IZ8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | S18 | doub | 1.42Å | 1.51Å | |
| O21 | S18 | doub | 1.42Å | 1.51Å | |
| S18 | O19 | sing | 1.52Å | 1.51Å | |
| S18 | C17 | sing | 1.76Å | 1.81Å | |
| N16 | C15 | sing | 1.39Å | 1.45Å | |
| O53 | S52 | doub | 1.42Å | 1.51Å | |
| O48 | S46 | doub | 1.42Å | 1.51Å | |
| O47 | S46 | doub | 1.42Å | 1.51Å | |
| C17 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.41Å | 1.43Å | Aromatic |
| O13 | C12 | sing | 1.35Å | 1.40Å | |
| S46 | C45 | sing | 1.76Å | 1.82Å | |
| S46 | O49 | sing | 1.52Å | 1.51Å | |
| C07 | C06 | doub | 1.37Å | 1.38Å | Aromatic |
| C07 | C08 | sing | 1.40Å | 1.39Å | Aromatic |
| O55 | S52 | doub | 1.42Å | 1.51Å | |
| C50 | C45 | doub | 1.39Å | 1.40Å | Aromatic |
| C50 | C51 | sing | 1.36Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.36Å | 1.39Å | Aromatic |
| S52 | C51 | sing | 1.76Å | 1.82Å | |
| S52 | O54 | sing | 1.52Å | 1.51Å | |
| C45 | C43 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.40Å | 1.38Å | Aromatic |
| C12 | C14 | sing | 1.41Å | 1.43Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C28 | sing | 1.42Å | 1.36Å | Aromatic |
| C51 | C56 | doub | 1.40Å | 1.42Å | Aromatic |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C43 | N44 | sing | 1.39Å | 1.45Å | |
| C43 | C42 | doub | 1.41Å | 1.43Å | Aromatic |
| C56 | C42 | sing | 1.42Å | 1.36Å | Aromatic |
| C56 | C57 | sing | 1.41Å | 1.43Å | Aromatic |
| C42 | C40 | sing | 1.41Å | 1.43Å | Aromatic |
| N09 | C08 | sing | 1.37Å | 1.45Å | |
| N09 | N10 | doub | 1.29Å | 1.21Å | |
| O25 | S24 | doub | 1.42Å | 1.51Å | |
| C23 | C28 | doub | 1.40Å | 1.43Å | Aromatic |
| C23 | S24 | sing | 1.76Å | 1.81Å | |
| C11 | N10 | sing | 1.36Å | 1.45Å | |
| C11 | C30 | sing | 1.41Å | 1.40Å | Aromatic |
| C57 | C58 | doub | 1.36Å | 1.39Å | Aromatic |
| C08 | C31 | doub | 1.40Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.41Å | 1.43Å | Aromatic |
| C03 | C02 | doub | 1.37Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| C40 | O41 | sing | 1.36Å | 1.40Å | |
| C40 | C39 | doub | 1.40Å | 1.39Å | Aromatic |
| C02 | C36 | sing | 1.40Å | 1.38Å | Aromatic |
| C58 | C39 | sing | 1.41Å | 1.40Å | Aromatic |
| C05 | C04 | sing | 1.48Å | 1.52Å | |
| C05 | C33 | doub | 1.40Å | 1.39Å | Aromatic |
| C39 | N38 | sing | 1.36Å | 1.45Å | |
| C30 | C29 | doub | 1.36Å | 1.39Å | Aromatic |
| C04 | C34 | doub | 1.40Å | 1.38Å | Aromatic |
| S24 | O27 | doub | 1.42Å | 1.51Å | |
| S24 | O26 | sing | 1.52Å | 1.51Å | |
| N38 | N37 | doub | 1.29Å | 1.21Å | |
| C31 | C33 | sing | 1.37Å | 1.38Å | Aromatic |
