WJ0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL01 | C02 | sing | 1.74Å | 1.81Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C33 | C02 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C14 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.38Å | 1.41Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.56Å | |
| C32 | C31 | doub | 1.38Å | 1.42Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.56Å | |
| C31 | C04 | sing | 1.38Å | 1.42Å | Aromatic |
| C04 | C05 | sing | 1.51Å | 1.59Å | |
| N11 | C12 | sing | 1.46Å | 1.47Å | |
| N11 | C10 | sing | 1.35Å | 1.40Å | |
| C12 | C17 | sing | 1.51Å | 1.58Å | |
| C10 | O09 | sing | 1.35Å | 1.38Å | |
| C10 | O30 | doub | 1.22Å | 1.25Å | |
| O09 | C08 | sing | 1.45Å | 1.43Å | |
| C05 | C08 | sing | 1.53Å | 1.58Å | |
| C05 | C06 | sing | 1.53Å | 1.54Å | |
| C05 | O07 | sing | 1.43Å | 1.43Å | |
| C17 | O29 | doub | 1.21Å | 1.26Å | |
| C17 | N18 | sing | 1.35Å | 1.43Å | |
| N18 | C19 | sing | 1.47Å | 1.51Å | |
| S2 | C27 | sing | 1.81Å | 1.80Å | |
| O28 | C27 | sing | 1.43Å | 1.45Å | |
| C19 | C27 | sing | 1.53Å | 1.61Å | |
| C19 | C20 | sing | 1.53Å | 1.63Å | |
| C21 | C20 | sing | 1.53Å | 1.56Å | |
| C21 | C25 | sing | 1.54Å | 1.55Å | |
| C21 | C22 | sing | 1.52Å | 1.49Å | |
| C25 | C24 | sing | 1.51Å | 1.54Å | |
| O26 | C22 | doub | 1.21Å | 1.25Å | |
| C22 | N23 | sing | 1.34Å | 1.41Å | |
| C24 | N23 | doub | 1.29Å | 1.47Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.08Å | 1.08Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C06 | H14 | sing | 1.09Å | 1.10Å | |
| C06 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H26 | sing | 1.08Å | 1.08Å | |
| C32 | H27 | sing | 1.08Å | 1.08Å | |
| C33 | H28 | sing | 1.08Å | 1.08Å | |
| N11 | H29 | sing | 0.97Å | 1.00Å | |
| N18 | H30 | sing | 0.97Å | 1.00Å | |
| O07 | H31 | sing | 0.97Å | 0.95Å | |
| O28 | H32 | sing | 0.97Å | 0.95Å | |
| S2 | O1 | sing | 1.52Å | 1.76Å | |
| S2 | O2 | doub | 1.42Å | 27.15Å | |
| S2 | O3 | doub | 1.42Å | 27.15Å | |
| O1 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL01 | C02 | C33 | 118.5° | 120.0° |
| CL01 | C02 | C03 | 119.7° | 120.0° |
| C15 | C14 | C16 | 110.7° | 109.5° |
| C15 | C14 | C13 | 112.8° | 109.4° |
| C15 | C14 | H1 | 107.4° | 109.4° |
| C14 | C15 | H2 | 109.5° | 109.5° |
| C14 | C15 | H3 | 109.4° | 109.5° |
| C14 | C15 | H4 | 109.4° | 109.5° |
| C02 | C33 | C32 | 118.7° | 120.0° |
| C33 | C02 | C03 | 121.8° | 120.0° |
| C02 | C33 | H28 | 120.6° | 120.1° |
| C33 | C32 | C31 | 120.3° | 120.0° |
