
| N18 | H36 | sing | 0.97Å | 1.00Å | |
| O23 | H37 | sing | 0.97Å | 0.95Å | |
| S2 | O1 | sing | 1.52Å | 1.79Å | |
| S2 | O2 | doub | 1.42Å | 19.93Å | |
| S2 | O3 | doub | 1.42Å | 19.93Å | |
| O1 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C32 | C33 | 120.8° | 120.0° |
| C32 | C31 | C30 | 117.2° | 120.0° |
| C32 | C31 | H31 | 121.4° | 120.0° |
| C31 | C32 | H32 | 119.6° | 120.0° |
| C32 | C33 | C28 | 124.0° | 120.0° |
| C33 | C32 | H32 | 119.6° | 120.0° |
| C32 | C33 | H33 | 118.0° | 120.0° |
| C31 | C30 | C29 | 120.9° | 120.0° |
| C31 | C30 | H20 | 119.6° | 120.0° |
| C30 | C31 | H31 | 121.4° | 120.0° |
| C33 | C28 | C29 | 113.1° | 120.0° |
| C33 | C28 | S27 | 123.3° | 120.0° |
| C28 | C33 | H33 | 118.0° | 120.0° |
| C30 | C29 | C28 | 124.1° | 120.0° |
| C29 | C30 | H20 | 119.6° | 120.0° |
| C30 | C29 | H30 | 117.9° | 120.0° |
| C29 | C28 | S27 | 123.6° | 120.0° |
| C28 | C29 | H30 | 118.0° | 120.0° |
| C28 | S27 | O35 | 109.5° | 104.3° |
| C28 | S27 | C02 | 103.9° | 104.4° |
| C28 | S27 | O34 | 110.3° | 104.3° |
| O35 | S27 | C02 | 109.3° | 110.5° |
| O35 | S27 | O34 | 117.9° | 121.1° |
| C01 | C02 | S27 | 109.1° | 109.5° |
| C01 | C02 | C03 | 108.1° | 109.5° |
| C01 | C02 | C26 | 109.2° | 109.5° |
| C02 | C01 | H22 | 109.5° | 109.5° |
| C02 | C01 | H23 | 109.5° | 109.5° |
| C02 | C01 | H24 | 109.5° | 109.5° |
| C02 | S27 | O34 | 104.9° | 110.5° |
| S27 | C02 | C03 | 113.6° | 109.4° |
| S27 | C02 | C26 | 107.9° | 109.5° |
| C03 | C02 | C26 | 108.9° | 109.5° |
| C02 | C03 | O04 | 119.8° | 109.4° |
| C02 | C03 | H25 | 106.8° | 109.5° |
| C02 | C03 | H26 | 106.8° | 109.4° |
| C02 | C26 | H17 | 109.5° | 109.4° |
| C02 | C26 | H18 | 109.5° | 109.4° |
| C02 | C26 | H19 | 109.5° | 109.5° |
| C03 | O04 | C05 | 120.6° | 117.0° |
| O04 | C03 | H25 | 106.8° | 109.5° |
| O04 | C03 | H26 | 106.8° | 109.5° |
| O04 | C05 | N06 | 117.1° | 120.0° |
| O04 | C05 | O25 | 120.6° | 120.0° |
| N06 | C05 | O25 | 122.4° | 120.0° |
| C05 | N06 | C07 | 123.1° | 120.0° |
| C05 | N06 | H34 | 118.4° | 120.0° |
| C20 | C19 | N18 | 104.5° | 105.5° |
| C19 | C20 | C16 | 105.8° | 101.8° |
| C20 | C19 | H12 | 110.7° | 110.3° |
| C20 | C19 | H13 | 110.7° | 110.3° |
| C19 | C20 | H14 | 110.4° | 111.0° |