| C31 | C32 | sing | 1.51Å | 1.53Å | |
| C36 | N37 | sing | 1.36Å | 1.45Å | |
| C36 | C35 | doub | 1.40Å | 1.38Å | Aromatic |
| C34 | C35 | sing | 1.37Å | 1.38Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| O13 | H7 | sing | 0.97Å | 0.95Å | |
| N16 | H8 | sing | 0.97Å | 1.00Å | |
| N16 | H9 | sing | 0.97Å | 1.00Å | |
| C22 | H10 | sing | 1.08Å | 1.08Å | |
| C29 | H11 | sing | 1.08Å | 1.08Å | |
| C30 | H12 | sing | 1.08Å | 1.08Å | |
| C32 | H13 | sing | 1.09Å | 1.10Å | |
| C32 | H14 | sing | 1.09Å | 1.10Å | |
| C32 | H15 | sing | 1.09Å | 1.10Å | |
| C33 | H16 | sing | 1.08Å | 1.08Å | |
| C34 | H17 | sing | 1.08Å | 1.08Å | |
| C35 | H18 | sing | 1.08Å | 1.08Å | |
| O41 | H21 | sing | 0.97Å | 0.95Å | |
| N44 | H22 | sing | 0.97Å | 1.00Å | |
| N44 | H23 | sing | 0.97Å | 1.00Å | |
| C50 | H24 | sing | 1.08Å | 1.08Å | |
| C57 | H25 | sing | 1.08Å | 1.08Å | |
| C58 | H26 | sing | 1.08Å | 1.08Å | |
| O19 | H27 | sing | 0.97Å | 0.95Å | |
| O26 | H28 | sing | 0.97Å | 0.95Å | |
| O49 | H19 | sing | 0.97Å | 0.95Å | |
| O54 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O20 | S18 | O21 | 111.3° | 123.2° |
| O20 | S18 | O19 | 111.3° | 106.4° |
| O20 | S18 | C17 | 110.4° | 106.4° |
| O21 | S18 | O19 | 101.1° | 106.4° |
| O21 | S18 | C17 | 111.2° | 106.4° |
| O19 | S18 | C17 | 111.3° | 107.2° |
| S18 | O19 | H27 | 109.5° | 114.0° |
| S18 | C17 | C15 | 119.8° | 119.6° |
| S18 | C17 | C22 | 120.1° | 119.7° |
| N16 | C15 | C17 | 120.1° | 120.3° |
| N16 | C15 | C14 | 119.9° | 120.3° |
| C15 | N16 | H8 | 109.5° | 120.0° |
| C15 | N16 | H9 | 109.4° | 120.0° |
| O53 | S52 | O55 | 101.2° | 123.2° |
| O53 | S52 | C51 | 111.3° | 106.4° |
| O53 | S52 | O54 | 111.2° | 106.4° |
| O48 | S46 | O47 | 111.3° | 123.1° |
| O48 | S46 | C45 | 110.3° | 106.4° |
| O48 | S46 | O49 | 111.2° | 106.4° |
| O47 | S46 | C45 | 111.2° | 106.4° |
| O47 | S46 | O49 | 101.2° | 106.4° |
| C15 | C17 | C22 | 120.0° | 120.7° |
| C17 | C15 | C14 | 120.0° | 119.4° |
| C17 | C22 | C23 | 120.1° | 121.1° |
| C17 | C22 | H10 | 119.9° | 119.4° |
| C15 | C14 | C12 | 119.8° | 121.1° |
| C15 | C14 | C28 | 119.9° | 119.4° |
| O13 | C12 | C14 | 119.9° | 120.4° |
| O13 | C12 | C11 | 119.9° | 120.3° |
| C12 | O13 | H7 | 109.5° | 114.0° |
| C45 | S46 | O49 | 111.3° | 107.2° |
| S46 | C45 | C50 | 120.1° | 119.7° |
| S46 | C45 | C43 | 119.9° | 119.7° |
| S46 | O49 | H19 | 109.5° | 114.0° |
| C06 | C07 | C08 | 120.0° | 120.0° |
| C07 | C06 | C05 | 120.0° | 120.0° |
| C07 | C06 | H5 | 120.0° | 120.0° |
| C06 | C07 | H6 | 120.0° | 120.0° |
| C07 | C08 | N09 | 119.9° | 120.0° |
| C07 | C08 | C31 | 120.1° | 119.9° |