| C33 | C32 | H27 | 119.9° | 120.0° |
| C32 | C33 | H28 | 120.7° | 120.0° |
| C16 | C14 | C13 | 111.0° | 109.5° |
| C16 | C14 | H1 | 107.4° | 109.5° |
| C14 | C16 | H5 | 109.5° | 109.5° |
| C14 | C16 | H6 | 109.4° | 109.5° |
| C14 | C16 | H7 | 109.5° | 109.5° |
| C02 | C03 | C04 | 120.0° | 120.0° |
| C02 | C03 | H12 | 120.0° | 120.0° |
| C14 | C13 | C12 | 112.7° | 109.5° |
| C13 | C14 | H1 | 107.2° | 109.5° |
| C14 | C13 | H19 | 108.6° | 109.4° |
| C14 | C13 | H20 | 108.6° | 109.5° |
| C32 | C31 | C04 | 120.6° | 120.0° |
| C32 | C31 | H26 | 119.7° | 120.0° |
| C31 | C32 | H27 | 119.8° | 120.0° |
| C03 | C04 | C31 | 118.6° | 120.0° |
| C03 | C04 | C05 | 122.0° | 120.0° |
| C04 | C03 | H12 | 120.0° | 120.0° |
| C13 | C12 | N11 | 110.5° | 109.5° |
| C13 | C12 | C17 | 113.7° | 109.5° |
| C13 | C12 | H18 | 107.6° | 109.5° |
| C12 | C13 | H19 | 108.7° | 109.5° |
| C12 | C13 | H20 | 108.7° | 109.5° |
| C31 | C04 | C05 | 119.4° | 120.0° |
| C04 | C31 | H26 | 119.7° | 120.0° |
| C04 | C05 | C08 | 113.5° | 109.5° |
| C04 | C05 | C06 | 111.2° | 109.5° |
| C04 | C05 | O07 | 109.7° | 109.5° |
| C12 | N11 | C10 | 124.5° | 120.0° |
| N11 | C12 | C17 | 108.6° | 109.5° |
| N11 | C12 | H18 | 108.8° | 109.5° |
| C12 | N11 | H29 | 117.7° | 120.1° |
| N11 | C10 | O09 | 123.2° | 120.0° |
| N11 | C10 | O30 | 122.6° | 120.0° |
| C10 | N11 | H29 | 117.8° | 120.0° |
| C12 | C17 | O29 | 118.3° | 120.0° |
| C12 | C17 | N18 | 124.9° | 120.0° |
| C17 | C12 | H18 | 107.5° | 109.5° |
| O09 | C10 | O30 | 114.3° | 120.0° |
| C10 | O09 | C08 | 119.9° | 117.0° |
| O09 | C08 | C05 | 114.4° | 109.5° |
| O09 | C08 | H16 | 108.2° | 109.5° |
| O09 | C08 | H17 | 108.2° | 109.5° |
| C08 | C05 | C06 | 108.7° | 109.4° |
| C08 | C05 | O07 | 104.0° | 109.5° |
| C05 | C08 | H16 | 108.2° | 109.4° |
| C05 | C08 | H17 | 108.2° | 109.5° |
| C06 | C05 | O07 | 109.5° | 109.5° |
| C05 | C06 | H13 | 109.5° | 109.5° |
| C05 | C06 | H14 | 109.4° | 109.5° |
| C05 | C06 | H15 | 109.5° | 109.4° |
| C05 | O07 | H31 | 109.5° | 114.0° |
| O29 | C17 | N18 | 116.8° | 120.0° |
| C17 | N18 | C19 | 124.2° | 120.0° |
| C17 | N18 | H30 | 117.9° | 120.0° |
| N18 | C19 | C27 | 111.8° | 109.5° |
| N18 | C19 | C20 | 111.4° | 109.5° |
| N18 | C19 | H8 | 108.2° | 109.5° |
| C19 | N18 | H30 | 117.9° | 120.0° |
| S2 | C27 | O28 | 107.6° | 109.4° |
| S2 | C27 | C19 | 108.5° | 109.5° |
| S2 | C27 | H25 | 108.8° | 109.5° |
| C27 | S2 | O1 | 100.3° | 104.4° |
| C27 | S2 | O2 | 159.5° | 110.6° |
| C27 | S2 | O3 | 159.5° | 110.6° |
| O28 | C27 | C19 | 107.0° | 109.5° |