| C19 | C20 | H15 | 110.4° | 110.9° |
| C19 | N18 | C17 | 113.7° | 111.3° |
| N18 | C19 | H12 | 110.7° | 110.3° |
| N18 | C19 | H13 | 110.7° | 110.2° |
| C19 | N18 | H36 | 123.2° | 124.3° |
| N06 | C07 | C12 | 111.2° | 109.5° |
| N06 | C07 | C08 | 110.2° | 109.5° |
| N06 | C07 | H1 | 109.5° | 109.5° |
| C07 | N06 | H34 | 118.5° | 120.0° |
| C20 | C16 | C17 | 105.2° | 104.2° |
| C20 | C16 | C15 | 113.5° | 110.5° |
| C20 | C16 | H11 | 108.1° | 110.7° |
| C16 | C20 | H14 | 110.4° | 111.0° |
| C16 | C20 | H15 | 110.4° | 111.0° |
| O24 | C12 | C07 | 118.8° | 120.0° |
| O24 | C12 | N13 | 119.8° | 119.9° |
| N18 | C17 | C16 | 108.8° | 110.1° |
| N18 | C17 | O21 | 124.0° | 124.9° |
| C17 | N18 | H36 | 123.2° | 124.4° |
| C12 | C07 | C08 | 109.9° | 109.5° |
| C07 | C12 | N13 | 121.3° | 120.1° |
| C12 | C07 | H1 | 108.1° | 109.4° |
| C07 | C08 | C09 | 116.2° | 109.5° |
| C08 | C07 | H1 | 107.8° | 109.4° |
| C07 | C08 | H2 | 107.8° | 109.5° |
| C07 | C08 | H3 | 107.8° | 109.4° |
| C12 | N13 | C14 | 124.8° | 120.0° |
| C12 | N13 | H35 | 117.6° | 119.9° |
| C17 | C16 | C15 | 112.8° | 110.5° |
| C16 | C17 | O21 | 127.3° | 125.0° |
| C17 | C16 | H11 | 108.5° | 110.5° |
| C16 | C15 | C14 | 110.5° | 109.4° |
| C16 | C15 | H9 | 109.2° | 109.4° |
| C16 | C15 | H10 | 109.2° | 109.5° |
| C15 | C16 | H11 | 108.4° | 110.4° |
| C08 | C09 | C10 | 114.0° | 109.5° |
| C08 | C09 | C11 | 113.0° | 109.5° |
| C09 | C08 | H2 | 107.7° | 109.5° |
| C09 | C08 | H3 | 107.8° | 109.5° |
| C08 | C09 | H4 | 107.5° | 109.5° |
| C10 | C09 | C11 | 106.5° | 109.5° |
| C10 | C09 | H4 | 107.7° | 109.5° |
| C09 | C10 | H5 | 109.5° | 109.5° |
| C09 | C10 | H6 | 109.5° | 109.5° |
| C09 | C10 | H7 | 109.5° | 109.4° |
| C11 | C09 | H4 | 107.8° | 109.5° |
| C09 | C11 | H27 | 109.5° | 109.4° |
| C09 | C11 | H28 | 109.5° | 109.5° |
| C09 | C11 | H29 | 109.5° | 109.5° |
| N13 | C14 | C15 | 111.8° | 109.5° |
| N13 | C14 | C22 | 105.9° | 109.4° |
| N13 | C14 | H8 | 110.3° | 109.5° |
| C14 | N13 | H35 | 117.6° | 120.0° |
| C15 | C14 | C22 | 111.0° | 109.4° |
| C15 | C14 | H8 | 108.9° | 109.5° |
| C14 | C15 | H9 | 109.2° | 109.5° |
| C14 | C15 | H10 | 109.2° | 109.5° |
| C14 | C22 | O23 | 104.1° | 109.5° |
| C14 | C22 | S2 | 109.0° | 109.5° |
| C22 | C14 | H8 | 108.8° | 109.4° |