| C08 | C07 | H6 | 120.0° | 120.0° |
| O55 | S52 | C51 | 111.4° | 106.4° |
| O55 | S52 | O54 | 111.3° | 106.4° |
| C45 | C50 | C51 | 120.1° | 121.1° |
| C50 | C45 | C43 | 120.0° | 120.6° |
| C45 | C50 | H24 | 120.0° | 119.5° |
| C50 | C51 | S52 | 119.9° | 120.0° |
| C50 | C51 | C56 | 120.1° | 120.1° |
| C51 | C50 | H24 | 120.0° | 119.4° |
| C22 | C23 | C28 | 119.9° | 120.0° |
| C22 | C23 | S24 | 120.0° | 120.0° |
| C23 | C22 | H10 | 119.9° | 119.5° |
| C51 | S52 | O54 | 110.3° | 107.2° |
| S52 | C51 | C56 | 120.0° | 120.0° |
| S52 | O54 | H20 | 109.5° | 114.0° |
| C45 | C43 | N44 | 120.0° | 120.3° |
| C45 | C43 | C42 | 119.9° | 119.4° |
| C06 | C05 | C04 | 118.8° | 119.9° |
| C06 | C05 | C33 | 120.0° | 120.1° |
| C05 | C06 | H5 | 120.0° | 120.0° |
| C14 | C12 | C11 | 120.1° | 119.3° |
| C12 | C14 | C28 | 119.9° | 119.6° |
| C12 | C11 | N10 | 119.4° | 119.9° |
| C12 | C11 | C30 | 119.9° | 120.3° |
| C14 | C28 | C23 | 120.0° | 119.4° |
| C14 | C28 | C29 | 120.0° | 119.8° |
| C51 | C56 | C42 | 120.0° | 119.4° |
| C51 | C56 | C57 | 120.1° | 120.9° |
| C01 | C02 | C03 | 119.9° | 120.0° |
| C01 | C02 | C36 | 120.0° | 120.0° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.4° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| N44 | C43 | C42 | 119.9° | 120.3° |
| C43 | N44 | H22 | 109.5° | 120.0° |
| C43 | N44 | H23 | 109.4° | 120.0° |
| C43 | C42 | C56 | 120.0° | 119.4° |
| C43 | C42 | C40 | 120.1° | 121.1° |
| C42 | C56 | C57 | 119.9° | 119.7° |
| C56 | C42 | C40 | 119.9° | 119.5° |
| C56 | C57 | C58 | 120.1° | 120.2° |
| C56 | C57 | H25 | 120.0° | 119.8° |
| C42 | C40 | O41 | 119.9° | 120.3° |
| C42 | C40 | C39 | 120.0° | 119.3° |
| C08 | N09 | N10 | 120.0° | 120.0° |
| N09 | C08 | C31 | 119.9° | 120.0° |
| N09 | N10 | C11 | 120.0° | 120.0° |
| O25 | S24 | C23 | 111.3° | 106.4° |
| O25 | S24 | O27 | 101.1° | 123.1° |
| O25 | S24 | O26 | 111.3° | 106.4° |
| C28 | C23 | S24 | 120.0° | 120.0° |
| C23 | C28 | C29 | 119.6° | 120.8° |
| C23 | S24 | O27 | 111.3° | 106.4° |
| C23 | S24 | O26 | 110.3° | 107.2° |
| N10 | C11 | C30 | 120.0° | 119.8° |
| C11 | C30 | C29 | 120.1° | 120.9° |
| C11 | C30 | H12 | 120.0° | 119.6° |
| C57 | C58 | C39 | 120.1° | 120.9° |
| C58 | C57 | H25 | 120.0° | 119.9° |
| C57 | C58 | H26 | 120.0° | 119.5° |
| C08 | C31 | C33 | 120.0° | 120.0° |
| C08 | C31 | C32 | 120.0° | 120.0° |
| C28 | C29 | C30 | 120.0° | 120.2° |
| C28 | C29 | H11 | 120.0° | 119.9° |
| C02 | C03 | C04 | 120.0° | 120.1° |
| C03 | C02 | C36 | 120.1° | 120.0° |
| C02 | C03 | H4 | 120.0° | 120.0° |
| C03 | C04 | C05 | 119.7° | 120.0° |
