J2B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C03 | sing | 1.55Å | 1.27Å | |
| C02 | C44 | sing | 1.54Å | 1.65Å | |
| C02 | O01 | sing | 1.43Å | 1.47Å | |
| C03 | C31 | sing | 1.55Å | 1.58Å | |
| C03 | O04 | sing | 1.43Å | 1.50Å | |
| C08 | C09 | sing | 1.53Å | 1.47Å | |
| C08 | O07 | sing | 1.43Å | 1.40Å | |
| C09 | C24 | sing | 1.53Å | 1.34Å | |
| C11 | C22 | sing | 1.53Å | 1.60Å | |
| C11 | N12 | sing | 1.46Å | 1.45Å | |
| C11 | O10 | sing | 1.43Å | 1.30Å | |
| C13 | C19 | doub | 1.40Å | 1.38Å | Aromatic |
| C13 | N12 | sing | 1.37Å | 1.34Å | Aromatic |
| C13 | N14 | sing | 1.33Å | 1.34Å | Aromatic |
| C15 | N14 | doub | 1.32Å | 1.32Å | Aromatic |
| C15 | N16 | sing | 1.32Å | 1.32Å | Aromatic |
| C17 | C19 | sing | 1.41Å | 1.41Å | Aromatic |
| C17 | N16 | doub | 1.33Å | 1.32Å | Aromatic |
| C17 | N18 | sing | 1.38Å | 1.46Å | |
| C19 | N20 | sing | 1.35Å | 1.35Å | Aromatic |
| C21 | N12 | sing | 1.36Å | 1.33Å | Aromatic |
| C21 | N20 | doub | 1.30Å | 1.32Å | Aromatic |
| C22 | C24 | sing | 1.53Å | 1.54Å | |
| C22 | O23 | sing | 1.43Å | 1.32Å | |
| C24 | O25 | sing | 1.43Å | 1.48Å | |
| C31 | N32 | sing | 1.47Å | 1.33Å | |
| C31 | O43 | sing | 1.44Å | 1.53Å | |
| C33 | C40 | doub | 1.39Å | 1.39Å | Aromatic |
| C33 | N32 | sing | 1.36Å | 1.34Å | Aromatic |
| C33 | N34 | sing | 1.37Å | 1.49Å | |
| C35 | N34 | sing | 1.36Å | 1.47Å | |
| C35 | N36 | sing | 1.37Å | 1.45Å | |
| C35 | N37 | doub | 1.31Å | 1.45Å | |
| C38 | C40 | sing | 1.47Å | 1.53Å | |
| C38 | N37 | sing | 1.34Å | 1.43Å | |
| C38 | O39 | doub | 1.22Å | 1.19Å | |
| C40 | N41 | sing | 1.35Å | 1.34Å | Aromatic |
| C42 | N32 | sing | 1.36Å | 1.32Å | Aromatic |
| C42 | N41 | doub | 1.30Å | 1.32Å | Aromatic |
| C44 | C45 | sing | 1.53Å | 1.50Å | |
| C44 | O43 | sing | 1.44Å | 1.30Å | |
| C45 | O46 | sing | 1.43Å | 1.40Å | |
| O04 | P05 | sing | 1.61Å | 1.65Å | |
| O07 | P05 | sing | 1.61Å | 1.65Å | |
| O25 | P26 | sing | 1.61Å | 1.65Å | |
| O28 | P26 | doub | 1.48Å | 1.51Å | |
| O29 | P26 | sing | 1.61Å | 1.51Å | |
| O30 | P05 | doub | 1.48Å | 1.46Å | |
| P05 | S06 | sing | 2.12Å | 2.12Å | |
| P26 | S27 | sing | 2.12Å | 2.12Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C08 | H3 | sing | 1.09Å | 1.10Å | |
| C08 | H4 | sing | 1.09Å | 1.10Å | |
| C09 | H5 | sing | 1.09Å | 1.10Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C31 | H12 | sing | 1.09Å | 1.10Å | |