| C14 | C22 | H16 | 112.5° | 109.5° |
| O23 | C22 | S2 | 105.9° | 109.5° |
| O23 | C22 | H16 | 115.4° | 109.5° |
| C22 | O23 | H37 | 109.5° | 114.0° |
| S2 | C22 | H16 | 109.5° | 109.5° |
| C22 | S2 | O1 | 99.4° | 104.5° |
| C22 | S2 | O2 | 59.2° | 110.5° |
| C22 | S2 | O3 | 59.2° | 110.6° |
| H2 | C08 | H3 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.5° | 109.4° |
| H5 | C10 | H7 | 109.4° | 109.5° |
| H6 | C10 | H7 | 109.5° | 109.5° |
| H9 | C15 | H10 | 109.5° | 109.5° |
| H12 | C19 | H13 | 109.5° | 110.2° |
| H14 | C20 | H15 | 109.4° | 110.9° |
| H17 | C26 | H18 | 109.4° | 109.5° |
| H17 | C26 | H19 | 109.5° | 109.5° |
| H18 | C26 | H19 | 109.5° | 109.5° |
| H22 | C01 | H23 | 109.5° | 109.5° |
| H22 | C01 | H24 | 109.4° | 109.4° |
| H23 | C01 | H24 | 109.5° | 109.5° |
| H25 | C03 | H26 | 109.5° | 109.5° |
| H27 | C11 | H28 | 109.5° | 109.4° |
| H27 | C11 | H29 | 109.4° | 109.5° |
| H28 | C11 | H29 | 109.5° | 109.5° |
| O1 | S2 | O2 | 95.7° | 104.2° |
| O1 | S2 | O3 | 95.7° | 104.3° |
| S2 | O1 | H21 | 109.5° | 114.0° |
| O2 | S2 | O3 | 0.0° | 121.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C32 | C33 | H32 | 180.0° | 179.2° |
| C32 | C31 | C30 | H31 | 180.0° | 179.5° |
| C31 | C32 | C33 | C28 | 0.5° | 0.6° |
| C32 | C31 | C30 | C29 | 0.1° | 0.5° |
| C32 | C31 | C30 | H20 | 179.9° | 179.5° |
| C31 | C32 | C33 | H33 | 179.5° | 179.5° |
| C33 | C32 | C31 | C30 | 0.1° | 0.8° |
| C32 | C33 | C28 | H33 | 180.0° | 179.9° |
| C32 | C33 | C28 | C29 | 0.9° | 0.1° |
| C32 | C33 | C28 | S27 | 179.2° | 179.7° |
| C33 | C32 | C31 | H31 | 180.0° | 179.7° |
| C31 | C30 | C29 | H20 | 180.0° | 180.0° |
| C31 | C30 | C29 | C28 | 0.6° | 0.0° |
| C31 | C30 | C29 | H30 | 179.4° | 180.0° |
| C30 | C31 | C32 | H32 | 179.9° | 180.0° |
| C33 | C28 | C29 | C30 | 0.9° | 0.2° |
| C33 | C28 | C29 | S27 | 178.3° | 179.8° |
| C33 | C28 | S27 | O35 | 25.4° | 25.8° |
| C33 | C28 | S27 | C02 | 91.2° | 90.2° |
| C33 | C28 | S27 | O34 | 156.8° | 153.7° |
| C33 | C28 | C29 | H30 | 179.1° | 179.8° |
| C28 | C33 | C32 | H32 | 179.5° | 179.8° |
| C30 | C29 | C28 | H30 | 180.0° | 180.0° |
| C30 | C29 | C28 | S27 | 179.3° | 180.0° |
| C29 | C30 | C31 | H31 | 179.9° | 180.0° |
| C29 | C28 | S27 | O35 | 156.4° | 154.0° |