| O28 | C27 | H25 | 113.6° | 109.5° |
| C27 | O28 | H32 | 109.5° | 113.9° |
| C27 | C19 | C20 | 111.1° | 109.5° |
| C27 | C19 | H8 | 107.1° | 109.5° |
| C19 | C27 | H25 | 111.2° | 109.5° |
| C19 | C20 | C21 | 113.8° | 109.5° |
| C20 | C19 | H8 | 106.9° | 109.5° |
| C19 | C20 | H9 | 108.4° | 109.5° |
| C19 | C20 | H10 | 108.4° | 109.5° |
| C20 | C21 | C25 | 112.4° | 110.8° |
| C20 | C21 | C22 | 114.6° | 110.8° |
| C21 | C20 | H9 | 108.4° | 109.4° |
| C21 | C20 | H10 | 108.4° | 109.5° |
| C20 | C21 | H21 | 108.8° | 110.7° |
| C25 | C21 | C22 | 102.3° | 102.7° |
| C21 | C25 | C24 | 107.1° | 103.2° |
| C25 | C21 | H21 | 108.9° | 110.8° |
| C21 | C25 | H23 | 110.1° | 110.7° |
| C21 | C25 | H24 | 110.1° | 110.6° |
| C21 | C22 | O26 | 122.4° | 125.6° |
| C21 | C22 | N23 | 115.5° | 108.7° |
| C22 | C21 | H21 | 109.7° | 110.9° |
| C25 | C24 | N23 | 108.0° | 109.9° |
| C25 | C24 | H22 | 126.0° | 125.1° |
| C24 | C25 | H23 | 110.0° | 110.7° |
| C24 | C25 | H24 | 110.1° | 110.6° |
| O26 | C22 | N23 | 122.1° | 125.7° |
| C22 | N23 | C24 | 107.0° | 115.5° |
| N23 | C24 | H22 | 126.0° | 125.0° |
| H2 | C15 | H3 | 109.5° | 109.4° |
| H2 | C15 | H4 | 109.5° | 109.5° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H5 | C16 | H6 | 109.5° | 109.4° |
| H5 | C16 | H7 | 109.5° | 109.4° |
| H6 | C16 | H7 | 109.5° | 109.5° |
| H9 | C20 | H10 | 109.5° | 109.5° |
| H13 | C06 | H14 | 109.5° | 109.4° |
| H13 | C06 | H15 | 109.5° | 109.5° |
| H14 | C06 | H15 | 109.5° | 109.5° |
| H16 | C08 | H17 | 109.5° | 109.5° |
| H19 | C13 | H20 | 109.5° | 109.4° |
| H23 | C25 | H24 | 109.5° | 110.8° |
| O1 | S2 | O2 | 97.5° | 104.2° |
| O1 | S2 | O3 | 97.5° | 104.3° |
| S2 | O1 | H11 | 109.5° | 114.0° |
| O2 | S2 | O3 | 0.0° | 121.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL01 | C02 | C33 | C03 | 179.6° | 179.7° |
| CL01 | C02 | C33 | C32 | 179.8° | 179.7° |
| CL01 | C02 | C03 | C04 | 179.9° | 179.7° |
| CL01 | C02 | C03 | H12 | 0.1° | 0.3° |
| CL01 | C02 | C33 | H28 | 0.2° | 0.3° |
| C15 | C14 | C16 | C13 | 126.1° | 119.9° |
| C15 | C14 | C16 | H1 | 117.0° | 120.0° |
| C15 | C14 | C13 | H1 | 118.0° | 120.0° |
| C15 | C14 | C13 | C12 | 179.5° | 67.2° |
| C14 | C15 | H2 | H3 | 120.0° | 120.0° |
| C14 | C15 | H2 | H4 | 120.0° | 120.0° |
| C14 | C15 | H3 | H4 | 120.0° | 120.0° |
| C15 | C14 | C16 | H5 | 180.0° | 180.0° |
| C15 | C14 | C16 | H6 | 60.0° | 60.1° |
| C15 | C14 | C16 | H7 | 60.0° | 60.0° |
| C15 | C14 | C13 | H19 | 59.0° | 172.8° |
| C15 | C14 | C13 | H20 | 60.0° | 52.9° |
