W78
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S42 | P39 | sing | 2.12Å | 1.90Å | |
| P39 | O40 | doub | 1.48Å | 1.46Å | |
| P39 | O38 | sing | 1.61Å | 1.64Å | |
| P39 | O6 | sing | 1.61Å | 1.65Å | |
| N29 | C28 | doub | 1.30Å | 1.31Å | Aromatic |
| N29 | C31 | sing | 1.35Å | 1.39Å | Aromatic |
| C28 | N27 | sing | 1.36Å | 1.37Å | Aromatic |
| O38 | C37 | sing | 1.43Å | 1.45Å | |
| C37 | C21 | sing | 1.53Å | 1.51Å | |
| O25 | C21 | sing | 1.43Å | 1.45Å | |
| O25 | C24 | sing | 1.43Å | 1.42Å | |
| O6 | C3 | sing | 1.43Å | 1.44Å | |
| N27 | C24 | sing | 1.47Å | 1.46Å | |
| N27 | C30 | sing | 1.37Å | 1.37Å | Aromatic |
| N36 | C32 | sing | 1.38Å | 1.33Å | |
| C31 | C32 | doub | 1.40Å | 1.41Å | Aromatic |
| C31 | C30 | sing | 1.41Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.54Å | 1.52Å | |
| C24 | C23 | sing | 1.54Å | 1.52Å | |
| C32 | N33 | sing | 1.33Å | 1.35Å | Aromatic |
| C30 | N35 | doub | 1.33Å | 1.34Å | Aromatic |
| N15 | N14 | sing | 1.40Å | 1.36Å | |
| N15 | C16 | doub | 1.30Å | 1.30Å | |
| N14 | C13 | sing | 1.35Å | 1.36Å | |
| C16 | C11 | sing | 1.41Å | 1.43Å | |
| N33 | C34 | doub | 1.32Å | 1.34Å | Aromatic |
| C3 | C2 | sing | 1.55Å | 1.52Å | |
| C3 | C4 | sing | 1.54Å | 1.52Å | |
| O7 | C2 | sing | 1.43Å | 1.42Å | |
| N35 | C34 | sing | 1.32Å | 1.33Å | Aromatic |
| C22 | C23 | sing | 1.54Å | 1.52Å | |
| C22 | O26 | sing | 1.43Å | 1.44Å | |
| C13 | O17 | doub | 1.22Å | 1.23Å | |
| C13 | C12 | sing | 1.46Å | 1.44Å | |
| C23 | F44 | sing | 1.40Å | 1.40Å | |
| C11 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | N8 | sing | 1.37Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.54Å | 1.53Å | |
| C12 | N10 | sing | 1.35Å | 1.39Å | Aromatic |
| C4 | N8 | sing | 1.46Å | 1.47Å | |
| C4 | O5 | sing | 1.43Å | 1.42Å | |
| N8 | C9 | sing | 1.36Å | 1.37Å | Aromatic |
| O26 | P20 | sing | 1.61Å | 1.66Å | |
| N10 | C9 | doub | 1.30Å | 1.32Å | Aromatic |
| C1 | O5 | sing | 1.42Å | 1.45Å | |
| C1 | C18 | sing | 1.53Å | 1.51Å | |
| P20 | O41 | doub | 1.48Å | 1.48Å | |
| P20 | O19 | sing | 1.61Å | 1.63Å | |
| P20 | S43 | sing | 2.12Å | 1.91Å | |
| O19 | C18 | sing | 1.43Å | 1.44Å | |
| C4 | H48 | sing | 1.09Å | 1.10Å | |
| C21 | H55 | sing | 1.09Å | 1.10Å | |
| C22 | H56 | sing | 1.09Å | 1.10Å | |
| C24 | H58 | sing | 1.09Å | 1.10Å | |