| C29 | C28 | S27 | C02 | 87.0° | 90.0° |
| C29 | C28 | S27 | O34 | 25.0° | 26.1° |
| C28 | C29 | C30 | H20 | 179.4° | 180.0° |
| C29 | C28 | C33 | H33 | 179.1° | 180.0° |
| C28 | S27 | O35 | C02 | 113.2° | 111.7° |
| C28 | S27 | O35 | O34 | 127.2° | 116.8° |
| C28 | S27 | C02 | C01 | 63.8° | 60.0° |
| C28 | S27 | C02 | O34 | 115.8° | 111.6° |
| C28 | S27 | C02 | C03 | 56.9° | 180.0° |
| C28 | S27 | C02 | C26 | 177.7° | 60.0° |
| S27 | C28 | C29 | H30 | 0.7° | 0.0° |
| S27 | C28 | C33 | H33 | 0.7° | 0.2° |
| O35 | S27 | C02 | C01 | 53.0° | 171.6° |
| O35 | S27 | C02 | O34 | 127.4° | 136.8° |
| O35 | S27 | C02 | C03 | 173.7° | 68.4° |
| O35 | S27 | C02 | C26 | 65.5° | 51.6° |
| C01 | C02 | S27 | C03 | 120.7° | 120.0° |
| C01 | C02 | S27 | C26 | 118.5° | 120.0° |
| C01 | C02 | S27 | O34 | 179.6° | 51.6° |
| C01 | C02 | C03 | C26 | 118.5° | 120.0° |
| C01 | C02 | C03 | O04 | 45.4° | 60.0° |
| C01 | C02 | C26 | H17 | 180.0° | 60.0° |
| C01 | C02 | C26 | H18 | 60.0° | 60.0° |
| C01 | C02 | C26 | H19 | 60.0° | 180.0° |
| C02 | C01 | H22 | H23 | 120.0° | 120.0° |
| C02 | C01 | H22 | H24 | 120.0° | 120.0° |
| C02 | C01 | H23 | H24 | 120.0° | 120.0° |
| C01 | C02 | C03 | H25 | 76.0° | 180.0° |
| C01 | C02 | C03 | H26 | 166.9° | 60.0° |
| S27 | C02 | C03 | C26 | 120.2° | 120.0° |
| S27 | C02 | C03 | O04 | 166.7° | 180.0° |
| S27 | C02 | C26 | H17 | 61.5° | 180.0° |
| S27 | C02 | C26 | H18 | 58.5° | 60.0° |
| S27 | C02 | C26 | H19 | 178.4° | 60.0° |
| S27 | C02 | C01 | H22 | 180.0° | 60.0° |
| S27 | C02 | C01 | H23 | 60.0° | 60.0° |
| S27 | C02 | C01 | H24 | 60.0° | 180.0° |
| S27 | C02 | C03 | H25 | 45.3° | 60.0° |
| S27 | C02 | C03 | H26 | 71.8° | 60.0° |
| O34 | S27 | C02 | C03 | 58.9° | 68.4° |
| O34 | S27 | C02 | C26 | 61.9° | 171.6° |
| C02 | C03 | O04 | H25 | 121.5° | 120.0° |
| C02 | C03 | O04 | H26 | 121.5° | 119.9° |
| C02 | C03 | O04 | C05 | 133.5° | 180.0° |
| C03 | C02 | C26 | H17 | 62.2° | 60.1° |
| C03 | C02 | C26 | H18 | 177.8° | 180.0° |
| C03 | C02 | C26 | H19 | 57.9° | 60.0° |
| C03 | C02 | C01 | H22 | 56.0° | 60.0° |
| C03 | C02 | C01 | H23 | 176.0° | 180.0° |
| C03 | C02 | C01 | H24 | 64.0° | 60.0° |
| C02 | C03 | H25 | H26 | 115.3° | 120.0° |
| C26 | C02 | C03 | O04 | 73.1° | 60.1° |