| C42 | H13 | sing | 1.08Å | 1.08Å | |
| C44 | H14 | sing | 1.09Å | 1.10Å | |
| C45 | H15 | sing | 1.09Å | 1.10Å | |
| C45 | H16 | sing | 1.09Å | 1.10Å | |
| N18 | H17 | sing | 0.97Å | 1.00Å | |
| N18 | H18 | sing | 0.97Å | 1.00Å | |
| N34 | H19 | sing | 0.97Å | 1.00Å | |
| N36 | H20 | sing | 0.97Å | 1.00Å | |
| N36 | H21 | sing | 0.97Å | 1.00Å | |
| O01 | H22 | sing | 0.97Å | 0.95Å | |
| O10 | H23 | sing | 0.97Å | 0.95Å | |
| O23 | H24 | sing | 0.97Å | 0.95Å | |
| O29 | H25 | sing | 0.97Å | 0.95Å | |
| O46 | H26 | sing | 0.97Å | 0.95Å | |
| S06 | H27 | sing | 1.34Å | 1.30Å | |
| S27 | H28 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C02 | C44 | 108.0° | 104.1° |
| C03 | C02 | O01 | 110.0° | 110.5° |
| C02 | C03 | C31 | 105.6° | 104.1° |
| C02 | C03 | O04 | 110.5° | 110.5° |
| C03 | C02 | H1 | 112.4° | 110.5° |
| C02 | C03 | H2 | 112.7° | 110.5° |
| C44 | C02 | O01 | 110.0° | 110.5° |
| C02 | C44 | C45 | 110.3° | 110.4° |
| C02 | C44 | O43 | 106.9° | 104.8° |
| C44 | C02 | H1 | 107.1° | 110.5° |
| C02 | C44 | H14 | 107.6° | 110.4° |
| O01 | C02 | H1 | 109.4° | 110.6° |
| C02 | O01 | H22 | 109.5° | 114.0° |
| C31 | C03 | O04 | 110.8° | 110.5° |
| C03 | C31 | N32 | 112.8° | 110.4° |
| C03 | C31 | O43 | 103.6° | 104.8° |
| C31 | C03 | H2 | 108.2° | 110.5° |
| C03 | C31 | H12 | 108.3° | 110.3° |
| C03 | O04 | P05 | 118.3° | 123.1° |
| O04 | C03 | H2 | 109.1° | 110.5° |
| C09 | C08 | O07 | 108.9° | 109.4° |
| C08 | C09 | C24 | 109.8° | 109.5° |
| C09 | C08 | H3 | 109.6° | 109.5° |
| C09 | C08 | H4 | 109.6° | 109.5° |
| C08 | C09 | H5 | 109.4° | 109.5° |
| C08 | C09 | H6 | 109.4° | 109.5° |
| C08 | O07 | P05 | 116.4° | 123.0° |
| O07 | C08 | H3 | 109.6° | 109.4° |
| O07 | C08 | H4 | 109.6° | 109.5° |
| C09 | C24 | C22 | 102.7° | 109.5° |
| C09 | C24 | O25 | 108.4° | 109.5° |
| C24 | C09 | H5 | 109.4° | 109.4° |
| C24 | C09 | H6 | 109.4° | 109.5° |
| C09 | C24 | H11 | 112.8° | 109.5° |
| C22 | C11 | N12 | 112.9° | 109.5° |
| C22 | C11 | O10 | 102.8° | 109.5° |
| C11 | C22 | C24 | 99.9° | 109.5° |
| C11 | C22 | O23 | 111.0° | 109.5° |
| C22 | C11 | H7 | 107.8° | 109.4° |
| C11 | C22 | H10 | 108.9° | 109.4° |
| N12 | C11 | O10 | 111.3° | 109.5° |
| C11 | N12 | C13 | 124.0° | 126.3° |
| C11 | N12 | C21 | 128.0° | 126.3° |
| N12 | C11 | H7 | 109.8° | 109.4° |
| O10 | C11 | H7 | 112.1° | 109.5° |
| C11 | O10 | H23 | 109.5° | 114.0° |
| C19 | C13 | N12 | 107.6° | 106.0° |