| C02 | C33 | C32 | H28 | 180.0° | 180.0° |
| C02 | C33 | C32 | C31 | 0.5° | 0.0° |
| C33 | C02 | C03 | C04 | 0.5° | 0.0° |
| C33 | C02 | C03 | H12 | 179.5° | 180.0° |
| C02 | C33 | C32 | H27 | 179.5° | 180.0° |
| C32 | C33 | C02 | C03 | 0.6° | 0.0° |
| C33 | C32 | C31 | H27 | 180.0° | 179.9° |
| C33 | C32 | C31 | C04 | 0.3° | 0.0° |
| C33 | C32 | C31 | H26 | 179.7° | 179.9° |
| C16 | C14 | C13 | H1 | 117.1° | 120.1° |
| C16 | C14 | C13 | C12 | 54.5° | 172.8° |
| C16 | C14 | C15 | H2 | 180.0° | 63.8° |
| C16 | C14 | C15 | H3 | 60.0° | 176.3° |
| C16 | C14 | C15 | H4 | 60.0° | 56.2° |
| C14 | C16 | H5 | H6 | 120.0° | 120.0° |
| C14 | C16 | H5 | H7 | 120.0° | 120.0° |
| C14 | C16 | H6 | H7 | 120.0° | 120.1° |
| C16 | C14 | C13 | H19 | 65.9° | 52.8° |
| C16 | C14 | C13 | H20 | 175.0° | 67.1° |
| C02 | C03 | C04 | H12 | 180.0° | 180.0° |
| C02 | C03 | C04 | C31 | 0.3° | 0.0° |
| C02 | C03 | C04 | C05 | 179.8° | 180.0° |
| C03 | C02 | C33 | H28 | 179.4° | 180.0° |
| C14 | C13 | C12 | H19 | 120.5° | 119.9° |
| C14 | C13 | C12 | H20 | 120.5° | 120.1° |
| C14 | C13 | C12 | N11 | 60.5° | 173.2° |
| C14 | C13 | C12 | C17 | 177.1° | 66.8° |
| C13 | C14 | C15 | H2 | 54.9° | 176.2° |
| C13 | C14 | C15 | H3 | 65.1° | 56.3° |
| C13 | C14 | C15 | H4 | 174.9° | 63.7° |
| C13 | C14 | C16 | H5 | 53.9° | 60.1° |
| C13 | C14 | C16 | H6 | 173.9° | 180.0° |
| C13 | C14 | C16 | H7 | 66.1° | 59.9° |
| C14 | C13 | C12 | H18 | 58.2° | 53.2° |
| C14 | C13 | H19 | H20 | 118.5° | 120.0° |
| C32 | C31 | C04 | C03 | 0.2° | 0.0° |
| C32 | C31 | C04 | H26 | 180.0° | 179.9° |
| C32 | C31 | C04 | C05 | 179.7° | 180.0° |
| C31 | C32 | C33 | H28 | 179.5° | 180.0° |
| C03 | C04 | C31 | C05 | 179.5° | 180.0° |
| C03 | C04 | C05 | C08 | 50.7° | 150.0° |
| C03 | C04 | C05 | C06 | 72.2° | 90.0° |
| C03 | C04 | C05 | O07 | 166.5° | 30.0° |
| C03 | C04 | C31 | H26 | 179.8° | 179.9° |
| C13 | C12 | N11 | C17 | 125.3° | 120.0° |
| C13 | C12 | N11 | H18 | 118.0° | 120.0° |
| C13 | C12 | N11 | C10 | 171.6° | 81.8° |
| C13 | C12 | C17 | H18 | 119.0° | 120.0° |
| C13 | C12 | C17 | O29 | 60.3° | 101.5° |
| C13 | C12 | C17 | N18 | 121.1° | 78.4° |
| C12 | C13 | C14 | H1 | 62.5° | 52.7° |
| C12 | C13 | H19 | H20 | 118.5° | 120.1° |
| C13 | C12 | N11 | H29 | 8.4° | 98.1° |
| C31 | C04 | C05 | C08 | 129.8° | 30.0° |
| C31 | C04 | C05 | C06 | 107.3° | 89.9° |
| C31 | C04 | C05 | O07 | 14.0° | 150.0° |
| C31 | C04 | C03 | H12 | 179.7° | 180.0° |
| C04 | C31 | C32 | H27 | 179.7° | 179.9° |
| C04 | C05 | C08 | O09 | 38.3° | 175.0° |