| C03 | C04 | C34 | 119.9° | 120.0° |
| C04 | C03 | H4 | 120.0° | 119.9° |
| O41 | C40 | C39 | 119.9° | 120.4° |
| C40 | O41 | H21 | 109.5° | 114.0° |
| C40 | C39 | C58 | 120.0° | 120.4° |
| C40 | C39 | N38 | 119.6° | 119.8° |
| C02 | C36 | N37 | 120.1° | 120.0° |
| C02 | C36 | C35 | 119.8° | 120.0° |
| C58 | C39 | N38 | 119.8° | 119.8° |
| C39 | C58 | H26 | 120.0° | 119.6° |
| C04 | C05 | C33 | 119.9° | 120.0° |
| C05 | C04 | C34 | 119.6° | 120.0° |
| C05 | C33 | C31 | 120.0° | 120.0° |
| C05 | C33 | H16 | 120.0° | 120.0° |
| C39 | N38 | N37 | 120.1° | 120.0° |
| C30 | C29 | H11 | 120.0° | 119.9° |
| C29 | C30 | H12 | 119.9° | 119.5° |
| C04 | C34 | C35 | 120.0° | 120.1° |
| C04 | C34 | H17 | 120.0° | 119.9° |
| O27 | S24 | O26 | 111.3° | 106.4° |
| S24 | O26 | H28 | 109.5° | 114.0° |
| N38 | N37 | C36 | 120.1° | 120.0° |
| C33 | C31 | C32 | 120.0° | 120.0° |
| C31 | C33 | H16 | 120.0° | 120.0° |
| C31 | C32 | H13 | 109.5° | 109.5° |
| C31 | C32 | H14 | 109.5° | 109.5° |
| C31 | C32 | H15 | 109.5° | 109.4° |
| N37 | C36 | C35 | 119.6° | 120.0° |
| C36 | C35 | C34 | 120.2° | 119.9° |
| C36 | C35 | H18 | 119.9° | 120.1° |
| C35 | C34 | H17 | 120.0° | 120.0° |
| C34 | C35 | H18 | 119.9° | 120.0° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.6° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H8 | N16 | H9 | 109.5° | 119.9° |
| H13 | C32 | H14 | 109.5° | 109.5° |
| H13 | C32 | H15 | 109.5° | 109.5° |
| H14 | C32 | H15 | 109.5° | 109.5° |
| H22 | N44 | H23 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | S18 | O21 | O19 | 118.3° | 123.0° |
| O20 | S18 | O21 | C17 | 123.5° | 123.0° |
| O20 | S18 | O19 | C17 | 123.6° | 113.5° |
| O20 | S18 | C17 | C15 | 23.3° | 162.9° |
| O20 | S18 | C17 | C22 | 158.0° | 17.1° |
| O20 | S18 | O19 | H27 | 118.2° | 66.4° |
| O21 | S18 | O19 | C17 | 118.2° | 113.5° |
| O21 | S18 | C17 | C15 | 147.3° | 30.0° |
| O21 | S18 | C17 | C22 | 34.0° | 150.1° |
| O21 | S18 | O19 | H27 | 0.0° | 66.5° |
| O19 | S18 | C17 | C15 | 100.8° | 83.5° |
| O19 | S18 | C17 | C22 | 77.9° | 96.4° |
| S18 | C17 | C15 | N16 | 3.7° | 0.0° |
| S18 | C17 | C15 | C22 | 178.7° | 180.0° |
| S18 | C17 | C15 | C14 | 178.7° | 180.0° |
| S18 | C17 | C22 | C23 | 178.6° | 180.0° |
| S18 | C17 | C22 | H10 | 1.4° | 0.0° |
| C17 | S18 | O19 | H27 | 118.2° | 180.0° |
| N16 | C15 | C17 | C14 | 177.7° | 180.0° |
| N16 | C15 | C17 | C22 | 177.6° | 180.0° |
| N16 | C15 | C14 | C12 | 4.6° | 0.0° |
| N16 | C15 | C14 | C28 | 177.8° | 180.0° |
| C15 | N16 | H8 | H9 | 120.0° | 180.0° |
| O53 | S52 | O55 | C51 | 118.4° | 123.0° |