| C28 | H59 | sing | 1.08Å | 1.08Å | |
| C1 | H45 | sing | 1.09Å | 1.10Å | |
| C16 | H52 | sing | 1.08Å | 1.08Å | |
| C18 | H53 | sing | 1.09Å | 1.10Å | |
| C18 | H54 | sing | 1.09Å | 1.10Å | |
| C2 | H46 | sing | 1.09Å | 1.10Å | |
| C23 | H57 | sing | 1.09Å | 1.10Å | |
| C3 | H47 | sing | 1.09Å | 1.10Å | |
| C34 | H60 | sing | 1.08Å | 1.08Å | |
| C37 | H64 | sing | 1.09Å | 1.10Å | |
| C37 | H63 | sing | 1.09Å | 1.10Å | |
| C9 | H50 | sing | 1.08Å | 1.08Å | |
| N14 | H51 | sing | 0.97Å | 1.00Å | |
| N36 | H61 | sing | 0.97Å | 1.00Å | |
| N36 | H62 | sing | 0.97Å | 1.00Å | |
| O7 | H49 | sing | 0.97Å | 0.95Å | |
| S42 | H1 | sing | 1.35Å | 1.30Å | |
| S43 | H2 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S42 | P39 | O40 | 120.3° | 109.6° |
| S42 | P39 | O38 | 106.6° | 109.7° |
| S42 | P39 | O6 | 104.1° | 109.6° |
| P39 | S42 | H1 | 102.0° | 103.0° |
| O40 | P39 | O38 | 112.1° | 109.5° |
| O40 | P39 | O6 | 106.4° | 109.6° |
| O38 | P39 | O6 | 106.2° | 108.9° |
| P39 | O38 | C37 | 125.5° | 123.7° |
| P39 | O6 | C3 | 120.4° | 122.5° |
| C28 | N29 | C31 | 103.6° | 109.5° |
| N29 | C28 | N27 | 114.0° | 110.0° |
| N29 | C28 | H59 | 123.0° | 125.0° |
| N29 | C31 | C32 | 132.5° | 134.7° |
| N29 | C31 | C30 | 110.7° | 107.1° |
| C28 | N27 | C24 | 127.9° | 126.3° |
| C28 | N27 | C30 | 105.7° | 107.5° |
| N27 | C28 | H59 | 123.0° | 125.0° |
| O38 | C37 | C21 | 109.5° | 109.5° |
| O38 | C37 | H64 | 109.5° | 109.4° |
| O38 | C37 | H63 | 109.5° | 109.5° |
| C37 | C21 | O25 | 110.2° | 109.3° |
| C37 | C21 | C22 | 115.2° | 109.8° |
| C37 | C21 | H55 | 108.9° | 109.7° |
| C21 | C37 | H64 | 109.5° | 109.5° |
| C21 | C37 | H63 | 109.5° | 109.5° |
| C21 | O25 | C24 | 110.5° | 111.7° |
| O25 | C21 | C22 | 103.9° | 108.0° |
| O25 | C21 | H55 | 109.7° | 110.1° |
| O25 | C24 | N27 | 108.4° | 109.7° |
| O25 | C24 | C23 | 105.8° | 107.7° |
| O25 | C24 | H58 | 110.8° | 109.8° |
| O6 | C3 | C2 | 111.7° | 110.4° |
| O6 | C3 | C4 | 111.4° | 110.2° |
| O6 | C3 | H47 | 111.3° | 111.4° |
| C24 | N27 | C30 | 126.0° | 126.2° |
| N27 | C24 | C23 | 112.0° | 109.8° |
| N27 | C24 | H58 | 110.3° | 109.9° |
| N27 | C30 | C31 | 105.8° | 106.0° |
| N27 | C30 | N35 | 127.3° | 135.0° |
| N36 | C32 | C31 | 124.0° | 120.8° |
| N36 | C32 | N33 | 118.3° | 120.8° |
| C32 | N36 | H61 | 109.5° | 120.0° |
| C32 | N36 | H62 | 109.5° | 120.0° |