| C04 | C05 | C08 | C06 | 124.3° | 120.0° |
| C04 | C05 | C08 | O07 | 119.1° | 120.0° |
| C04 | C05 | C06 | O07 | 121.4° | 120.0° |
| C05 | C04 | C03 | H12 | 0.2° | 0.0° |
| C04 | C05 | C06 | H13 | 180.0° | 60.0° |
| C04 | C05 | C06 | H14 | 60.0° | 180.0° |
| C04 | C05 | C06 | H15 | 60.0° | 60.0° |
| C04 | C05 | C08 | H16 | 82.4° | 55.0° |
| C04 | C05 | C08 | H17 | 159.0° | 65.0° |
| C05 | C04 | C31 | H26 | 0.3° | 0.1° |
| C04 | C05 | O07 | H31 | 180.0° | 60.0° |
| C12 | N11 | C10 | H29 | 180.0° | 180.0° |
| N11 | C12 | C17 | H18 | 117.6° | 120.0° |
| C12 | N11 | C10 | O09 | 170.0° | 175.0° |
| C12 | N11 | C10 | O30 | 9.9° | 5.1° |
| N11 | C12 | C17 | O29 | 63.1° | 18.5° |
| N11 | C12 | C17 | N18 | 115.4° | 161.6° |
| N11 | C12 | C13 | H19 | 179.1° | 66.9° |
| N11 | C12 | C13 | H20 | 60.0° | 53.1° |
| C10 | N11 | C12 | C17 | 63.1° | 158.2° |
| N11 | C10 | O09 | O30 | 179.9° | 179.9° |
| N11 | C10 | O09 | C08 | 168.0° | 180.0° |
| C10 | N11 | C12 | H18 | 53.6° | 38.2° |
| C12 | C17 | O29 | N18 | 178.7° | 180.0° |
| C12 | C17 | N18 | C19 | 179.7° | 174.6° |
| C17 | C12 | C13 | H19 | 56.7° | 53.1° |
| C17 | C12 | C13 | H20 | 62.4° | 173.1° |
| C17 | C12 | N11 | H29 | 116.9° | 21.9° |
| C12 | C17 | N18 | H30 | 0.3° | 5.3° |
| C10 | O09 | C08 | C05 | 159.2° | 180.0° |
| C10 | O09 | C08 | H16 | 38.5° | 60.1° |
| C10 | O09 | C08 | H17 | 80.1° | 60.0° |
| O09 | C10 | N11 | H29 | 10.0° | 5.0° |
| O30 | C10 | O09 | C08 | 12.0° | 0.1° |
| O30 | C10 | N11 | H29 | 170.1° | 175.0° |
| O09 | C08 | C05 | H16 | 120.7° | 120.0° |
| O09 | C08 | C05 | H17 | 120.7° | 120.0° |
| O09 | C08 | C05 | C06 | 162.6° | 55.0° |
| O09 | C08 | C05 | O07 | 80.8° | 65.0° |
| O09 | C08 | H16 | H17 | 117.7° | 120.0° |
| C08 | C05 | C06 | O07 | 113.0° | 120.0° |
| C08 | C05 | C06 | H13 | 54.3° | 60.0° |
| C08 | C05 | C06 | H14 | 174.4° | 60.0° |
| C08 | C05 | C06 | H15 | 65.7° | 180.0° |
| C05 | C08 | H16 | H17 | 117.8° | 120.0° |
| C08 | C05 | O07 | H31 | 58.3° | 60.0° |
| C05 | C06 | H13 | H14 | 120.0° | 120.0° |
| C05 | C06 | H13 | H15 | 120.0° | 120.0° |
| C05 | C06 | H14 | H15 | 120.0° | 120.0° |
| C06 | C05 | C08 | H16 | 41.8° | 65.0° |
| C06 | C05 | C08 | H17 | 76.7° | 175.0° |
| C06 | C05 | O07 | H31 | 57.7° | 179.9° |
| O07 | C05 | C06 | H13 | 58.6° | 180.0° |
| O07 | C05 | C06 | H14 | 61.4° | 60.0° |
| O07 | C05 | C06 | H15 | 178.6° | 60.0° |
| O07 | C05 | C08 | H16 | 158.4° | 175.0° |
| O07 | C05 | C08 | H17 | 39.9° | 55.0° |
| O29 | C17 | N18 | C19 | 1.1° | 5.4° |