| O53 | S52 | O55 | O54 | 118.1° | 122.9° |
| O53 | S52 | C51 | C50 | 101.7° | 15.5° |
| O53 | S52 | C51 | O54 | 123.9° | 113.6° |
| O53 | S52 | C51 | C56 | 79.4° | 164.6° |
| O53 | S52 | O54 | H20 | 111.9° | 66.4° |
| O48 | S46 | O47 | C45 | 123.4° | 123.0° |
| O48 | S46 | O47 | O49 | 118.3° | 122.9° |
| O48 | S46 | C45 | O49 | 124.0° | 113.5° |
| O48 | S46 | C45 | C50 | 140.0° | 149.5° |
| O48 | S46 | C45 | C43 | 43.3° | 30.5° |
| O48 | S46 | O49 | H19 | 118.3° | 66.4° |
| O47 | S46 | C45 | O49 | 112.0° | 113.5° |
| O47 | S46 | C45 | C50 | 16.0° | 16.6° |
| O47 | S46 | C45 | C43 | 167.3° | 163.4° |
| O47 | S46 | O49 | H19 | 0.0° | 66.4° |
| C15 | C17 | C22 | C23 | 0.1° | 0.1° |
| C17 | C15 | C14 | C12 | 173.1° | 180.0° |
| C17 | C15 | C14 | C28 | 0.1° | 0.0° |
| C17 | C15 | N16 | H8 | 180.0° | 32.9° |
| C17 | C15 | N16 | H9 | 60.0° | 147.1° |
| C15 | C17 | C22 | H10 | 179.9° | 180.0° |
| C22 | C17 | C15 | C14 | 0.0° | 0.0° |
| C17 | C22 | C23 | H10 | 180.0° | 179.9° |
| C17 | C22 | C23 | C28 | 0.1° | 0.1° |
| C17 | C22 | C23 | S24 | 179.0° | 180.0° |
| C15 | C14 | C12 | O13 | 10.6° | 0.0° |
| C15 | C14 | C12 | C28 | 173.2° | 180.0° |
| C15 | C14 | C12 | C11 | 173.1° | 180.0° |
| C15 | C14 | C28 | C23 | 0.2° | 0.0° |
| C15 | C14 | C28 | C29 | 173.1° | 180.0° |
| C14 | C15 | N16 | H8 | 2.4° | 147.1° |
| C14 | C15 | N16 | H9 | 117.7° | 32.9° |
| O13 | C12 | C14 | C11 | 176.4° | 180.0° |
| O13 | C12 | C14 | C28 | 176.2° | 180.0° |
| O13 | C12 | C11 | N10 | 5.6° | 0.0° |
| O13 | C12 | C11 | C30 | 176.3° | 179.7° |
| S46 | C45 | C50 | C43 | 176.7° | 180.0° |
| S46 | C45 | C50 | C51 | 176.8° | 180.0° |
| S46 | C45 | C43 | N44 | 6.8° | 0.0° |
| S46 | C45 | C43 | C42 | 176.8° | 180.0° |
| S46 | C45 | C50 | H24 | 3.3° | 0.0° |
| C45 | S46 | O49 | H19 | 118.3° | 180.0° |
| O49 | S46 | C45 | C50 | 96.1° | 97.0° |
| O49 | S46 | C45 | C43 | 80.7° | 83.0° |
| C06 | C07 | C08 | H6 | 180.0° | 180.0° |
| C07 | C06 | C05 | H5 | 180.0° | 180.0° |
| C06 | C07 | C08 | N09 | 175.1° | 180.0° |
| C06 | C07 | C08 | C31 | 0.2° | 0.0° |
| C07 | C06 | C05 | C04 | 167.0° | 180.0° |
| C07 | C06 | C05 | C33 | 0.0° | 0.3° |
| C08 | C07 | C06 | C05 | 0.1° | 0.0° |
| C07 | C08 | N09 | C31 | 175.0° | 180.0° |
| C07 | C08 | N09 | N10 | 145.9° | 0.0° |
| C07 | C08 | C31 | C33 | 0.1° | 0.3° |
| C07 | C08 | C31 | C32 | 177.6° | 180.0° |
| C08 | C07 | C06 | H5 | 179.9° | 180.0° |
| O55 | S52 | C51 | C50 | 10.4° | 148.4° |
| O55 | S52 | C51 | O54 | 124.1° | 113.5° |
| O55 | S52 | C51 | C56 | 168.6° | 31.7° |
| O55 | S52 | O54 | H20 | 0.0° | 66.5° |
| C45 | C50 | C51 | H24 | 180.0° | 180.0° |