| C32 | C31 | C30 | 116.8° | 118.2° |
| C31 | C32 | N33 | 117.7° | 118.4° |
| C31 | C30 | N35 | 126.8° | 119.0° |
| C21 | C22 | C23 | 101.7° | 105.0° |
| C21 | C22 | O26 | 115.0° | 110.8° |
| C22 | C21 | H55 | 108.7° | 110.0° |
| C21 | C22 | H56 | 110.3° | 110.2° |
| C24 | C23 | C22 | 101.3° | 104.3° |
| C24 | C23 | F44 | 110.1° | 110.5° |
| C23 | C24 | H58 | 109.4° | 109.9° |
| C24 | C23 | H57 | 109.7° | 110.4° |
| C32 | N33 | C34 | 118.8° | 121.2° |
| C30 | N35 | C34 | 111.1° | 120.7° |
| N14 | N15 | C16 | 116.8° | 122.1° |
| N15 | N14 | C13 | 128.1° | 120.8° |
| N15 | N14 | H51 | 115.9° | 119.6° |
| N15 | C16 | C11 | 122.9° | 121.0° |
| N15 | C16 | H52 | 118.5° | 119.5° |
| N14 | C13 | O17 | 120.6° | 120.8° |
| N14 | C13 | C12 | 114.3° | 118.4° |
| C13 | N14 | H51 | 116.0° | 119.6° |
| C16 | C11 | C12 | 118.7° | 119.3° |
| C16 | C11 | N8 | 135.8° | 134.6° |
| C11 | C16 | H52 | 118.6° | 119.5° |
| N33 | C34 | N35 | 128.8° | 122.5° |
| N33 | C34 | H60 | 115.6° | 118.8° |
| C2 | C3 | C4 | 102.0° | 104.5° |
| C3 | C2 | O7 | 110.5° | 110.5° |
| C3 | C2 | C1 | 101.4° | 104.6° |
| C3 | C2 | H46 | 110.8° | 110.4° |
| C2 | C3 | H47 | 110.1° | 109.9° |
| C3 | C4 | N8 | 113.3° | 109.9° |
| C3 | C4 | O5 | 105.8° | 107.1° |
| C3 | C4 | H48 | 108.9° | 110.0° |
| C4 | C3 | H47 | 110.0° | 110.1° |
| O7 | C2 | C1 | 110.6° | 110.4° |
| O7 | C2 | H46 | 112.3° | 110.4° |
| C2 | O7 | H49 | 109.5° | 114.0° |
| N35 | C34 | H60 | 115.6° | 118.7° |
| C23 | C22 | O26 | 107.5° | 110.1° |
| C22 | C23 | F44 | 113.9° | 110.5° |
| C23 | C22 | H56 | 110.3° | 110.1° |
| C22 | C23 | H57 | 109.7° | 110.5° |
| C22 | O26 | P20 | 119.6° | 123.6° |
| O26 | C22 | H56 | 111.5° | 110.5° |
| O17 | C13 | C12 | 125.2° | 120.8° |
| C13 | C12 | C11 | 119.3° | 118.3° |
| C13 | C12 | N10 | 130.5° | 134.4° |
| F44 | C23 | H57 | 111.6° | 110.5° |
| C12 | C11 | N8 | 105.5° | 106.1° |
| C11 | C12 | N10 | 110.3° | 107.3° |
| C11 | N8 | C4 | 125.8° | 126.3° |
| C11 | N8 | C9 | 106.2° | 107.3° |
| C2 | C1 | O5 | 106.9° | 108.0° |
| C2 | C1 | C18 | 116.6° | 109.1° |
| C2 | C1 | H45 | 107.0° | 109.9° |
| C1 | C2 | H46 | 110.7° | 110.4° |
| C12 | N10 | C9 | 104.6° | 109.5° |
| N8 | C4 | O5 | 108.7° | 109.9° |
| C4 | N8 | C9 | 127.9° | 126.4° |
| N8 | C4 | H48 | 109.6° | 109.9° |
| C4 | O5 | C1 | 109.3° | 112.2° |