| C19 | C13 | N14 | 119.9° | 119.1° |
| C13 | C19 | C17 | 117.7° | 118.1° |
| C13 | C19 | N20 | 106.3° | 107.2° |
| N12 | C13 | N14 | 132.5° | 134.9° |
| C13 | N12 | C21 | 108.0° | 107.4° |
| C13 | N14 | C15 | 121.1° | 120.7° |
| N14 | C15 | N16 | 120.1° | 122.4° |
| N14 | C15 | H8 | 120.0° | 118.8° |
| C15 | N16 | C17 | 122.7° | 121.2° |
| N16 | C15 | H8 | 119.9° | 118.8° |
| C19 | C17 | N16 | 118.4° | 118.5° |
| C19 | C17 | N18 | 120.7° | 120.8° |
| C17 | C19 | N20 | 136.0° | 134.7° |
| N16 | C17 | N18 | 120.9° | 120.8° |
| C17 | N18 | H17 | 109.5° | 119.9° |
| C17 | N18 | H18 | 109.5° | 120.0° |
| C19 | N20 | C21 | 108.8° | 109.4° |
| N12 | C21 | N20 | 109.3° | 110.0° |
| N12 | C21 | H9 | 125.3° | 125.0° |
| N20 | C21 | H9 | 125.4° | 125.0° |
| C24 | C22 | O23 | 113.5° | 109.5° |
| C22 | C24 | O25 | 112.4° | 109.5° |
| C24 | C22 | H10 | 109.6° | 109.4° |
| C22 | C24 | H11 | 109.7° | 109.4° |
| O23 | C22 | H10 | 113.1° | 109.5° |
| C22 | O23 | H24 | 109.5° | 114.0° |
| C24 | O25 | P26 | 120.2° | 123.0° |
| O25 | C24 | H11 | 110.6° | 109.4° |
| N32 | C31 | O43 | 110.9° | 110.4° |
| C31 | N32 | C33 | 127.5° | 126.2° |
| C31 | N32 | C42 | 124.6° | 126.3° |
| N32 | C31 | H12 | 111.9° | 110.4° |
| C31 | O43 | C44 | 103.7° | 105.3° |
| O43 | C31 | H12 | 108.9° | 110.5° |
| C40 | C33 | N32 | 106.8° | 106.4° |
| C40 | C33 | N34 | 119.6° | 118.8° |
| C33 | C40 | C38 | 120.3° | 118.1° |
| C33 | C40 | N41 | 107.2° | 107.4° |
| N32 | C33 | N34 | 133.6° | 134.8° |
| C33 | N32 | C42 | 108.0° | 107.5° |
| C33 | N34 | C35 | 120.5° | 120.6° |
| C33 | N34 | H19 | 119.8° | 119.7° |
| N34 | C35 | N36 | 120.0° | 118.7° |
| N34 | C35 | N37 | 120.0° | 122.5° |
| C35 | N34 | H19 | 119.8° | 119.7° |
| N36 | C35 | N37 | 120.1° | 118.7° |
| C35 | N36 | H20 | 120.0° | 120.0° |
| C35 | N36 | H21 | 120.0° | 120.0° |
| C35 | N37 | C38 | 119.7° | 121.4° |
| C40 | C38 | N37 | 120.0° | 118.6° |
| C40 | C38 | O39 | 120.2° | 120.7° |
| C38 | C40 | N41 | 132.5° | 134.5° |
| N37 | C38 | O39 | 119.8° | 120.7° |
| C40 | N41 | C42 | 108.0° | 109.1° |
| N32 | C42 | N41 | 110.1° | 109.6° |
| N32 | C42 | H13 | 125.0° | 125.2° |
| N41 | C42 | H13 | 125.0° | 125.2° |
| C45 | C44 | O43 | 109.9° | 110.4° |
| C44 | C45 | O46 | 108.4° | 109.5° |
| C45 | C44 | H14 | 109.4° | 110.3° |
| C44 | C45 | H15 | 109.8° | 109.5° |
| C44 | C45 | H16 | 109.7° | 109.5° |
| O43 | C44 | H14 | 112.6° | 110.4° |