| C45 | C50 | C51 | S52 | 178.9° | 180.0° |
| C45 | C50 | C51 | C56 | 0.0° | 0.0° |
| C50 | C45 | C43 | N44 | 176.5° | 180.0° |
| C50 | C45 | C43 | C42 | 0.0° | 0.0° |
| C50 | C51 | S52 | C56 | 178.9° | 179.9° |
| C50 | C51 | S52 | O54 | 134.4° | 98.1° |
| C51 | C50 | C45 | C43 | 0.0° | 0.0° |
| C50 | C51 | C56 | C42 | 0.1° | 0.1° |
| C50 | C51 | C56 | C57 | 178.2° | 180.0° |
| C22 | C23 | C28 | C14 | 0.1° | 0.0° |
| C22 | C23 | S24 | O25 | 73.2° | 143.6° |
| C22 | C23 | C28 | S24 | 179.1° | 180.0° |
| C22 | C23 | C28 | C29 | 173.0° | 179.9° |
| C22 | C23 | S24 | O27 | 38.7° | 83.6° |
| C22 | C23 | S24 | O26 | 162.7° | 30.0° |
| S52 | C51 | C56 | C42 | 178.9° | 180.0° |
| S52 | C51 | C56 | C57 | 0.8° | 0.1° |
| S52 | C51 | C50 | H24 | 1.1° | 0.0° |
| C51 | S52 | O54 | H20 | 124.1° | 180.0° |
| O54 | S52 | C51 | C56 | 44.5° | 81.8° |
| C45 | C43 | N44 | C42 | 176.4° | 180.0° |
| C45 | C43 | C42 | C56 | 0.0° | 0.1° |
| C45 | C43 | C42 | C40 | 178.2° | 180.0° |
| C45 | C43 | N44 | H22 | 180.0° | 32.8° |
| C45 | C43 | N44 | H23 | 60.0° | 147.2° |
| C43 | C45 | C50 | H24 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 76.4° | 0.3° |
| C06 | C05 | C04 | C33 | 166.9° | 179.7° |
| C06 | C05 | C04 | C34 | 93.2° | 179.7° |
| C06 | C05 | C33 | C31 | 0.1° | 0.6° |
| C05 | C06 | C07 | H6 | 179.9° | 180.0° |
| C06 | C05 | C33 | H16 | 180.0° | 179.7° |
| C12 | C14 | C28 | C23 | 173.0° | 180.0° |
| C14 | C12 | C11 | N10 | 170.7° | 180.0° |
| C14 | C12 | C11 | C30 | 0.0° | 0.2° |
| C12 | C14 | C28 | C29 | 0.1° | 0.0° |
| C14 | C12 | O13 | H7 | 180.0° | 90.0° |
| C11 | C12 | C14 | C28 | 0.1° | 0.0° |
| C12 | C11 | N10 | N09 | 132.3° | 179.7° |
| C12 | C11 | N10 | C30 | 170.7° | 179.7° |
| C12 | C11 | C30 | C29 | 0.1° | 0.5° |
| C11 | C12 | O13 | H7 | 3.7° | 90.0° |
| C12 | C11 | C30 | H12 | 180.0° | 179.7° |
| C14 | C28 | C23 | C29 | 172.9° | 180.0° |
| C14 | C28 | C23 | S24 | 179.2° | 180.0° |
| C14 | C28 | C29 | C30 | 0.0° | 0.2° |
| C14 | C28 | C29 | H11 | 180.0° | 179.9° |
| C51 | C56 | C42 | C43 | 0.1° | 0.1° |
| C51 | C56 | C42 | C57 | 178.1° | 179.9° |
| C51 | C56 | C42 | C40 | 178.2° | 180.0° |
| C51 | C56 | C57 | C58 | 178.1° | 179.7° |
| C56 | C51 | C50 | H24 | 180.0° | 180.0° |
| C51 | C56 | C57 | H25 | 1.9° | 0.1° |
| C01 | C02 | C03 | C36 | 178.8° | 179.7° |
| C01 | C02 | C03 | C04 | 178.8° | 179.9° |
| C01 | C02 | C36 | N37 | 6.5° | 0.0° |
| C01 | C02 | C36 | C35 | 178.9° | 179.7° |
| C02 | C01 | H1 | H2 | 120.0° | 119.9° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C03 | H4 | 1.2° | 0.0° |
| N44 | C43 | C42 | C56 | 176.4° | 179.9° |