| O5 | C4 | H48 | 110.4° | 109.9° |
| N8 | C9 | N10 | 113.4° | 109.8° |
| N8 | C9 | H50 | 123.3° | 125.1° |
| O26 | P20 | O41 | 111.5° | 109.4° |
| O26 | P20 | O19 | 99.6° | 109.8° |
| O26 | P20 | S43 | 102.1° | 109.4° |
| N10 | C9 | H50 | 123.3° | 125.1° |
| O5 | C1 | C18 | 110.9° | 110.1° |
| O5 | C1 | H45 | 107.9° | 110.2° |
| C1 | C18 | O19 | 111.5° | 108.7° |
| C18 | C1 | H45 | 107.2° | 109.6° |
| C1 | C18 | H53 | 109.0° | 109.6° |
| C1 | C18 | H54 | 108.9° | 109.6° |
| O41 | P20 | O19 | 109.4° | 109.4° |
| O41 | P20 | S43 | 124.1° | 109.3° |
| O19 | P20 | S43 | 107.2° | 109.4° |
| P20 | O19 | C18 | 117.5° | 123.1° |
| P20 | S43 | H2 | 102.0° | 103.0° |
| O19 | C18 | H53 | 108.9° | 109.7° |
| O19 | C18 | H54 | 109.0° | 109.8° |
| H53 | C18 | H54 | 109.5° | 109.6° |
| H64 | C37 | H63 | 109.4° | 109.5° |
| H61 | N36 | H62 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S42 | P39 | O40 | O38 | 126.6° | 120.3° |
| S42 | P39 | O40 | O6 | 117.7° | 120.3° |
| S42 | P39 | O38 | O6 | 110.5° | 119.9° |
| S42 | P39 | O38 | C37 | 44.1° | 50.5° |
| S42 | P39 | O6 | C3 | 146.6° | 116.4° |
| O40 | P39 | O38 | O6 | 115.8° | 119.8° |
| O40 | P39 | O38 | C37 | 177.8° | 69.8° |
| O40 | P39 | O6 | C3 | 85.4° | 123.3° |
| O40 | P39 | S42 | H1 | 0.0° | 60.0° |
| P39 | O38 | C37 | C21 | 165.8° | 133.2° |
| O38 | P39 | O6 | C3 | 34.2° | 3.5° |
| P39 | O38 | C37 | H64 | 45.7° | 106.8° |
| P39 | O38 | C37 | H63 | 74.2° | 13.2° |
| O38 | P39 | S42 | H1 | 129.1° | 60.2° |
| O6 | P39 | O38 | C37 | 66.4° | 170.4° |
| P39 | O6 | C3 | C2 | 129.5° | 75.0° |
| P39 | O6 | C3 | C4 | 117.2° | 170.0° |
| P39 | O6 | C3 | H47 | 6.0° | 47.4° |
| O6 | P39 | S42 | H1 | 118.9° | 179.7° |
| N29 | C28 | N27 | H59 | 180.0° | 179.8° |
| N29 | C28 | N27 | C24 | 176.8° | 179.8° |
| N29 | C28 | N27 | C30 | 4.0° | 0.2° |
| C28 | N29 | C31 | C32 | 179.2° | 179.8° |
| C28 | N29 | C31 | C30 | 0.2° | 0.2° |
| C31 | N29 | C28 | N27 | 2.6° | 0.0° |
| N29 | C31 | C30 | N27 | 2.2° | 0.3° |
| N29 | C31 | C32 | N36 | 1.0° | 0.0° |
| N29 | C31 | C32 | C30 | 179.0° | 180.0° |
| N29 | C31 | C32 | N33 | 179.3° | 179.9° |
| N29 | C31 | C30 | N35 | 179.1° | 180.0° |
| C31 | N29 | C28 | H59 | 177.4° | 179.8° |
| C28 | N27 | C24 | O25 | 13.6° | 20.8° |
| C28 | N27 | C24 | C30 | 171.4° | 180.0° |
| C28 | N27 | C30 | C31 | 3.5° | 0.3° |