| C02 | C26 | H17 | H18 | 120.0° | 119.9° |
| C02 | C26 | H17 | H19 | 120.0° | 120.0° |
| C02 | C26 | H18 | H19 | 120.0° | 120.0° |
| C26 | C02 | C01 | H22 | 62.4° | 180.0° |
| C26 | C02 | C01 | H23 | 57.6° | 60.0° |
| C26 | C02 | C01 | H24 | 177.7° | 60.0° |
| C26 | C02 | C03 | H25 | 165.5° | 60.0° |
| C26 | C02 | C03 | H26 | 48.4° | 180.0° |
| C03 | O04 | C05 | N06 | 156.0° | 180.0° |
| C03 | O04 | C05 | O25 | 23.3° | 0.0° |
| O04 | C03 | H25 | H26 | 115.3° | 120.1° |
| O04 | C05 | N06 | O25 | 179.3° | 180.0° |
| O04 | C05 | N06 | C07 | 166.8° | 175.0° |
| C05 | O04 | C03 | H25 | 105.0° | 60.0° |
| C05 | O04 | C03 | H26 | 12.0° | 60.0° |
| O04 | C05 | N06 | H34 | 13.2° | 5.0° |
| C05 | N06 | C07 | H34 | 180.0° | 179.9° |
| C05 | N06 | C07 | C12 | 87.8° | 158.1° |
| C05 | N06 | C07 | C08 | 150.0° | 81.9° |
| C05 | N06 | C07 | H1 | 31.6° | 38.1° |
| O25 | C05 | N06 | C07 | 12.5° | 5.0° |
| O25 | C05 | N06 | H34 | 167.5° | 175.0° |
| C20 | C19 | N18 | H12 | 119.2° | 119.0° |
| C20 | C19 | N18 | H13 | 119.2° | 119.0° |
| C19 | C20 | C16 | H14 | 119.4° | 118.1° |
| C19 | C20 | C16 | H15 | 119.4° | 118.1° |
| C20 | C19 | N18 | C17 | 9.3° | 17.0° |
| C19 | C20 | C16 | C17 | 13.7° | 24.8° |
| C19 | C20 | C16 | C15 | 137.5° | 93.9° |
| C19 | C20 | C16 | H11 | 102.1° | 143.5° |
| C20 | C19 | H12 | H13 | 122.3° | 122.0° |
| C19 | C20 | H14 | H15 | 121.7° | 123.8° |
| C20 | C19 | N18 | H36 | 170.7° | 163.0° |
| N18 | C19 | C20 | C16 | 13.9° | 25.4° |
| C19 | N18 | C17 | H36 | 180.0° | 180.0° |
| C19 | N18 | C17 | C16 | 0.6° | 0.4° |
| C19 | N18 | C17 | O21 | 180.0° | 179.6° |
| N18 | C19 | H12 | H13 | 122.3° | 121.9° |
| N18 | C19 | C20 | H14 | 133.3° | 143.6° |
| N18 | C19 | C20 | H15 | 105.5° | 92.7° |
| N06 | C07 | C12 | O24 | 40.7° | 20.7° |
| N06 | C07 | C12 | C08 | 122.4° | 120.1° |
| N06 | C07 | C12 | H1 | 120.3° | 120.0° |
| N06 | C07 | C08 | H1 | 119.5° | 120.0° |
| N06 | C07 | C12 | N13 | 139.0° | 159.2° |
| N06 | C07 | C08 | C09 | 60.4° | 176.4° |
| N06 | C07 | C08 | H2 | 60.5° | 56.4° |
| N06 | C07 | C08 | H3 | 178.6° | 63.6° |
| C20 | C16 | C17 | N18 | 8.5° | 16.2° |
| C20 | C16 | C17 | C15 | 124.3° | 118.7° |
| C20 | C16 | C17 | H11 | 115.5° | 118.9° |
| C20 | C16 | C15 | H11 | 120.2° | 122.7° |