| O29 | C17 | C12 | H18 | 179.3° | 138.5° |
| O29 | C17 | N18 | H30 | 178.9° | 174.7° |
| C17 | N18 | C19 | H30 | 180.0° | 179.9° |
| C17 | N18 | C19 | C27 | 102.5° | 111.0° |
| C17 | N18 | C19 | C20 | 132.4° | 129.1° |
| C17 | N18 | C19 | H8 | 15.2° | 9.1° |
| N18 | C17 | C12 | H18 | 2.2° | 41.5° |
| N18 | C19 | C27 | S2 | 45.7° | 64.9° |
| N18 | C19 | C27 | O28 | 70.1° | 175.1° |
| N18 | C19 | C27 | C20 | 125.2° | 120.0° |
| N18 | C19 | C27 | H8 | 118.4° | 120.0° |
| N18 | C19 | C20 | H8 | 118.1° | 120.0° |
| N18 | C19 | C20 | C21 | 51.3° | 66.6° |
| N18 | C19 | C20 | H9 | 69.3° | 53.4° |
| N18 | C19 | C20 | H10 | 171.9° | 173.4° |
| N18 | C19 | C27 | H25 | 165.4° | 55.1° |
| S2 | C27 | O28 | C19 | 116.4° | 120.0° |
| S2 | C27 | O28 | H25 | 120.5° | 120.0° |
| S2 | C27 | C19 | H25 | 119.6° | 120.0° |
| S2 | C27 | C19 | C20 | 79.4° | 175.1° |
| S2 | C27 | C19 | H8 | 164.1° | 55.1° |
| S2 | C27 | O28 | H32 | 180.0° | 180.0° |
| C27 | S2 | O1 | O2 | 169.8° | 116.1° |
| C27 | S2 | O1 | O3 | 169.8° | 116.1° |
| C27 | S2 | O2 | O3 | 90.0° | 131.6° |
| C27 | S2 | O1 | H11 | 180.0° | 180.0° |
| O28 | C27 | C19 | H25 | 124.6° | 120.0° |
| O28 | C27 | C19 | C20 | 164.8° | 55.2° |
| O28 | C27 | C19 | H8 | 48.4° | 64.9° |
| O28 | C27 | S2 | O1 | 69.8° | 178.0° |
| O28 | C27 | S2 | O2 | 140.3° | 66.4° |
| O28 | C27 | S2 | O3 | 140.3° | 70.4° |
| C27 | C19 | C20 | H8 | 116.5° | 120.0° |
| C27 | C19 | C20 | C21 | 176.7° | 173.4° |
| C27 | C19 | C20 | H9 | 56.1° | 66.6° |
| C27 | C19 | C20 | H10 | 62.7° | 53.5° |
| C27 | C19 | N18 | H30 | 77.5° | 69.1° |
| C19 | C27 | O28 | H32 | 63.6° | 60.0° |
| C19 | C27 | S2 | O1 | 174.8° | 58.0° |
| C19 | C27 | S2 | O2 | 24.9° | 53.6° |
| C19 | C27 | S2 | O3 | 24.9° | 169.6° |
| C19 | C20 | C21 | H9 | 120.6° | 120.0° |
| C19 | C20 | C21 | H10 | 120.6° | 120.0° |
| C19 | C20 | C21 | C25 | 60.5° | 168.9° |
| C19 | C20 | C21 | C22 | 176.7° | 77.8° |
| C19 | C20 | H9 | H10 | 118.0° | 120.0° |
| C19 | C20 | C21 | H21 | 60.2° | 45.6° |
| C20 | C19 | C27 | H25 | 40.2° | 64.9° |
| C20 | C19 | N18 | H30 | 47.5° | 50.9° |
| C20 | C21 | C25 | C22 | 123.4° | 118.3° |
| C20 | C21 | C25 | H21 | 120.6° | 123.2° |
| C20 | C21 | C22 | H21 | 122.7° | 123.3° |
| C20 | C21 | C25 | C24 | 121.2° | 118.3° |
| C20 | C21 | C22 | O26 | 59.9° | 61.7° |
| C20 | C21 | C22 | N23 | 120.5° | 118.3° |
| C21 | C20 | C19 | H8 | 66.8° | 53.4° |
| C21 | C20 | H9 | H10 | 118.0° | 120.0° |
| C20 | C21 | C25 | H23 | 1.6° | 0.1° |
| C20 | C21 | C25 | H24 | 119.2° | 123.3° |