| C28 | N27 | C24 | C23 | 102.8° | 97.4° |
| C28 | N27 | C30 | N35 | 179.5° | 179.9° |
| C28 | N27 | C24 | H58 | 135.1° | 141.6° |
| O38 | C37 | C21 | H64 | 120.0° | 120.0° |
| O38 | C37 | C21 | H63 | 120.0° | 120.0° |
| O38 | C37 | C21 | O25 | 71.0° | 173.9° |
| O38 | C37 | C21 | C22 | 46.2° | 55.6° |
| O38 | C37 | C21 | H55 | 168.6° | 65.4° |
| O38 | C37 | H64 | H63 | 120.0° | 120.0° |
| C37 | C21 | O25 | C22 | 124.0° | 119.4° |
| C37 | C21 | O25 | H55 | 119.9° | 120.5° |
| C37 | C21 | O25 | C24 | 140.1° | 118.9° |
| C37 | C21 | C22 | H55 | 122.5° | 120.8° |
| C37 | C21 | C22 | C23 | 155.8° | 129.8° |
| C37 | C21 | C22 | O26 | 88.3° | 111.4° |
| C37 | C21 | C22 | H56 | 38.8° | 11.2° |
| C21 | C37 | H64 | H63 | 120.0° | 120.0° |
| C21 | O25 | C24 | N27 | 110.5° | 107.9° |
| O25 | C21 | C22 | H55 | 116.8° | 120.1° |
| C21 | O25 | C24 | C23 | 9.8° | 11.6° |
| O25 | C21 | C22 | C23 | 35.1° | 10.7° |
| O25 | C21 | C22 | O26 | 151.0° | 129.6° |
| O25 | C21 | C22 | H56 | 81.9° | 107.9° |
| C21 | O25 | C24 | H58 | 128.3° | 131.2° |
| O25 | C21 | C37 | H64 | 169.0° | 53.9° |
| O25 | C21 | C37 | H63 | 49.0° | 66.1° |
| O25 | C24 | N27 | C23 | 116.4° | 118.3° |
| O25 | C24 | N27 | H58 | 121.5° | 120.8° |
| O25 | C24 | N27 | C30 | 175.0° | 159.1° |
| C24 | O25 | C21 | C22 | 16.1° | 0.5° |
| O25 | C24 | C23 | H58 | 119.4° | 119.6° |
| O25 | C24 | C23 | C22 | 31.4° | 17.7° |
| O25 | C24 | C23 | F44 | 89.5° | 101.1° |
| C24 | O25 | C21 | H55 | 100.0° | 120.6° |
| O25 | C24 | C23 | H57 | 147.4° | 136.4° |
| O6 | C3 | C2 | C4 | 119.1° | 118.5° |
| O6 | C3 | C2 | H47 | 124.1° | 123.3° |
| O6 | C3 | C4 | H47 | 123.9° | 123.3° |
| O6 | C3 | C2 | O7 | 38.4° | 18.0° |
| O6 | C3 | C2 | C1 | 155.6° | 136.8° |
| O6 | C3 | C4 | N8 | 86.8° | 103.1° |
| O6 | C3 | C4 | O5 | 154.1° | 137.5° |
| O6 | C3 | C4 | H48 | 35.5° | 18.1° |
| O6 | C3 | C2 | H46 | 86.8° | 104.5° |
| C24 | N27 | C30 | C31 | 176.5° | 179.7° |
| N27 | C24 | C23 | H58 | 122.6° | 120.9° |
| C24 | N27 | C30 | N35 | 6.5° | 0.1° |
| N27 | C24 | C23 | C22 | 86.5° | 101.8° |
| N27 | C24 | C23 | F44 | 152.6° | 139.4° |
| C24 | N27 | C28 | H59 | 3.2° | 0.0° |
| N27 | C24 | C23 | H57 | 29.4° | 16.9° |
| N27 | C30 | C31 | C32 | 177.0° | 179.7° |
| N27 | C30 | C31 | N35 | 177.0° | 179.6° |
| C30 | N27 | C24 | C23 | 68.6° | 82.6° |