| C20 | C16 | C17 | O21 | 170.9° | 163.8° |
| C20 | C16 | C15 | C14 | 66.9° | 178.8° |
| C20 | C16 | C15 | H9 | 53.2° | 61.2° |
| C20 | C16 | C15 | H10 | 172.9° | 58.8° |
| C16 | C20 | C19 | H12 | 133.1° | 93.6° |
| C16 | C20 | C19 | H13 | 105.3° | 144.4° |
| C16 | C20 | H14 | H15 | 121.7° | 123.8° |
| O24 | C12 | C07 | N13 | 179.7° | 180.0° |
| O24 | C12 | C07 | C08 | 81.7° | 99.3° |
| O24 | C12 | N13 | C14 | 0.8° | 5.1° |
| O24 | C12 | C07 | H1 | 160.9° | 140.7° |
| O24 | C12 | N13 | H35 | 179.2° | 174.9° |
| N18 | C17 | C16 | O21 | 179.4° | 180.0° |
| N18 | C17 | C16 | C15 | 132.8° | 102.4° |
| N18 | C17 | C16 | H11 | 107.0° | 135.1° |
| C17 | N18 | C19 | H12 | 128.5° | 102.0° |
| C17 | N18 | C19 | H13 | 109.9° | 136.0° |
| C12 | C07 | C08 | H1 | 117.6° | 119.9° |
| C12 | C07 | C08 | C09 | 176.6° | 63.6° |
| C07 | C12 | N13 | C14 | 179.5° | 174.9° |
| C12 | C07 | C08 | H2 | 62.4° | 176.4° |
| C12 | C07 | C08 | H3 | 55.6° | 56.5° |
| C12 | C07 | N06 | H34 | 92.2° | 22.0° |
| C07 | C12 | N13 | H35 | 0.5° | 5.2° |
| C08 | C07 | C12 | N13 | 98.6° | 80.7° |
| C07 | C08 | C09 | H2 | 121.0° | 120.0° |
| C07 | C08 | C09 | H3 | 121.0° | 120.0° |
| C07 | C08 | C09 | C10 | 173.9° | 64.8° |
| C07 | C08 | C09 | C11 | 52.1° | 175.2° |
| C07 | C08 | H2 | H3 | 117.0° | 119.9° |
| C07 | C08 | C09 | H4 | 66.7° | 55.2° |
| C08 | C07 | N06 | H34 | 30.0° | 98.1° |
| C12 | N13 | C14 | H35 | 180.0° | 180.0° |
| C12 | N13 | C14 | C15 | 121.7° | 155.9° |
| C12 | N13 | C14 | C22 | 117.3° | 84.1° |
| N13 | C12 | C07 | H1 | 18.8° | 39.2° |
| C12 | N13 | C14 | H8 | 0.4° | 35.9° |
| C17 | C16 | C15 | H11 | 120.2° | 122.5° |
| C17 | C16 | C15 | C14 | 173.5° | 66.4° |
| C17 | C16 | C15 | H9 | 66.3° | 53.5° |
| C17 | C16 | C15 | H10 | 53.4° | 173.6° |
| C17 | C16 | C20 | H14 | 133.2° | 142.9° |
| C17 | C16 | C20 | H15 | 105.7° | 93.3° |
| C16 | C17 | N18 | H36 | 179.4° | 179.6° |
| C15 | C16 | C17 | O21 | 46.6° | 77.6° |
| C16 | C15 | C14 | N13 | 65.8° | 67.7° |
| C16 | C15 | C14 | H9 | 120.1° | 119.9° |
| C16 | C15 | C14 | H10 | 120.2° | 120.0° |
| C16 | C15 | C14 | C22 | 176.2° | 172.3° |
| C16 | C15 | C14 | H8 | 56.4° | 52.4° |
| C16 | C15 | H9 | H10 | 119.5° | 120.0° |
| C15 | C16 | C20 | H14 | 103.0° | 24.2° |