| N44 | C43 | C42 | C40 | 5.4° | 0.1° |
| C43 | N44 | H22 | H23 | 120.0° | 180.0° |
| C43 | C42 | C56 | C40 | 178.2° | 179.9° |
| C43 | C42 | C56 | C57 | 178.2° | 180.0° |
| C43 | C42 | C40 | O41 | 6.0° | 0.1° |
| C43 | C42 | C40 | C39 | 178.1° | 179.9° |
| C42 | C43 | N44 | H22 | 3.6° | 147.2° |
| C42 | C43 | N44 | H23 | 123.5° | 32.8° |
| C42 | C56 | C57 | C58 | 0.0° | 0.4° |
| C56 | C42 | C40 | O41 | 175.8° | 180.0° |
| C56 | C42 | C40 | C39 | 0.1° | 0.1° |
| C42 | C56 | C57 | H25 | 180.0° | 180.0° |
| C57 | C56 | C42 | C40 | 0.1° | 0.1° |
| C56 | C57 | C58 | H25 | 180.0° | 179.6° |
| C56 | C57 | C58 | C39 | 0.0° | 0.6° |
| C56 | C57 | C58 | H26 | 180.0° | 179.9° |
| C42 | C40 | O41 | C39 | 175.9° | 180.0° |
| C42 | C40 | C39 | C58 | 0.1° | 0.3° |
| C42 | C40 | C39 | N38 | 171.0° | 180.0° |
| C42 | C40 | O41 | H21 | 180.0° | 90.1° |
| C08 | N09 | N10 | C11 | 179.4° | 180.0° |
| N09 | C08 | C31 | C33 | 175.1° | 179.7° |
| N09 | C08 | C31 | C32 | 7.4° | 0.0° |
| N09 | C08 | C07 | H6 | 4.9° | 0.0° |
| N09 | N10 | C11 | C30 | 57.0° | 0.0° |
| N10 | N09 | C08 | C31 | 39.1° | 180.0° |
| O25 | S24 | C23 | C28 | 107.7° | 36.5° |
| O25 | S24 | C23 | O27 | 112.0° | 132.8° |
| O25 | S24 | C23 | O26 | 124.0° | 113.6° |
| O25 | S24 | O27 | O26 | 118.3° | 123.0° |
| O25 | S24 | O26 | H28 | 0.0° | 66.4° |
| C23 | C28 | C29 | C30 | 173.0° | 179.8° |
| C28 | C23 | S24 | O27 | 140.3° | 96.4° |
| C28 | C23 | S24 | O26 | 16.3° | 150.1° |
| C28 | C23 | C22 | H10 | 180.0° | 180.0° |
| C23 | C28 | C29 | H11 | 7.1° | 0.1° |
| S24 | C23 | C28 | C29 | 7.9° | 0.0° |
| C23 | S24 | O27 | O26 | 123.4° | 114.1° |
| S24 | C23 | C22 | H10 | 1.0° | 0.0° |
| C23 | S24 | O26 | H28 | 124.0° | 180.0° |
| N10 | C11 | C30 | C29 | 170.6° | 179.8° |
| N10 | C11 | C30 | H12 | 9.4° | 0.0° |
| C11 | C30 | C29 | C28 | 0.1° | 0.5° |
| C11 | C30 | C29 | H12 | 180.0° | 179.8° |
| C11 | C30 | C29 | H11 | 179.9° | 179.7° |
| C57 | C58 | C39 | C40 | 0.0° | 0.6° |
| C57 | C58 | C39 | H26 | 180.0° | 179.5° |
| C57 | C58 | C39 | N38 | 171.1° | 179.7° |
| C08 | C31 | C33 | C05 | 0.0° | 0.6° |
| C08 | C31 | C33 | C32 | 177.5° | 179.7° |
| C31 | C08 | C07 | H6 | 179.9° | 180.0° |
| C08 | C31 | C32 | H13 | 91.2° | 90.0° |
| C08 | C31 | C32 | H14 | 148.8° | 150.0° |
| C08 | C31 | C32 | H15 | 28.7° | 30.1° |
| C08 | C31 | C33 | H16 | 180.0° | 179.7° |
| C28 | C29 | C30 | H11 | 180.0° | 179.8° |
| C28 | C29 | C30 | H12 | 179.9° | 179.7° |
| C02 | C03 | C04 | H4 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 169.4° | 180.0° |
| C02 | C03 | C04 | C34 | 0.1° | 0.1° |