| N27 | C30 | N35 | C34 | 176.8° | 179.6° |
| C30 | N27 | C24 | H58 | 53.5° | 38.3° |
| C30 | N27 | C28 | H59 | 176.0° | 180.0° |
| N36 | C32 | C31 | N33 | 179.7° | 180.0° |
| N36 | C32 | C31 | C30 | 180.0° | 180.0° |
| N36 | C32 | N33 | C34 | 180.0° | 180.0° |
| C32 | N36 | H61 | H62 | 120.0° | 179.9° |
| C32 | C31 | C30 | N35 | 0.1° | 0.0° |
| C31 | C32 | N33 | C34 | 0.3° | 0.1° |
| C31 | C32 | N36 | H61 | 179.7° | 0.0° |
| C31 | C32 | N36 | H62 | 60.3° | 180.0° |
| C30 | C31 | C32 | N33 | 0.3° | 0.0° |
| C31 | C30 | N35 | C34 | 0.5° | 0.1° |
| C21 | C22 | C23 | C24 | 40.2° | 16.9° |
| C21 | C22 | C23 | O26 | 121.2° | 119.3° |
| C21 | C22 | C23 | H56 | 117.0° | 118.7° |
| C21 | C22 | O26 | H56 | 126.5° | 122.4° |
| C21 | C22 | C23 | F44 | 78.0° | 101.9° |
| C21 | C22 | O26 | P20 | 179.4° | 139.9° |
| C21 | C22 | C23 | H57 | 156.1° | 135.5° |
| C22 | C21 | C37 | H64 | 73.8° | 64.3° |
| C22 | C21 | C37 | H63 | 166.2° | 175.7° |
| C24 | C23 | C22 | F44 | 118.2° | 118.7° |
| C24 | C23 | C22 | H57 | 115.9° | 118.7° |
| C24 | C23 | C22 | O26 | 161.4° | 136.2° |
| C24 | C23 | F44 | H57 | 122.1° | 122.5° |
| C24 | C23 | C22 | H56 | 76.8° | 101.8° |
| C32 | N33 | C34 | N35 | 0.2° | 0.0° |
| C32 | N33 | C34 | H60 | 179.8° | 180.0° |
| N33 | C32 | N36 | H61 | 0.0° | 180.0° |
| N33 | C32 | N36 | H62 | 120.0° | 0.0° |
| C30 | N35 | C34 | N33 | 0.5° | 0.0° |
| C30 | N35 | C34 | H60 | 179.5° | 179.9° |
| N15 | N14 | C13 | H51 | 180.0° | 180.0° |
| N14 | N15 | C16 | C11 | 0.7° | 0.3° |
| N15 | N14 | C13 | O17 | 179.4° | 180.0° |
| N15 | N14 | C13 | C12 | 1.0° | 0.3° |
| N14 | N15 | C16 | H52 | 179.3° | 180.0° |
| C16 | N15 | N14 | C13 | 1.3° | 0.0° |
| N15 | C16 | C11 | H52 | 180.0° | 179.7° |
| N15 | C16 | C11 | C12 | 0.1° | 0.3° |
| N15 | C16 | C11 | N8 | 178.7° | 179.7° |
| C16 | N15 | N14 | H51 | 178.7° | 180.0° |
| N14 | C13 | O17 | C12 | 179.6° | 179.7° |
| N14 | C13 | C12 | C11 | 0.1° | 0.3° |
| N14 | C13 | C12 | N10 | 179.9° | 179.8° |
| C16 | C11 | C12 | C13 | 0.4° | 0.0° |
| C16 | C11 | C12 | N8 | 179.1° | 180.0° |
| C16 | C11 | C12 | N10 | 179.5° | 180.0° |
| C16 | C11 | N8 | C4 | 3.1° | 0.0° |
| C16 | C11 | N8 | C9 | 179.1° | 179.9° |
| N33 | C34 | N35 | H60 | 180.0° | 180.0° |
| C2 | C3 | C4 | H47 | 116.8° | 118.0° |
| C3 | C2 | O7 | C1 | 111.5° | 115.2° |
| C3 | C2 | O7 | H46 | 124.3° | 122.4° |
