I0A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O36 | S32 | doub | 1.42Å | 1.45Å | |
| O33 | S32 | doub | 1.42Å | 1.46Å | |
| S32 | C34 | sing | 1.81Å | 1.82Å | |
| S32 | N31 | sing | 1.66Å | 1.70Å | |
| CL1 | C02 | sing | 1.74Å | 1.79Å | |
| C34 | C35 | sing | 1.53Å | 1.54Å | |
| N31 | C30 | sing | 1.36Å | 1.27Å | Aromatic |
| N31 | C37 | sing | 1.40Å | 1.37Å | Aromatic |
| C30 | C29 | doub | 1.36Å | 1.30Å | Aromatic |
| C37 | C38 | doub | 1.39Å | 1.39Å | Aromatic |
| C37 | C42 | sing | 1.41Å | 1.44Å | Aromatic |
| C02 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C28 | sing | 1.40Å | 1.40Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.41Å | Aromatic |
| C29 | C28 | sing | 1.46Å | 1.52Å | |
| C29 | C42 | sing | 1.47Å | 1.46Å | Aromatic |
| C03 | N04 | sing | 1.32Å | 1.33Å | Aromatic |
| C28 | N27 | doub | 1.33Å | 1.32Å | Aromatic |
| C42 | C41 | doub | 1.39Å | 1.40Å | Aromatic |
| C39 | O25 | sing | 1.36Å | 1.39Å | |
| C39 | C40 | doub | 1.39Å | 1.43Å | Aromatic |
| O25 | C24 | sing | 1.43Å | 1.40Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C41 | C40 | sing | 1.37Å | 1.40Å | Aromatic |
| N04 | C05 | doub | 1.32Å | 1.33Å | Aromatic |
| N27 | C05 | sing | 1.32Å | 1.31Å | Aromatic |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C05 | N06 | sing | 1.39Å | 1.47Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| N06 | C07 | sing | 1.40Å | 1.48Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C26 | C07 | doub | 1.39Å | 1.40Å | Aromatic |
| C26 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | O18 | sing | 1.43Å | 1.40Å | |
| C07 | C08 | sing | 1.39Å | 1.38Å | Aromatic |
| O18 | C17 | sing | 1.36Å | 1.41Å | |
| C17 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | N11 | sing | 1.40Å | 1.45Å | |
| C16 | N11 | sing | 1.47Å | 1.47Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| N11 | C12 | sing | 1.47Å | 1.46Å | |
| C15 | O14 | sing | 1.43Å | 1.38Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| O14 | C13 | sing | 1.43Å | 1.38Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | 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 | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.08Å | 1.08Å | |
| C30 | H25 | sing | 1.08Å | 1.08Å | |
| C34 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.09Å | 1.10Å | |
| C35 | H29 | sing | 1.09Å | 1.10Å | |
| C35 | H30 | sing | 1.09Å | 1.10Å | |
| C38 | H31 | sing | 1.08Å | 1.08Å | |
| C40 | H32 | sing | 1.08Å | 1.08Å | |
| C41 | H33 | sing | 1.08Å | 1.08Å | |