| O46 | C45 | H15 | 109.7° | 109.5° |
| O46 | C45 | H16 | 109.8° | 109.4° |
| C45 | O46 | H26 | 109.5° | 114.0° |
| O04 | P05 | O07 | 110.1° | 109.5° |
| O04 | P05 | O30 | 110.0° | 109.4° |
| O04 | P05 | S06 | 109.2° | 109.5° |
| O07 | P05 | O30 | 110.1° | 109.5° |
| O07 | P05 | S06 | 107.8° | 109.5° |
| O25 | P26 | O28 | 108.3° | 109.5° |
| O25 | P26 | O29 | 109.2° | 109.5° |
| O25 | P26 | S27 | 110.9° | 109.5° |
| O28 | P26 | O29 | 109.3° | 109.5° |
| O28 | P26 | S27 | 109.6° | 109.5° |
| O29 | P26 | S27 | 109.5° | 109.5° |
| P26 | O29 | H25 | 109.5° | 114.0° |
| O30 | P05 | S06 | 109.6° | 109.5° |
| P05 | S06 | H27 | 102.0° | 103.0° |
| P26 | S27 | H28 | 102.0° | 103.0° |
| H3 | C08 | H4 | 109.5° | 109.5° |
| H5 | C09 | H6 | 109.5° | 109.4° |
| H15 | C45 | H16 | 109.5° | 109.5° |
| H17 | N18 | H18 | 109.4° | 120.0° |
| H20 | N36 | H21 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C02 | C44 | O01 | 120.0° | 118.6° |
| C03 | C02 | C44 | H1 | 121.3° | 118.6° |
| C03 | C02 | O01 | H1 | 123.9° | 122.7° |
| C02 | C03 | C31 | O04 | 119.7° | 118.7° |
| C02 | C03 | C31 | H2 | 120.8° | 118.7° |
| C02 | C03 | O04 | H2 | 124.4° | 122.7° |
| C02 | C03 | C31 | N32 | 147.6° | 142.8° |
| C02 | C03 | C31 | O43 | 27.5° | 24.0° |
| C03 | C02 | C44 | C45 | 132.1° | 142.8° |
| C03 | C02 | C44 | O43 | 12.6° | 24.0° |
| C02 | C03 | O04 | P05 | 105.0° | 121.4° |
| C02 | C03 | C31 | H12 | 88.0° | 95.0° |
| C03 | C02 | C44 | H14 | 108.6° | 94.9° |
| C03 | C02 | O01 | H22 | 180.0° | 179.9° |
| C44 | C02 | O01 | H1 | 117.3° | 122.7° |
| C44 | C02 | C03 | C31 | 10.5° | 0.0° |
| C44 | C02 | C03 | O04 | 130.3° | 118.7° |
| C02 | C44 | O43 | C31 | 29.1° | 40.5° |
| C02 | C44 | C45 | O43 | 117.6° | 115.4° |
| C02 | C44 | C45 | H14 | 118.2° | 122.3° |
| C02 | C44 | O43 | H14 | 117.9° | 118.9° |
| C02 | C44 | C45 | O46 | 37.2° | 175.0° |
| C44 | C02 | C03 | H2 | 107.4° | 118.6° |
| C02 | C44 | C45 | H15 | 157.0° | 55.0° |
| C02 | C44 | C45 | H16 | 82.6° | 65.0° |
| C44 | C02 | O01 | H22 | 61.2° | 65.5° |
| O01 | C02 | C03 | C31 | 109.5° | 118.6° |
| O01 | C02 | C03 | O04 | 10.3° | 0.1° |
| O01 | C02 | C44 | C45 | 107.9° | 98.6° |
| O01 | C02 | C44 | O43 | 132.6° | 142.6° |
| O01 | C02 | C03 | H2 | 132.6° | 122.8° |
| O01 | C02 | C44 | H14 | 11.4° | 23.7° |
| C31 | C03 | O04 | H2 | 118.9° | 122.6° |
| C03 | C31 | N32 | O43 | 115.7° | 115.4° |
| C03 | C31 | N32 | H12 | 122.5° | 122.2° |