| C15 | C16 | C20 | H15 | 18.1° | 148.0° |
| O21 | C17 | C16 | H11 | 73.6° | 44.9° |
| O21 | C17 | N18 | H36 | 0.0° | 0.4° |
| C08 | C09 | C10 | C11 | 125.3° | 120.0° |
| C08 | C09 | C10 | H4 | 119.2° | 120.0° |
| C08 | C09 | C11 | H4 | 118.7° | 120.0° |
| C09 | C08 | C07 | H1 | 59.0° | 56.4° |
| C09 | C08 | H2 | H3 | 116.9° | 120.0° |
| C08 | C09 | C10 | H5 | 180.0° | 175.9° |
| C08 | C09 | C10 | H6 | 60.0° | 55.9° |
| C08 | C09 | C10 | H7 | 60.0° | 64.1° |
| C08 | C09 | C11 | H27 | 180.0° | 60.0° |
| C08 | C09 | C11 | H28 | 60.0° | 180.0° |
| C08 | C09 | C11 | H29 | 60.0° | 60.0° |
| C10 | C09 | C11 | H4 | 115.4° | 120.0° |
| C10 | C09 | C08 | H2 | 65.1° | 55.2° |
| C10 | C09 | C08 | H3 | 52.9° | 175.2° |
| C09 | C10 | H5 | H6 | 120.0° | 120.0° |
| C09 | C10 | H5 | H7 | 120.0° | 120.0° |
| C09 | C10 | H6 | H7 | 120.0° | 120.0° |
| C10 | C09 | C11 | H27 | 54.1° | 180.0° |
| C10 | C09 | C11 | H28 | 65.9° | 60.0° |
| C10 | C09 | C11 | H29 | 174.1° | 60.0° |
| C11 | C09 | C08 | H2 | 173.1° | 64.8° |
| C11 | C09 | C08 | H3 | 68.8° | 55.2° |
| C11 | C09 | C10 | H5 | 54.7° | 64.1° |
| C11 | C09 | C10 | H6 | 174.7° | 175.9° |
| C11 | C09 | C10 | H7 | 65.3° | 55.9° |
| C09 | C11 | H27 | H28 | 120.0° | 120.0° |
| C09 | C11 | H27 | H29 | 120.0° | 120.0° |
| C09 | C11 | H28 | H29 | 120.0° | 120.0° |
| N13 | C14 | C15 | C22 | 118.0° | 120.0° |
| N13 | C14 | C15 | H8 | 122.1° | 120.1° |
| N13 | C14 | C22 | H8 | 118.6° | 120.0° |
| N13 | C14 | C22 | O23 | 54.1° | 66.2° |
| N13 | C14 | C22 | S2 | 58.6° | 173.8° |
| N13 | C14 | C15 | H9 | 174.1° | 52.2° |
| N13 | C14 | C15 | H10 | 54.4° | 172.3° |
| N13 | C14 | C22 | H16 | 179.7° | 53.8° |
| C15 | C14 | C22 | H8 | 119.8° | 120.0° |
| C15 | C14 | C22 | O23 | 175.7° | 53.8° |
| C15 | C14 | C22 | S2 | 63.0° | 66.2° |
| C14 | C15 | H9 | H10 | 119.5° | 120.1° |
| C14 | C15 | C16 | H11 | 53.3° | 56.1° |
| C15 | C14 | C22 | H16 | 58.7° | 173.8° |
| C15 | C14 | N13 | H35 | 58.3° | 24.1° |
| C14 | C22 | O23 | S2 | 114.9° | 120.0° |
| C14 | C22 | O23 | H16 | 123.8° | 120.0° |
| C14 | C22 | S2 | H16 | 123.5° | 120.0° |
| C22 | C14 | C15 | H9 | 56.0° | 67.8° |
| C22 | C14 | C15 | H10 | 63.6° | 52.3° |
| C22 | C14 | N13 | H35 | 62.7° | 95.9° |
| C14 | C22 | O23 | H37 | 180.0° | 60.0° |