| N06 | H34 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O36 | S32 | O33 | 102.3° | 121.0° |
| O36 | S32 | C34 | 112.6° | 110.6° |
| O36 | S32 | N31 | 112.2° | 104.3° |
| O33 | S32 | C34 | 111.7° | 110.5° |
| O33 | S32 | N31 | 112.0° | 104.3° |
| C34 | S32 | N31 | 106.2° | 104.5° |
| S32 | C34 | C35 | 108.8° | 109.5° |
| S32 | C34 | H26 | 109.6° | 109.4° |
| S32 | C34 | H27 | 109.6° | 109.5° |
| S32 | N31 | C30 | 127.2° | 124.9° |
| S32 | N31 | C37 | 124.1° | 125.2° |
| CL1 | C02 | C03 | 119.6° | 120.6° |
| CL1 | C02 | C28 | 122.6° | 120.6° |
| C35 | C34 | H26 | 109.6° | 109.5° |
| C35 | C34 | H27 | 109.7° | 109.5° |
| C34 | C35 | H28 | 109.5° | 109.4° |
| C34 | C35 | H29 | 109.5° | 109.5° |
| C34 | C35 | H30 | 109.5° | 109.5° |
| C30 | N31 | C37 | 108.6° | 109.9° |
| N31 | C30 | C29 | 115.5° | 109.8° |
| N31 | C30 | H25 | 122.3° | 125.1° |
| N31 | C37 | C38 | 132.5° | 133.1° |
| N31 | C37 | C42 | 106.8° | 107.2° |
| C30 | C29 | C28 | 128.7° | 125.5° |
| C30 | C29 | C42 | 105.7° | 107.0° |
| C29 | C30 | H25 | 122.3° | 125.1° |
| C38 | C37 | C42 | 120.7° | 119.7° |
| C37 | C38 | C39 | 119.5° | 119.5° |
| C37 | C38 | H31 | 120.2° | 120.2° |
| C37 | C42 | C29 | 103.4° | 106.1° |
| C37 | C42 | C41 | 119.8° | 119.8° |
| C03 | C02 | C28 | 117.8° | 118.8° |
| C02 | C03 | N04 | 119.2° | 118.7° |
| C02 | C03 | H5 | 120.4° | 120.7° |
| C02 | C28 | C29 | 125.4° | 118.3° |
| C02 | C28 | N27 | 118.3° | 118.8° |
| C38 | C39 | O25 | 120.4° | 119.9° |
| C38 | C39 | C40 | 120.0° | 120.5° |
| C39 | C38 | H31 | 120.2° | 120.2° |
| C28 | C29 | C42 | 125.6° | 127.5° |
| C29 | C28 | N27 | 116.2° | 122.8° |
| C29 | C42 | C41 | 136.8° | 134.1° |
| C03 | N04 | C05 | 121.7° | 121.7° |
| N04 | C03 | H5 | 120.4° | 120.6° |
| C28 | N27 | C05 | 123.0° | 120.4° |
| C42 | C41 | C40 | 119.6° | 120.0° |
| C42 | C41 | H33 | 120.2° | 120.0° |
| O25 | C39 | C40 | 119.6° | 119.6° |
| C39 | O25 | C24 | 115.7° | 116.9° |
| C39 | C40 | C41 | 120.3° | 120.4° |
| C39 | C40 | H32 | 119.8° | 119.8° |
| O25 | C24 | C23 | 111.6° | 109.7° |
| O25 | C24 | H22 | 109.0° | 109.5° |
| O25 | C24 | H23 | 108.9° | 109.4° |
| C24 | C23 | C22 | 113.9° | 109.6° |
| C24 | C23 | H20 | 108.3° | 109.5° |
| C24 | C23 | H21 | 108.3° | 109.5° |
| C23 | C24 | H22 | 108.9° | 109.4° |
| C23 | C24 | H23 | 109.0° | 109.4° |
| C41 | C40 | H32 | 119.8° | 119.7° |
| C40 | C41 | H33 | 120.2° | 120.1° |
| N04 | C05 | N27 | 119.9° | 121.5° |
| N04 | C05 | N06 | 119.1° | 117.4° |
| N27 | C05 | N06 | 121.0° | 121.1° |
| C23 | C22 | C21 | 112.2° | 109.5° |
| C23 | C22 | H18 | 108.8° | 109.5° |