| C3 | C2 | C1 | H46 | 117.7° | 118.8° |
| C2 | C3 | C4 | N8 | 153.9° | 138.2° |
| C2 | C3 | C4 | O5 | 34.8° | 18.9° |
| C3 | C2 | C1 | O5 | 26.9° | 11.8° |
| C3 | C2 | C1 | C18 | 97.7° | 107.9° |
| C2 | C3 | C4 | H48 | 83.8° | 100.6° |
| C3 | C2 | C1 | H45 | 142.4° | 132.0° |
| C3 | C2 | O7 | H49 | 180.0° | 176.7° |
| C4 | C3 | C2 | O7 | 80.7° | 100.6° |
| C3 | C4 | N8 | C11 | 110.4° | 86.0° |
| C4 | C3 | C2 | C1 | 36.6° | 18.2° |
| C3 | C4 | N8 | O5 | 117.4° | 117.6° |
| C3 | C4 | N8 | H48 | 121.8° | 121.2° |
| C3 | C4 | O5 | H48 | 117.7° | 119.5° |
| C3 | C4 | N8 | C9 | 64.6° | 94.0° |
| C3 | C4 | O5 | C1 | 18.4° | 12.2° |
| C4 | C3 | C2 | H46 | 154.2° | 137.0° |
| O7 | C2 | C1 | H46 | 125.1° | 122.4° |
| O7 | C2 | C1 | O5 | 90.3° | 107.1° |
| O7 | C2 | C1 | C18 | 145.0° | 133.3° |
| O7 | C2 | C1 | H45 | 25.1° | 13.1° |
| O7 | C2 | C3 | H47 | 162.5° | 141.3° |
| C23 | C22 | O26 | H56 | 121.0° | 121.8° |
| C22 | C23 | F44 | H57 | 125.0° | 122.6° |
| C23 | C22 | O26 | P20 | 66.9° | 104.4° |
| C23 | C22 | C21 | H55 | 81.7° | 109.4° |
| C22 | C23 | C24 | H58 | 150.9° | 137.2° |
| O26 | C22 | C23 | F44 | 43.2° | 17.4° |
| C22 | O26 | P20 | O41 | 13.4° | 37.0° |
| C22 | O26 | P20 | O19 | 102.0° | 157.2° |
| C22 | O26 | P20 | S43 | 147.9° | 82.7° |
| O26 | C22 | C21 | H55 | 34.2° | 9.4° |
| O26 | C22 | C23 | H57 | 82.7° | 105.1° |
| O17 | C13 | C12 | C11 | 179.7° | 180.0° |
| O17 | C13 | C12 | N10 | 0.5° | 0.0° |
| O17 | C13 | N14 | H51 | 0.6° | 0.0° |
| C13 | C12 | C11 | N10 | 179.9° | 180.0° |
| C13 | C12 | C11 | N8 | 178.8° | 180.0° |
| C13 | C12 | N10 | C9 | 180.0° | 179.9° |
| C12 | C13 | N14 | H51 | 179.0° | 179.7° |
| F44 | C23 | C22 | H56 | 165.0° | 139.5° |
| F44 | C23 | C24 | H58 | 30.0° | 18.5° |
| C12 | C11 | N8 | C4 | 177.9° | 180.0° |
| C12 | C11 | N8 | C9 | 2.0° | 0.0° |
| C11 | C12 | N10 | C9 | 0.2° | 0.0° |
| C12 | C11 | C16 | H52 | 179.9° | 180.0° |
| N8 | C11 | C12 | N10 | 1.4° | 0.0° |
| C11 | N8 | C4 | C9 | 175.1° | 180.0° |
| C11 | N8 | C4 | O5 | 132.2° | 156.5° |
| C11 | N8 | C9 | N10 | 2.1° | 0.0° |
| C11 | N8 | C4 | H48 | 11.4° | 35.3° |
| N8 | C11 | C16 | H52 | 1.3° | 0.0° |
| C11 | N8 | C9 | H50 | 177.9° | 180.0° |
| C2 | C1 | O5 | C4 | 5.7° | 0.1° |
| C2 | C1 | O5 | C18 | 128.1° | 119.0° |
| C2 | C1 | O5 | H45 | 114.8° | 120.0° |