| C03 | C31 | O43 | H12 | 115.1° | 118.8° |
| C03 | C31 | N32 | C33 | 47.8° | 85.0° |
| C03 | C31 | N32 | C42 | 132.6° | 95.1° |
| C03 | C31 | O43 | C44 | 35.5° | 40.5° |
| C31 | C03 | O04 | P05 | 138.3° | 123.9° |
| C31 | C03 | C02 | H1 | 128.4° | 118.6° |
| O04 | C03 | C31 | N32 | 92.8° | 98.5° |
| O04 | C03 | C31 | O43 | 147.2° | 142.6° |
| C03 | O04 | P05 | O07 | 56.2° | 175.0° |
| C03 | O04 | P05 | O30 | 177.7° | 55.0° |
| C03 | O04 | P05 | S06 | 62.0° | 65.0° |
| O04 | C03 | C02 | H1 | 111.8° | 122.7° |
| O04 | C03 | C31 | H12 | 31.7° | 23.7° |
| C09 | C08 | O07 | H3 | 119.9° | 120.0° |
| C09 | C08 | O07 | H4 | 119.9° | 120.0° |
| C08 | C09 | C24 | H5 | 120.1° | 120.0° |
| C08 | C09 | C24 | H6 | 120.1° | 120.1° |
| C08 | C09 | C24 | C22 | 92.9° | 175.0° |
| C08 | C09 | C24 | O25 | 147.9° | 65.0° |
| C09 | C08 | O07 | P05 | 159.9° | 180.0° |
| C09 | C08 | H3 | H4 | 120.3° | 120.1° |
| C08 | C09 | H5 | H6 | 119.9° | 120.1° |
| C08 | C09 | C24 | H11 | 25.0° | 55.0° |
| O07 | C08 | C09 | C24 | 103.4° | 179.9° |
| C08 | O07 | P05 | O04 | 137.7° | 175.0° |
| C08 | O07 | P05 | O30 | 100.8° | 55.0° |
| C08 | O07 | P05 | S06 | 18.7° | 65.1° |
| O07 | C08 | H3 | H4 | 120.3° | 120.0° |
| O07 | C08 | C09 | H5 | 16.7° | 60.0° |
| O07 | C08 | C09 | H6 | 136.6° | 60.0° |
| C09 | C24 | C22 | C11 | 43.0° | 178.4° |
| C09 | C24 | C22 | O25 | 116.3° | 120.1° |
| C09 | C24 | C22 | H11 | 120.1° | 120.0° |
| C09 | C24 | C22 | O23 | 161.2° | 61.5° |
| C09 | C24 | O25 | H11 | 124.1° | 120.0° |
| C09 | C24 | O25 | P26 | 174.0° | 112.5° |
| C24 | C09 | C08 | H3 | 16.5° | 60.0° |
| C24 | C09 | C08 | H4 | 136.7° | 60.1° |
| C24 | C09 | H5 | H6 | 119.8° | 120.0° |
| C09 | C24 | C22 | H10 | 71.3° | 58.5° |
| C22 | C11 | N12 | O10 | 115.0° | 120.0° |
| C22 | C11 | N12 | H7 | 120.3° | 119.9° |
| C22 | C11 | O10 | H7 | 115.5° | 120.0° |
| C22 | C11 | N12 | C13 | 142.3° | 85.0° |
| C22 | C11 | N12 | C21 | 37.1° | 95.1° |
| C11 | C22 | C24 | O23 | 118.2° | 120.1° |
| C11 | C22 | C24 | H10 | 114.3° | 120.0° |
| C11 | C22 | O23 | H10 | 122.8° | 120.0° |
| C11 | C22 | C24 | O25 | 73.4° | 58.3° |
| C11 | C22 | C24 | H11 | 163.1° | 61.6° |
| C22 | C11 | O10 | H23 | 180.0° | 60.0° |
| C11 | C22 | O23 | H24 | 76.3° | 60.0° |
| N12 | C11 | O10 | H7 | 123.4° | 120.0° |
| C11 | N12 | C13 | C19 | 179.4° | 180.0° |
| C11 | N12 | C13 | C21 | 179.5° | 180.0° |
| C11 | N12 | C13 | N14 | 0.2° | 0.2° |