| C23 | C22 | H19 | 108.8° | 109.5° |
| C22 | C23 | H20 | 108.3° | 109.4° |
| C22 | C23 | H21 | 108.3° | 109.4° |
| C05 | N06 | C07 | 126.5° | 121.5° |
| C05 | N06 | H34 | 116.8° | 119.3° |
| C22 | C21 | C20 | 113.7° | 109.5° |
| C22 | C21 | H16 | 108.4° | 109.5° |
| C22 | C21 | H17 | 108.4° | 109.4° |
| C21 | C22 | H18 | 108.8° | 109.5° |
| C21 | C22 | H19 | 108.8° | 109.5° |
| N06 | C07 | C26 | 123.5° | 121.1° |
| N06 | C07 | C08 | 117.7° | 119.0° |
| C07 | N06 | H34 | 116.8° | 119.2° |
| C21 | C20 | C19 | 111.5° | 109.6° |
| C21 | C20 | H14 | 109.0° | 109.5° |
| C21 | C20 | H15 | 109.0° | 109.5° |
| C20 | C21 | H16 | 108.4° | 109.5° |
| C20 | C21 | H17 | 108.4° | 109.5° |
| C20 | C19 | O18 | 106.6° | 109.4° |
| C20 | C19 | H12 | 110.2° | 109.4° |
| C20 | C19 | H13 | 110.2° | 109.5° |
| C19 | C20 | H14 | 109.0° | 109.5° |
| C19 | C20 | H15 | 108.9° | 109.4° |
| C07 | C26 | C17 | 120.6° | 119.8° |
| C26 | C07 | C08 | 118.9° | 119.8° |
| C07 | C26 | H24 | 119.7° | 120.1° |
| C26 | C17 | O18 | 120.8° | 120.6° |
| C26 | C17 | C10 | 120.0° | 119.8° |
| C17 | C26 | H24 | 119.7° | 120.1° |
| C19 | O18 | C17 | 116.5° | 117.9° |
| O18 | C19 | H12 | 110.2° | 109.5° |
| O18 | C19 | H13 | 110.2° | 109.5° |
| C07 | C08 | C09 | 120.7° | 120.7° |
| C07 | C08 | H6 | 119.7° | 119.6° |
| O18 | C17 | C10 | 119.2° | 119.6° |
| C17 | C10 | C09 | 119.9° | 120.5° |
| C17 | C10 | N11 | 120.3° | 119.7° |
| C08 | C09 | C10 | 120.0° | 119.4° |
| C09 | C08 | H6 | 119.7° | 119.7° |
| C08 | C09 | H7 | 120.0° | 120.3° |
| C09 | C10 | N11 | 119.9° | 119.8° |
| C10 | C09 | H7 | 120.0° | 120.3° |
| C10 | N11 | C16 | 119.0° | 111.0° |
| C10 | N11 | C12 | 117.9° | 111.0° |
| N11 | C16 | C15 | 115.4° | 109.2° |
| C16 | N11 | C12 | 109.6° | 110.8° |
| N11 | C16 | H10 | 108.0° | 109.5° |
| N11 | C16 | H11 | 107.9° | 109.5° |
| C16 | C15 | O14 | 112.5° | 109.3° |
| C16 | C15 | H8 | 108.7° | 109.6° |
| C16 | C15 | H9 | 108.7° | 109.5° |
| C15 | C16 | H10 | 107.9° | 109.5° |
| C15 | C16 | H11 | 108.0° | 109.5° |
| N11 | C12 | C13 | 114.4° | 109.2° |
| N11 | C12 | H1 | 108.2° | 109.5° |
| N11 | C12 | H2 | 108.2° | 109.6° |
| C15 | O14 | C13 | 110.2° | 113.7° |
| O14 | C15 | H8 | 108.7° | 109.5° |
| O14 | C15 | H9 | 108.7° | 109.4° |
| C12 | C13 | O14 | 111.4° | 109.3° |
| C13 | C12 | H1 | 108.3° | 109.5° |
| C13 | C12 | H2 | 108.2° | 109.5° |
| C12 | C13 | H3 | 109.0° | 109.5° |
| C12 | C13 | H4 | 109.0° | 109.5° |
| O14 | C13 | H3 | 109.0° | 109.5° |
| O14 | C13 | H4 | 109.0° | 109.5° |