| C25 | C21 | C22 | H21 | 115.5° | 118.4° |
| C21 | C25 | C24 | H23 | 119.6° | 118.4° |
| C21 | C25 | C24 | H24 | 119.7° | 118.4° |
| C25 | C21 | C22 | O26 | 178.2° | 180.0° |
| C25 | C21 | C22 | N23 | 1.4° | 0.0° |
| C21 | C25 | C24 | N23 | 2.4° | 0.0° |
| C25 | C21 | C20 | H9 | 178.9° | 71.1° |
| C25 | C21 | C20 | H10 | 60.1° | 48.9° |
| C21 | C25 | C24 | H22 | 177.6° | 180.0° |
| C21 | C25 | H23 | H24 | 121.1° | 123.1° |
| C22 | C21 | C25 | C24 | 2.2° | 0.0° |
| C21 | C22 | O26 | N23 | 179.6° | 180.0° |
| C21 | C22 | N23 | C24 | 0.1° | 0.0° |
| C22 | C21 | C20 | H9 | 62.7° | 42.2° |
| C22 | C21 | C20 | H10 | 56.0° | 162.2° |
| C22 | C21 | C25 | H23 | 121.8° | 118.4° |
| C22 | C21 | C25 | H24 | 117.5° | 118.4° |
| C25 | C24 | N23 | C22 | 1.6° | 0.0° |
| C25 | C24 | N23 | H22 | 180.0° | 179.9° |
| C24 | C25 | C21 | H21 | 118.2° | 118.5° |
| C24 | C25 | H23 | H24 | 121.1° | 123.1° |
| O26 | C22 | N23 | C24 | 179.7° | 180.0° |
| O26 | C22 | C21 | H21 | 62.8° | 61.6° |
| N23 | C22 | C21 | H21 | 116.8° | 118.4° |
| C22 | N23 | C24 | H22 | 178.4° | 180.0° |
| N23 | C24 | C25 | H23 | 122.0° | 118.4° |
| N23 | C24 | C25 | H24 | 117.3° | 118.4° |
| H1 | C14 | C15 | H2 | 63.0° | 56.3° |
| H1 | C14 | C15 | H3 | 177.0° | 63.7° |
| H1 | C14 | C15 | H4 | 57.0° | 176.3° |
| H1 | C14 | C16 | H5 | 63.0° | 60.0° |
| H1 | C14 | C16 | H6 | 57.0° | 59.9° |
| H1 | C14 | C16 | H7 | 177.0° | 180.0° |
| H1 | C14 | C13 | H19 | 177.0° | 67.2° |
| H1 | C14 | C13 | H20 | 57.9° | 172.8° |
| H2 | C15 | H3 | H4 | 120.0° | 120.0° |
| H5 | C16 | H6 | H7 | 120.0° | 120.0° |
| H8 | C19 | C20 | H9 | 172.6° | 173.3° |
| H8 | C19 | C20 | H10 | 53.8° | 66.6° |
| H8 | C19 | C27 | H25 | 76.2° | 175.1° |
| H8 | C19 | N18 | H30 | 164.8° | 170.9° |
| H9 | C20 | C21 | H21 | 60.5° | 165.6° |
| H10 | C20 | C21 | H21 | 179.2° | 74.4° |
| H13 | C06 | H14 | H15 | 120.0° | 120.0° |
| H18 | C12 | C13 | H19 | 62.2° | 173.1° |
| H18 | C12 | C13 | H20 | 178.7° | 66.9° |
| H18 | C12 | N11 | H29 | 126.4° | 141.9° |
| H21 | C21 | C25 | H23 | 122.2° | 123.1° |
| H21 | C21 | C25 | H24 | 1.4° | 0.1° |
| H22 | C24 | C25 | H23 | 58.0° | 61.5° |
| H22 | C24 | C25 | H24 | 62.8° | 61.7° |
| H25 | C27 | O28 | H32 | 59.5° | 60.0° |
| H25 | C27 | S2 | O1 | 53.7° | 62.1° |
| H25 | C27 | S2 | O2 | 96.2° | 173.6° |
| H25 | C27 | S2 | O3 | 96.2° | 49.6° |
| H26 | C31 | C32 | H27 | 0.3° | 0.0° |
| H27 | C32 | C33 | H28 | 0.5° | 0.1° |
| O1 | S2 | O2 | O3 | 90.0° | 116.7° |
| O2 | S2 | O1 | H11 | 10.2° | 63.9° |
| O3 | S2 | O1 | H11 | 10.2° | 63.9° |