| C11 | N12 | C21 | N20 | 179.2° | 180.0° |
| N12 | C11 | C22 | C24 | 165.7° | 174.8° |
| N12 | C11 | C22 | O23 | 74.2° | 54.8° |
| C11 | N12 | C21 | H9 | 0.8° | 0.1° |
| N12 | C11 | C22 | H10 | 50.9° | 65.2° |
| N12 | C11 | O10 | H23 | 58.9° | 60.0° |
| O10 | C11 | N12 | C13 | 102.7° | 155.0° |
| O10 | C11 | N12 | C21 | 77.9° | 25.0° |
| O10 | C11 | C22 | C24 | 45.8° | 65.2° |
| O10 | C11 | C22 | O23 | 165.8° | 174.8° |
| O10 | C11 | C22 | H10 | 69.0° | 54.8° |
| C19 | C13 | N12 | N14 | 179.6° | 179.7° |
| C19 | C13 | N14 | C15 | 0.7° | 0.0° |
| C13 | C19 | C17 | N20 | 178.6° | 180.0° |
| C13 | C19 | C17 | N16 | 0.9° | 0.5° |
| C13 | C19 | C17 | N18 | 179.6° | 180.0° |
| C19 | C13 | N12 | C21 | 1.1° | 0.0° |
| C13 | C19 | N20 | C21 | 0.4° | 0.0° |
| N12 | C13 | N14 | C15 | 179.8° | 179.7° |
| N12 | C13 | C19 | C17 | 179.5° | 180.0° |
| N12 | C13 | C19 | N20 | 0.4° | 0.0° |
| C13 | N12 | C21 | N20 | 1.4° | 0.0° |
| C13 | N12 | C11 | H7 | 21.9° | 35.0° |
| C13 | N12 | C21 | H9 | 178.6° | 180.0° |
| C13 | N14 | C15 | N16 | 0.4° | 0.1° |
| N14 | C13 | C19 | C17 | 0.9° | 0.2° |
| N14 | C13 | C19 | N20 | 179.9° | 179.8° |
| N14 | C13 | N12 | C21 | 179.3° | 179.7° |
| C13 | N14 | C15 | H8 | 179.5° | 180.0° |
| N14 | C15 | N16 | H8 | 180.0° | 179.9° |
| N14 | C15 | N16 | C17 | 0.4° | 0.3° |
| C15 | N16 | C17 | C19 | 0.6° | 0.5° |
| C15 | N16 | C17 | N18 | 179.8° | 180.0° |
| C19 | C17 | N16 | N18 | 179.5° | 179.5° |
| C17 | C19 | N20 | C21 | 178.3° | 180.0° |
| C19 | C17 | N18 | H17 | 179.5° | 0.0° |
| C19 | C17 | N18 | H18 | 59.5° | 180.0° |
| N16 | C17 | C19 | N20 | 179.5° | 179.6° |
| C17 | N16 | C15 | H8 | 179.6° | 179.8° |
| N16 | C17 | N18 | H17 | 0.0° | 179.5° |
| N16 | C17 | N18 | H18 | 120.0° | 0.5° |
| N18 | C17 | C19 | N20 | 1.0° | 0.0° |
| C17 | N18 | H17 | H18 | 120.0° | 180.0° |
| C19 | N20 | C21 | N12 | 1.1° | 0.0° |
| C19 | N20 | C21 | H9 | 178.9° | 180.0° |
| N12 | C21 | N20 | H9 | 180.0° | 179.9° |
| C21 | N12 | C11 | H7 | 157.5° | 145.0° |
| C24 | C22 | O23 | H10 | 125.7° | 120.0° |
| C22 | C24 | O25 | H11 | 123.0° | 119.9° |
| C22 | C24 | O25 | P26 | 73.1° | 127.4° |
| C22 | C24 | C09 | H5 | 147.0° | 65.0° |
| C22 | C24 | C09 | H6 | 27.1° | 54.9° |
| C24 | C22 | C11 | H7 | 72.8° | 54.9° |
| C24 | C22 | O23 | H24 | 35.2° | 60.1° |
| O23 | C22 | C24 | O25 | 44.9° | 178.4° |
| O23 | C22 | C11 | H7 | 47.3° | 65.2° |