| H1 | C12 | H2 | 109.5° | 109.6° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.5° | 109.5° |
| H10 | C16 | H11 | 109.5° | 109.6° |
| H12 | C19 | H13 | 109.4° | 109.5° |
| H14 | C20 | H15 | 109.5° | 109.4° |
| H16 | C21 | H17 | 109.5° | 109.4° |
| H18 | C22 | H19 | 109.5° | 109.4° |
| H20 | C23 | H21 | 109.5° | 109.5° |
| H22 | C24 | H23 | 109.5° | 109.4° |
| H26 | C34 | H27 | 109.5° | 109.5° |
| H28 | C35 | H29 | 109.4° | 109.5° |
| H28 | C35 | H30 | 109.5° | 109.4° |
| H29 | C35 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O36 | S32 | O33 | C34 | 120.6° | 131.5° |
| O36 | S32 | O33 | N31 | 120.3° | 116.8° |
| O36 | S32 | C34 | N31 | 123.1° | 111.7° |
| O36 | S32 | C34 | C35 | 80.3° | 68.4° |
| O36 | S32 | N31 | C30 | 14.8° | 128.9° |
| O36 | S32 | N31 | C37 | 166.8° | 51.0° |
| O36 | S32 | C34 | H26 | 39.6° | 51.6° |
| O36 | S32 | C34 | H27 | 159.8° | 171.6° |
| O33 | S32 | C34 | N31 | 122.4° | 111.6° |
| O33 | S32 | C34 | C35 | 165.2° | 68.3° |
| O33 | S32 | N31 | C30 | 129.2° | 1.1° |
| O33 | S32 | N31 | C37 | 52.4° | 178.8° |
| O33 | S32 | C34 | H26 | 74.9° | 171.7° |
| O33 | S32 | C34 | H27 | 45.3° | 51.7° |
| S32 | C34 | C35 | H26 | 119.9° | 120.0° |
| S32 | C34 | C35 | H27 | 119.9° | 120.0° |
| C34 | S32 | N31 | C30 | 108.5° | 115.0° |
| C34 | S32 | N31 | C37 | 69.8° | 65.1° |
| S32 | C34 | H26 | H27 | 120.3° | 120.0° |
| S32 | C34 | C35 | H28 | 180.0° | 60.1° |
| S32 | C34 | C35 | H29 | 60.0° | 60.0° |
| S32 | C34 | C35 | H30 | 60.0° | 180.0° |
| N31 | S32 | C34 | C35 | 42.8° | 180.0° |
| S32 | N31 | C30 | C37 | 178.6° | 179.9° |
| S32 | N31 | C30 | C29 | 180.0° | 179.5° |
| S32 | N31 | C37 | C38 | 1.5° | 1.0° |
| S32 | N31 | C37 | C42 | 179.2° | 178.6° |
| S32 | N31 | C30 | H25 | 0.0° | 0.5° |
| N31 | S32 | C34 | H26 | 162.7° | 60.0° |
| N31 | S32 | C34 | H27 | 77.1° | 60.0° |
| CL1 | C02 | C03 | C28 | 179.8° | 180.0° |
| CL1 | C02 | C28 | C29 | 1.6° | 1.4° |
| CL1 | C02 | C03 | N04 | 179.8° | 180.0° |
| CL1 | C02 | C28 | N27 | 179.4° | 179.1° |
| CL1 | C02 | C03 | H5 | 0.2° | 0.1° |
| C35 | C34 | H26 | H27 | 120.3° | 120.0° |
| C34 | C35 | H28 | H29 | 120.0° | 120.1° |
| C34 | C35 | H28 | H30 | 120.0° | 119.9° |
| C34 | C35 | H29 | H30 | 120.0° | 120.0° |
| N31 | C30 | C29 | H25 | 180.0° | 179.9° |
| C30 | N31 | C37 | C38 | 179.8° | 178.9° |
| C30 | N31 | C37 | C42 | 0.6° | 1.6° |
| N31 | C30 | C29 | C28 | 178.5° | 179.3° |
| N31 | C30 | C29 | C42 | 1.7° | 0.6° |
| C37 | N31 | C30 | C29 | 1.5° | 0.6° |
| N31 | C37 | C38 | C42 | 179.2° | 179.5° |
| N31 | C37 | C38 | C39 | 179.9° | 178.9° |