| C14 | C22 | S2 | O1 | 165.6° | 54.1° |
| C14 | C22 | S2 | O2 | 74.4° | 57.5° |
| C14 | C22 | S2 | O3 | 74.4° | 165.8° |
| O23 | C22 | S2 | H16 | 125.0° | 120.0° |
| O23 | C22 | C14 | H8 | 64.5° | 173.8° |
| O23 | C22 | S2 | O1 | 82.9° | 174.1° |
| O23 | C22 | S2 | O2 | 174.0° | 62.5° |
| O23 | C22 | S2 | O3 | 174.0° | 74.2° |
| S2 | C22 | C14 | H8 | 177.1° | 53.8° |
| S2 | C22 | O23 | H37 | 65.1° | 180.0° |
| C22 | S2 | O1 | O2 | 59.6° | 116.0° |
| C22 | S2 | O1 | O3 | 59.6° | 116.1° |
| C22 | S2 | O2 | O3 | 90.0° | 131.5° |
| C22 | S2 | O1 | H21 | 180.0° | 180.0° |
| H1 | C07 | C08 | H2 | 180.0° | 63.7° |
| H1 | C07 | C08 | H3 | 61.9° | 176.4° |
| H1 | C07 | N06 | H34 | 148.4° | 141.9° |
| H2 | C08 | C09 | H4 | 54.2° | 175.2° |
| H3 | C08 | C09 | H4 | 172.3° | 64.8° |
| H4 | C09 | C10 | H5 | 60.8° | 55.9° |
| H4 | C09 | C10 | H6 | 59.2° | 64.1° |
| H4 | C09 | C10 | H7 | 179.3° | 175.9° |
| H4 | C09 | C11 | H27 | 61.3° | 60.0° |
| H4 | C09 | C11 | H28 | 178.7° | 60.0° |
| H4 | C09 | C11 | H29 | 58.7° | 180.0° |
| H5 | C10 | H6 | H7 | 120.0° | 120.0° |
| H8 | C14 | C15 | H9 | 63.8° | 172.3° |
| H8 | C14 | C15 | H10 | 176.6° | 67.6° |
| H8 | C14 | C22 | H16 | 61.1° | 66.2° |
| H8 | C14 | N13 | H35 | 179.6° | 144.1° |
| H9 | C15 | C16 | H11 | 173.5° | 176.0° |
| H10 | C15 | C16 | H11 | 66.9° | 63.9° |
| H11 | C16 | C20 | H14 | 17.4° | 98.3° |
| H11 | C16 | C20 | H15 | 138.5° | 25.4° |
| H12 | C19 | C20 | H14 | 107.5° | 24.5° |
| H12 | C19 | C20 | H15 | 13.7° | 148.2° |
| H12 | C19 | N18 | H36 | 51.5° | 78.0° |
| H13 | C19 | C20 | H14 | 14.1° | 97.4° |
| H13 | C19 | C20 | H15 | 135.3° | 26.3° |
| H13 | C19 | N18 | H36 | 70.1° | 44.0° |
| H16 | C22 | O23 | H37 | 56.2° | 60.0° |
| H16 | C22 | S2 | O1 | 42.1° | 65.9° |
| H16 | C22 | S2 | O2 | 49.1° | 177.4° |
| H16 | C22 | S2 | O3 | 49.1° | 45.8° |
| H17 | C26 | H18 | H19 | 120.0° | 120.1° |
| H20 | C30 | C29 | H30 | 0.5° | 0.0° |
| H20 | C30 | C31 | H31 | 0.1° | 0.1° |
| H22 | C01 | H23 | H24 | 120.0° | 120.0° |
| H27 | C11 | H28 | H29 | 120.0° | 120.0° |
| H31 | C31 | C32 | H32 | 0.0° | 0.5° |
| H32 | C32 | C33 | H33 | 0.5° | 0.3° |
| O1 | S2 | O2 | O3 | 90.0° | 116.7° |
| O2 | S2 | O1 | H21 | 120.4° | 63.9° |
| O3 | S2 | O1 | H21 | 120.4° | 63.9° |