| O23 | C22 | C24 | H11 | 78.7° | 58.5° |
| C24 | O25 | P26 | O28 | 106.1° | 56.8° |
| C24 | O25 | P26 | O29 | 12.9° | 176.8° |
| C24 | O25 | P26 | S27 | 133.6° | 63.2° |
| O25 | C24 | C09 | H5 | 27.8° | 55.0° |
| O25 | C24 | C09 | H6 | 92.0° | 175.0° |
| O25 | C24 | C22 | H10 | 172.4° | 61.6° |
| N32 | C31 | O43 | H12 | 123.6° | 122.4° |
| C31 | N32 | C33 | C40 | 179.8° | 179.9° |
| C31 | N32 | C33 | C42 | 179.6° | 179.9° |
| C31 | N32 | C33 | N34 | 0.3° | 0.2° |
| C31 | N32 | C42 | N41 | 179.8° | 179.9° |
| N32 | C31 | O43 | C44 | 156.9° | 159.3° |
| N32 | C31 | C03 | H2 | 26.7° | 24.1° |
| C31 | N32 | C42 | H13 | 0.2° | 0.2° |
| O43 | C31 | N32 | C33 | 67.9° | 159.6° |
| O43 | C31 | N32 | C42 | 111.7° | 20.3° |
| C31 | O43 | C44 | C45 | 148.9° | 159.4° |
| O43 | C31 | C03 | H2 | 93.3° | 94.7° |
| C31 | O43 | C44 | H14 | 88.8° | 78.4° |
| C40 | C33 | N32 | N34 | 180.0° | 179.7° |
| C40 | C33 | N34 | C35 | 0.1° | 0.0° |
| C33 | C40 | C38 | N41 | 180.0° | 179.9° |
| C33 | C40 | C38 | N37 | 0.1° | 0.5° |
| C33 | C40 | C38 | O39 | 179.9° | 179.9° |
| C40 | C33 | N32 | C42 | 0.1° | 0.0° |
| C33 | C40 | N41 | C42 | 0.0° | 0.0° |
| C40 | C33 | N34 | H19 | 179.9° | 179.9° |
| N32 | C33 | N34 | C35 | 179.8° | 179.7° |
| N32 | C33 | C40 | C38 | 179.9° | 180.0° |
| N32 | C33 | C40 | N41 | 0.1° | 0.0° |
| C33 | N32 | C42 | N41 | 0.1° | 0.1° |
| C33 | N32 | C31 | H12 | 170.3° | 37.2° |
| C33 | N32 | C42 | H13 | 179.9° | 180.0° |
| N32 | C33 | N34 | H19 | 0.2° | 0.4° |
| C33 | N34 | C35 | H19 | 180.0° | 179.9° |
| C33 | N34 | C35 | N36 | 179.9° | 180.0° |
| C33 | N34 | C35 | N37 | 0.1° | 0.0° |
| N34 | C33 | C40 | C38 | 0.0° | 0.3° |
| N34 | C33 | C40 | N41 | 179.9° | 179.8° |
| N34 | C33 | N32 | C42 | 179.9° | 179.7° |
| N34 | C35 | N36 | N37 | 179.9° | 179.9° |
| N34 | C35 | N37 | C38 | 0.0° | 0.2° |
| N34 | C35 | N36 | H20 | 179.9° | 0.0° |
| N34 | C35 | N36 | H21 | 0.1° | 180.0° |
| N36 | C35 | N37 | C38 | 180.0° | 179.7° |
| N36 | C35 | N34 | H19 | 0.1° | 0.0° |
| C35 | N36 | H20 | H21 | 180.0° | 180.0° |
| C35 | N37 | C38 | C40 | 0.1° | 0.5° |
| C35 | N37 | C38 | O39 | 179.9° | 180.0° |
| N37 | C35 | N34 | H19 | 179.9° | 179.9° |
| N37 | C35 | N36 | H20 | 0.0° | 180.0° |
| N37 | C35 | N36 | H21 | 180.0° | 0.1° |
| C40 | C38 | N37 | O39 | 179.9° | 179.5° |
| C38 | C40 | N41 | C42 | 180.0° | 180.0° |
| N37 | C38 | C40 | N41 | 180.0° | 179.6° |
| O39 | C38 | C40 | N41 | 0.1° | 0.0° |