| N31 | C37 | C42 | C29 | 0.4° | 1.8° |
| N31 | C37 | C42 | C41 | 179.8° | 177.9° |
| C37 | N31 | C30 | H25 | 178.6° | 179.4° |
| N31 | C37 | C38 | H31 | 0.1° | 1.0° |
| C30 | C29 | C42 | C37 | 1.2° | 1.5° |
| C30 | C29 | C28 | C02 | 31.1° | 1.5° |
| C30 | C29 | C28 | C42 | 176.3° | 179.8° |
| C30 | C29 | C28 | N27 | 146.7° | 179.0° |
| C30 | C29 | C42 | C41 | 179.6° | 178.2° |
| C37 | C38 | C39 | H31 | 180.0° | 179.9° |
| C38 | C37 | C42 | C29 | 179.0° | 178.5° |
| C38 | C37 | C42 | C41 | 0.4° | 1.7° |
| C37 | C38 | C39 | O25 | 179.6° | 178.8° |
| C37 | C38 | C39 | C40 | 1.1° | 1.0° |
| C42 | C37 | C38 | C39 | 0.9° | 0.6° |
| C37 | C42 | C29 | C28 | 178.2° | 178.3° |
| C37 | C42 | C29 | C41 | 179.2° | 179.7° |
| C37 | C42 | C41 | C40 | 0.1° | 1.3° |
| C42 | C37 | C38 | H31 | 179.1° | 179.5° |
| C37 | C42 | C41 | H33 | 179.9° | 178.7° |
| C03 | C02 | C28 | C29 | 178.6° | 178.6° |
| C02 | C03 | N04 | H5 | 180.0° | 179.9° |
| C03 | C02 | C28 | N27 | 0.8° | 0.9° |
| C02 | C03 | N04 | C05 | 0.5° | 1.0° |
| C02 | C28 | C29 | N27 | 177.9° | 179.5° |
| C02 | C28 | C29 | C42 | 152.6° | 178.7° |
| C28 | C02 | C03 | N04 | 0.0° | 0.0° |
| C02 | C28 | N27 | C05 | 1.1° | 0.8° |
| C28 | C02 | C03 | H5 | 180.0° | 179.9° |
| C38 | C39 | O25 | C40 | 179.3° | 179.7° |
| C38 | C39 | O25 | C24 | 59.6° | 161.4° |
| C38 | C39 | C40 | C41 | 0.8° | 1.4° |
| C38 | C39 | C40 | H32 | 179.2° | 178.6° |
| C28 | C29 | C42 | C41 | 2.6° | 2.0° |
| C29 | C28 | N27 | C05 | 179.1° | 178.7° |
| C28 | C29 | C30 | H25 | 1.5° | 0.7° |
| C42 | C29 | C28 | N27 | 29.6° | 0.8° |
| C29 | C42 | C41 | C40 | 179.1° | 179.0° |
| C42 | C29 | C30 | H25 | 178.3° | 179.5° |
| C29 | C42 | C41 | H33 | 0.9° | 1.0° |
| C03 | N04 | C05 | N27 | 0.3° | 1.2° |
| C03 | N04 | C05 | N06 | 179.7° | 178.6° |
| C28 | N27 | C05 | N04 | 0.6° | 0.3° |
| C28 | N27 | C05 | N06 | 179.5° | 177.5° |
| C42 | C41 | C40 | C39 | 0.3° | 0.3° |
| C42 | C41 | C40 | H33 | 180.0° | 180.0° |
| C42 | C41 | C40 | H32 | 179.7° | 179.8° |
| C39 | O25 | C24 | C23 | 41.9° | 44.0° |
| O25 | C39 | C40 | C41 | 179.9° | 178.3° |
| C39 | O25 | C24 | H22 | 78.4° | 76.1° |
| C39 | O25 | C24 | H23 | 162.2° | 164.0° |
| O25 | C39 | C38 | H31 | 0.4° | 1.3° |
| O25 | C39 | C40 | H32 | 0.1° | 1.7° |
| C40 | C39 | O25 | C24 | 121.1° | 18.4° |
| C39 | C40 | C41 | H32 | 180.0° | 180.0° |
| C40 | C39 | C38 | H31 | 178.9° | 179.0° |
| C39 | C40 | C41 | H33 | 179.7° | 179.8° |
| O25 | C24 | C23 | H22 | 120.3° | 120.1° |
| O25 | C24 | C23 | H23 | 120.3° | 120.0° |