| C2 | C1 | C18 | H45 | 119.8° | 120.4° |
| C2 | C1 | C18 | O19 | 83.0° | 26.7° |
| C2 | C1 | C18 | H53 | 156.7° | 93.1° |
| C2 | C1 | C18 | H54 | 37.3° | 146.6° |
| C1 | C2 | C3 | H47 | 80.2° | 99.9° |
| C1 | C2 | O7 | H49 | 68.5° | 61.5° |
| C12 | N10 | C9 | N8 | 1.2° | 0.1° |
| C12 | N10 | C9 | H50 | 178.8° | 180.0° |
| N8 | C4 | O5 | H48 | 120.3° | 121.1° |
| C4 | N8 | C9 | N10 | 177.9° | 180.0° |
| N8 | C4 | O5 | C1 | 140.4° | 131.5° |
| N8 | C4 | C3 | H47 | 37.1° | 20.2° |
| C4 | N8 | C9 | H50 | 2.1° | 0.0° |
| O5 | C4 | N8 | C9 | 52.8° | 23.6° |
| C4 | O5 | C1 | C18 | 122.4° | 119.1° |
| C4 | O5 | C1 | H45 | 120.5° | 119.9° |
| O5 | C4 | C3 | H47 | 82.0° | 99.2° |
| N8 | C9 | N10 | H50 | 180.0° | 180.0° |
| C9 | N8 | C4 | H48 | 173.5° | 144.7° |
| O26 | P20 | O41 | O19 | 109.2° | 120.3° |
| O26 | P20 | O41 | S43 | 122.6° | 119.8° |
| O26 | P20 | O19 | S43 | 106.0° | 120.1° |
| O26 | P20 | O19 | C18 | 66.8° | 143.7° |
| P20 | O26 | C22 | H56 | 54.1° | 17.5° |
| O26 | P20 | S43 | H2 | 126.7° | 180.0° |
| O5 | C1 | C18 | H45 | 117.5° | 121.3° |
| O5 | C1 | C18 | O19 | 39.6° | 144.9° |
| C1 | O5 | C4 | H48 | 99.3° | 107.3° |
| O5 | C1 | C18 | H53 | 80.7° | 25.1° |
| O5 | C1 | C18 | H54 | 160.0° | 95.1° |
| O5 | C1 | C2 | H46 | 144.6° | 130.5° |
| C1 | C18 | O19 | P20 | 139.9° | 95.8° |
| C1 | C18 | O19 | H53 | 120.3° | 119.7° |
| C1 | C18 | O19 | H54 | 120.3° | 119.8° |
| C1 | C18 | H53 | H54 | 119.1° | 120.3° |
| C18 | C1 | C2 | H46 | 19.9° | 10.9° |
| O41 | P20 | O19 | S43 | 137.0° | 119.8° |
| O41 | P20 | O19 | C18 | 176.2° | 23.6° |
| O41 | P20 | S43 | H2 | 0.0° | 60.2° |
| P20 | O19 | C18 | H53 | 99.7° | 24.0° |
| P20 | O19 | C18 | H54 | 19.6° | 144.4° |
| O19 | P20 | S43 | H2 | 129.1° | 59.7° |
| S43 | P20 | O19 | C18 | 39.2° | 96.2° |
| O19 | C18 | C1 | H45 | 157.2° | 93.7° |
| O19 | C18 | H53 | H54 | 119.1° | 120.5° |
| H48 | C4 | C3 | H47 | 159.3° | 141.4° |
| H55 | C21 | C22 | H56 | 161.3° | 132.0° |
| H55 | C21 | C37 | H64 | 48.6° | 174.7° |
| H55 | C21 | C37 | H63 | 71.4° | 54.7° |
| H56 | C22 | C23 | H57 | 39.1° | 16.9° |
| H58 | C24 | C23 | H57 | 93.2° | 104.1° |
| H45 | C1 | C18 | H53 | 36.9° | 146.5° |
| H45 | C1 | C18 | H54 | 82.5° | 26.2° |
| H45 | C1 | C2 | H46 | 100.0° | 109.3° |
| H46 | C2 | C3 | H47 | 37.4° | 18.8° |
| H46 | C2 | O7 | H49 | 55.7° | 60.9° |