| C40 | N41 | C42 | N32 | 0.1° | 0.1° |
| C40 | N41 | C42 | H13 | 179.9° | 180.0° |
| N32 | C42 | N41 | H13 | 180.0° | 179.9° |
| C42 | N32 | C31 | H12 | 10.2° | 142.7° |
| C45 | C44 | O43 | H14 | 122.3° | 122.3° |
| C44 | C45 | O46 | H15 | 119.8° | 120.0° |
| C44 | C45 | O46 | H16 | 119.8° | 120.0° |
| C45 | C44 | C02 | H1 | 10.8° | 24.2° |
| C44 | C45 | H15 | H16 | 120.5° | 120.0° |
| C44 | C45 | O46 | H26 | 180.0° | 180.0° |
| O43 | C44 | C45 | O46 | 80.4° | 69.6° |
| O43 | C44 | C02 | H1 | 108.7° | 94.6° |
| C44 | O43 | C31 | H12 | 79.6° | 78.3° |
| O43 | C44 | C45 | H15 | 39.4° | 170.4° |
| O43 | C44 | C45 | H16 | 159.8° | 50.4° |
| O46 | C45 | C44 | H14 | 155.4° | 52.7° |
| O46 | C45 | H15 | H16 | 120.5° | 120.0° |
| O04 | P05 | O07 | O30 | 121.4° | 120.0° |
| O04 | P05 | O07 | S06 | 119.0° | 120.0° |
| O04 | P05 | O30 | S06 | 120.0° | 120.0° |
| P05 | O04 | C03 | H2 | 19.3° | 1.3° |
| O04 | P05 | S06 | H27 | 120.5° | 60.0° |
| O07 | P05 | O30 | S06 | 118.5° | 120.0° |
| P05 | O07 | C08 | H3 | 40.0° | 60.0° |
| P05 | O07 | C08 | H4 | 80.1° | 60.0° |
| O07 | P05 | S06 | H27 | 119.9° | 60.0° |
| O25 | P26 | O28 | O29 | 118.9° | 120.0° |
| O25 | P26 | O28 | S27 | 121.1° | 120.0° |
| O25 | P26 | O29 | S27 | 121.6° | 120.0° |
| P26 | O25 | C24 | H11 | 49.9° | 7.5° |
| O25 | P26 | O29 | H25 | 118.3° | 180.0° |
| O25 | P26 | S27 | H28 | 119.5° | 66.6° |
| O28 | P26 | O29 | S27 | 120.1° | 120.0° |
| O28 | P26 | O29 | H25 | 0.0° | 60.0° |
| O28 | P26 | S27 | H28 | 0.0° | 173.4° |
| O29 | P26 | S27 | H28 | 119.9° | 53.4° |
| O30 | P05 | S06 | H27 | 0.0° | 180.0° |
| S27 | P26 | O29 | H25 | 120.1° | 60.0° |
| H1 | C02 | C03 | H2 | 10.5° | 0.0° |
| H1 | C02 | C44 | H14 | 130.2° | 146.5° |
| H1 | C02 | O01 | H22 | 56.1° | 57.2° |
| H2 | C03 | C31 | H12 | 151.2° | 146.4° |
| H3 | C08 | C09 | H5 | 136.6° | 59.9° |
| H3 | C08 | C09 | H6 | 103.5° | 179.9° |
| H4 | C08 | C09 | H5 | 103.2° | 180.0° |
| H4 | C08 | C09 | H6 | 16.7° | 60.0° |
| H5 | C09 | C24 | H11 | 95.0° | 175.0° |
| H6 | C09 | C24 | H11 | 145.1° | 65.1° |
| H7 | C11 | C22 | H10 | 172.4° | 174.9° |
| H7 | C11 | O10 | H23 | 64.4° | 180.0° |
| H10 | C22 | C24 | H11 | 48.8° | 178.4° |
| H10 | C22 | O23 | H24 | 160.9° | 180.0° |
| H14 | C44 | C45 | H15 | 84.8° | 67.3° |
| H14 | C44 | C45 | H16 | 35.6° | 172.7° |
| H15 | C45 | O46 | H26 | 60.2° | 60.0° |
| H16 | C45 | O46 | H26 | 60.1° | 60.0° |