| O25 | C24 | C23 | C22 | 91.9° | 167.9° |
| O25 | C24 | C23 | H20 | 28.7° | 72.1° |
| O25 | C24 | C23 | H21 | 147.5° | 47.9° |
| O25 | C24 | H22 | H23 | 119.0° | 119.9° |
| C24 | C23 | C22 | H20 | 120.6° | 120.1° |
| C24 | C23 | C22 | H21 | 120.7° | 120.0° |
| C24 | C23 | C22 | C21 | 133.9° | 166.2° |
| C24 | C23 | C22 | H18 | 105.7° | 46.2° |
| C24 | C23 | C22 | H19 | 13.5° | 73.8° |
| C24 | C23 | H20 | H21 | 118.0° | 120.0° |
| C23 | C24 | H22 | H23 | 119.0° | 119.9° |
| N04 | C05 | N27 | N06 | 180.0° | 177.3° |
| N04 | C05 | N06 | C07 | 176.3° | 118.6° |
| C05 | N04 | C03 | H5 | 179.5° | 178.9° |
| N04 | C05 | N06 | H34 | 3.7° | 61.5° |
| N27 | C05 | N06 | C07 | 3.7° | 64.0° |
| N27 | C05 | N06 | H34 | 176.4° | 115.9° |
| C23 | C22 | C21 | H18 | 120.4° | 120.0° |
| C23 | C22 | C21 | H19 | 120.4° | 120.0° |
| C23 | C22 | C21 | C20 | 47.0° | 111.8° |
| C23 | C22 | C21 | H16 | 167.6° | 128.2° |
| C23 | C22 | C21 | H17 | 73.6° | 8.2° |
| C23 | C22 | H18 | H19 | 118.7° | 120.0° |
| C22 | C23 | H20 | H21 | 117.9° | 119.9° |
| C22 | C23 | C24 | H22 | 147.8° | 47.8° |
| C22 | C23 | C24 | H23 | 28.4° | 72.1° |
| C05 | N06 | C07 | H34 | 180.0° | 180.0° |
| C05 | N06 | C07 | C26 | 10.6° | 59.3° |
| C05 | N06 | C07 | C08 | 169.6° | 123.8° |
| C22 | C21 | C20 | H16 | 120.6° | 120.0° |
| C22 | C21 | C20 | H17 | 120.6° | 120.0° |
| C22 | C21 | C20 | C19 | 154.5° | 103.5° |
| C22 | C21 | C20 | H14 | 34.2° | 16.6° |
| C22 | C21 | C20 | H15 | 85.2° | 136.5° |
| C22 | C21 | H16 | H17 | 118.1° | 119.9° |
| C21 | C22 | H18 | H19 | 118.8° | 120.0° |
| C21 | C22 | C23 | H20 | 13.2° | 73.7° |
| C21 | C22 | C23 | H21 | 105.5° | 46.2° |
| N06 | C07 | C26 | C08 | 179.8° | 176.9° |
| N06 | C07 | C26 | C17 | 179.8° | 175.2° |
| N06 | C07 | C08 | C09 | 180.0° | 175.6° |
| N06 | C07 | C08 | H6 | 0.0° | 3.8° |
| N06 | C07 | C26 | H24 | 0.3° | 4.6° |
| C21 | C20 | C19 | H14 | 120.3° | 120.1° |
| C21 | C20 | C19 | H15 | 120.3° | 120.0° |
| C21 | C20 | C19 | O18 | 11.2° | 98.0° |
| C21 | C20 | C19 | H12 | 130.8° | 142.0° |
| C21 | C20 | C19 | H13 | 108.3° | 22.0° |
| C21 | C20 | H14 | H15 | 119.1° | 119.9° |
| C20 | C21 | H16 | H17 | 118.1° | 120.0° |
| C20 | C21 | C22 | H18 | 73.4° | 8.2° |
| C20 | C21 | C22 | H19 | 167.4° | 128.2° |
| C20 | C19 | O18 | H12 | 119.6° | 120.0° |
| C20 | C19 | O18 | H13 | 119.6° | 120.0° |
| C20 | C19 | O18 | C17 | 179.2° | 151.0° |
| C20 | C19 | H12 | H13 | 121.4° | 120.0° |
| C19 | C20 | H14 | H15 | 119.1° | 119.9° |
| C19 | C20 | C21 | H16 | 84.9° | 136.5° |
| C19 | C20 | C21 | H17 | 33.9° | 16.5° |