| C03 | C02 | C36 | N37 | 172.4° | 179.7° |
| C03 | C02 | C36 | C35 | 0.1° | 0.6° |
| C03 | C02 | C01 | H1 | 90.6° | 89.7° |
| C03 | C02 | C01 | H2 | 149.4° | 30.3° |
| C03 | C02 | C01 | H3 | 29.4° | 150.2° |
| C04 | C03 | C02 | C36 | 0.1° | 0.3° |
| C03 | C04 | C05 | C34 | 169.6° | 179.9° |
| C03 | C04 | C05 | C33 | 116.6° | 180.0° |
| C03 | C04 | C34 | C35 | 0.1° | 0.1° |
| C03 | C04 | C34 | H17 | 179.9° | 180.0° |
| O41 | C40 | C39 | C58 | 175.8° | 179.7° |
| O41 | C40 | C39 | N38 | 13.1° | 0.0° |
| C40 | C39 | C58 | N38 | 171.1° | 179.7° |
| C40 | C39 | N38 | N37 | 177.5° | 180.0° |
| C39 | C40 | O41 | H21 | 4.1° | 90.0° |
| C40 | C39 | C58 | H26 | 180.0° | 179.9° |
| C02 | C36 | N37 | N38 | 35.7° | 180.0° |
| C02 | C36 | N37 | C35 | 172.5° | 179.7° |
| C02 | C36 | C35 | C34 | 0.1° | 0.6° |
| C36 | C02 | C01 | H1 | 90.6° | 90.0° |
| C36 | C02 | C01 | H2 | 29.4° | 150.0° |
| C36 | C02 | C01 | H3 | 149.4° | 30.1° |
| C36 | C02 | C03 | H4 | 179.9° | 179.8° |
| C02 | C36 | C35 | H18 | 179.9° | 179.7° |
| C58 | C39 | N38 | N37 | 11.4° | 0.3° |
| C39 | C58 | C57 | H25 | 180.0° | 179.7° |
| C04 | C05 | C33 | C31 | 166.8° | 179.7° |
| C05 | C04 | C34 | C35 | 169.5° | 180.0° |
| C05 | C04 | C03 | H4 | 10.6° | 0.1° |
| C04 | C05 | C06 | H5 | 13.1° | 0.0° |
| C04 | C05 | C33 | H16 | 13.2° | 0.0° |
| C05 | C04 | C34 | H17 | 10.5° | 0.1° |
| C33 | C05 | C04 | C34 | 73.8° | 0.0° |
| C05 | C33 | C31 | H16 | 180.0° | 179.7° |
| C05 | C33 | C31 | C32 | 177.5° | 179.8° |
| C33 | C05 | C06 | H5 | 180.0° | 179.7° |
| C39 | N38 | N37 | C36 | 148.2° | 180.0° |
| N38 | C39 | C58 | H26 | 8.9° | 0.2° |
| C04 | C34 | C35 | C36 | 0.0° | 0.3° |
| C04 | C34 | C35 | H17 | 180.0° | 179.9° |
| C34 | C04 | C03 | H4 | 179.9° | 180.0° |
| C04 | C34 | C35 | H18 | 180.0° | 179.9° |
| O27 | S24 | O26 | H28 | 112.0° | 66.5° |
| N38 | N37 | C36 | C35 | 151.8° | 0.3° |
| C33 | C31 | C32 | H13 | 91.3° | 89.7° |
| C33 | C31 | C32 | H14 | 28.7° | 30.3° |
| C33 | C31 | C32 | H15 | 148.8° | 150.3° |
| C31 | C32 | H13 | H14 | 120.0° | 120.0° |
| C31 | C32 | H13 | H15 | 120.0° | 120.0° |
| C31 | C32 | H14 | H15 | 120.0° | 119.9° |
| C32 | C31 | C33 | H16 | 2.5° | 0.1° |
| N37 | C36 | C35 | C34 | 172.4° | 179.7° |
| N37 | C36 | C35 | H18 | 7.6° | 0.0° |
| C36 | C35 | C34 | H18 | 180.0° | 179.7° |
| C36 | C35 | C34 | H17 | 179.9° | 179.7° |
| H1 | C01 | H2 | H3 | 120.0° | 120.1° |
| H5 | C06 | C07 | H6 | 0.1° | 0.0° |
| H11 | C29 | C30 | H12 | 0.1° | 0.1° |
| H13 | C32 | H14 | H15 | 120.0° | 120.0° |
| H17 | C34 | C35 | H18 | 0.1° | 0.0° |
| H25 | C57 | C58 | H26 | 0.0° | 0.3° |