| C07 | C26 | C17 | H24 | 180.0° | 179.7° |
| C07 | C26 | C17 | O18 | 179.3° | 178.1° |
| C07 | C26 | C17 | C10 | 0.4° | 1.2° |
| C26 | C07 | C08 | C09 | 0.2° | 1.4° |
| C26 | C07 | C08 | H6 | 179.8° | 179.2° |
| C26 | C07 | N06 | H34 | 169.3° | 120.7° |
| C26 | C17 | O18 | C19 | 68.0° | 29.4° |
| C17 | C26 | C07 | C08 | 0.0° | 1.7° |
| C26 | C17 | O18 | C10 | 178.9° | 179.3° |
| C26 | C17 | C10 | C09 | 0.5° | 0.4° |
| C26 | C17 | C10 | N11 | 180.0° | 179.9° |
| C19 | O18 | C17 | C10 | 113.1° | 149.9° |
| O18 | C19 | H12 | H13 | 121.3° | 120.0° |
| O18 | C19 | C20 | H14 | 109.1° | 142.0° |
| O18 | C19 | C20 | H15 | 131.5° | 22.1° |
| C07 | C08 | C09 | H6 | 180.0° | 179.4° |
| C07 | C08 | C09 | C10 | 0.0° | 0.5° |
| C07 | C08 | C09 | H7 | 180.0° | 179.5° |
| C08 | C07 | C26 | H24 | 179.9° | 178.5° |
| C08 | C07 | N06 | H34 | 10.4° | 56.2° |
| O18 | C17 | C10 | C09 | 179.4° | 179.0° |
| O18 | C17 | C10 | N11 | 1.1° | 0.8° |
| C17 | O18 | C19 | H12 | 59.6° | 31.1° |
| C17 | O18 | C19 | H13 | 61.3° | 89.0° |
| O18 | C17 | C26 | H24 | 0.7° | 1.6° |
| C17 | C10 | C09 | C08 | 0.3° | 0.0° |
| C17 | C10 | C09 | N11 | 179.5° | 179.8° |
| C17 | C10 | N11 | C16 | 64.2° | 119.7° |
| C17 | C10 | N11 | C12 | 159.0° | 116.6° |
| C17 | C10 | C09 | H7 | 179.7° | 180.0° |
| C10 | C17 | C26 | H24 | 179.6° | 179.0° |
| C08 | C09 | C10 | H7 | 180.0° | 180.0° |
| C08 | C09 | C10 | N11 | 179.8° | 179.8° |
| C09 | C10 | N11 | C16 | 116.3° | 60.0° |
| C09 | C10 | N11 | C12 | 20.4° | 63.6° |
| C10 | C09 | C08 | H6 | 180.0° | 179.9° |
| C10 | N11 | C16 | C12 | 140.0° | 123.8° |
| C10 | N11 | C16 | C15 | 171.8° | 177.6° |
| C10 | N11 | C12 | C13 | 170.5° | 177.6° |
| C10 | N11 | C12 | H1 | 49.7° | 57.7° |
| C10 | N11 | C12 | H2 | 68.8° | 62.5° |
| N11 | C10 | C09 | H7 | 0.2° | 0.2° |
| C10 | N11 | C16 | H10 | 50.9° | 62.5° |
| C10 | N11 | C16 | H11 | 67.4° | 57.7° |
| N11 | C16 | C15 | H10 | 120.9° | 119.9° |
| N11 | C16 | C15 | H11 | 120.9° | 119.9° |
| N11 | C16 | C15 | O14 | 9.9° | 56.9° |
| C16 | N11 | C12 | C13 | 30.0° | 58.6° |
| C16 | N11 | C12 | H1 | 90.8° | 178.5° |
| C16 | N11 | C12 | H2 | 150.7° | 61.3° |
| N11 | C16 | C15 | H8 | 110.6° | 63.1° |
| N11 | C16 | C15 | H9 | 130.3° | 176.7° |
| N11 | C16 | H10 | H11 | 117.3° | 120.1° |
| C15 | C16 | N11 | C12 | 48.2° | 58.7° |
| C16 | C15 | O14 | H8 | 120.5° | 120.0° |
| C16 | C15 | O14 | H9 | 120.5° | 119.9° |
| C16 | C15 | O14 | C13 | 48.9° | 58.7° |
| C16 | C15 | H8 | H9 | 118.6° | 120.2° |
| C15 | C16 | H10 | H11 | 117.3° | 120.2° |
| N11 | C12 | C13 | H1 | 120.7° | 119.9° |
| N11 | C12 | C13 | H2 | 120.7° | 120.0° |
| N11 | C12 | C13 | O14 | 25.4° | 56.9° |
| N11 | C12 | H1 | H2 | 117.8° | 120.2° |
| N11 | C12 | C13 | H3 | 94.9° | 176.8° |
| N11 | C12 | C13 | H4 | 145.7° | 63.1° |
| C12 | N11 | C16 | H10 | 169.1° | 61.3° |
| C12 | N11 | C16 | H11 | 72.6° | 178.6° |
| C15 | O14 | C13 | C12 | 67.9° | 58.7° |
| C15 | O14 | C13 | H3 | 52.3° | 178.6° |
| C15 | O14 | C13 | H4 | 171.8° | 61.3° |
| O14 | C15 | H8 | H9 | 118.6° | 120.0° |
| O14 | C15 | C16 | H10 | 130.7° | 63.1° |
| O14 | C15 | C16 | H11 | 111.0° | 176.7° |
| C12 | C13 | O14 | H3 | 120.3° | 119.9° |
| C12 | C13 | O14 | H4 | 120.3° | 119.9° |
| C13 | C12 | H1 | H2 | 117.7° | 120.1° |
| C12 | C13 | H3 | H4 | 119.1° | 120.0° |
| O14 | C13 | C12 | H1 | 146.1° | 176.7° |
| O14 | C13 | C12 | H2 | 95.3° | 63.1° |
| O14 | C13 | H3 | H4 | 119.1° | 120.2° |
| C13 | O14 | C15 | H8 | 169.4° | 61.3° |
| C13 | O14 | C15 | H9 | 71.5° | 178.6° |
| H1 | C12 | C13 | H3 | 25.9° | 63.3° |
| H1 | C12 | C13 | H4 | 93.6° | 56.8° |
| H2 | C12 | C13 | H3 | 144.4° | 56.8° |
| H2 | C12 | C13 | H4 | 25.0° | 176.9° |
| H6 | C08 | C09 | H7 | 0.0° | 0.0° |
| H8 | C15 | C16 | H10 | 10.3° | 177.0° |
| H8 | C15 | C16 | H11 | 128.6° | 56.8° |
| H9 | C15 | C16 | H10 | 108.8° | 56.8° |
| H9 | C15 | C16 | H11 | 9.4° | 63.4° |
| H12 | C19 | C20 | H14 | 10.4° | 22.0° |
| H12 | C19 | C20 | H15 | 109.0° | 97.9° |
| H13 | C19 | C20 | H14 | 131.3° | 98.0° |
| H13 | C19 | C20 | H15 | 11.9° | 142.1° |
| H14 | C20 | C21 | H16 | 154.8° | 103.4° |
| H14 | C20 | C21 | H17 | 86.4° | 136.6° |
| H15 | C20 | C21 | H16 | 35.4° | 16.5° |
| H15 | C20 | C21 | H17 | 154.2° | 103.5° |
| H16 | C21 | C22 | H18 | 47.2° | 111.8° |
| H16 | C21 | C22 | H19 | 72.0° | 8.1° |
| H17 | C21 | C22 | H18 | 166.0° | 128.3° |
| H17 | C21 | C22 | H19 | 46.8° | 111.8° |
| H18 | C22 | C23 | H20 | 133.6° | 166.2° |
| H18 | C22 | C23 | H21 | 14.9° | 73.8° |
| H19 | C22 | C23 | H20 | 107.2° | 46.3° |
| H19 | C22 | C23 | H21 | 134.1° | 166.2° |
| H20 | C23 | C24 | H22 | 91.6° | 167.8° |
| H20 | C23 | C24 | H23 | 149.0° | 47.9° |
| H21 | C23 | C24 | H22 | 27.1° | 72.2° |
| H21 | C23 | C24 | H23 | 92.3° | 167.9° |
| H26 | C34 | C35 | H28 | 60.1° | 59.9° |
| H26 | C34 | C35 | H29 | 179.9° | 180.0° |
| H26 | C34 | C35 | H30 | 59.9° | 60.0° |
| H27 | C34 | C35 | H28 | 60.1° | 179.9° |
| H27 | C34 | C35 | H29 | 59.9° | 60.0° |
| H27 | C34 | C35 | H30 | 179.9° | 60.0° |
| H28 | C35 | H29 | H30 | 119.9° | 120.0° |
| H32 | C40 | C41 | H33 | 0.3° | 0.2° |
