WY8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N37 | C36 | sing | 1.36Å | 1.35Å | |
| N37 | C38 | sing | 1.35Å | 1.38Å | |
| C36 | N35 | doub | 1.30Å | 1.30Å | |
| O39 | C38 | doub | 1.22Å | 1.23Å | |
| C38 | C33 | sing | 1.42Å | 1.43Å | |
| N35 | C34 | sing | 1.34Å | 1.35Å | |
| C33 | C34 | doub | 1.40Å | 1.37Å | Aromatic |
| C33 | N32 | sing | 1.35Å | 1.38Å | Aromatic |
| C34 | N30 | sing | 1.37Å | 1.37Å | Aromatic |
| N32 | C31 | doub | 1.30Å | 1.31Å | Aromatic |
| N30 | C31 | sing | 1.36Å | 1.37Å | Aromatic |
| N30 | C29 | sing | 1.46Å | 1.47Å | |
| C29 | C28 | sing | 1.54Å | 1.52Å | |
| C29 | C40 | sing | 1.54Å | 1.50Å | |
| C28 | C3 | sing | 1.54Å | 1.55Å | |
| F1 | C1 | sing | 1.38Å | 1.40Å | |
| O41 | C40 | sing | 1.42Å | 1.44Å | |
| O41 | P42 | sing | 1.61Å | 1.56Å | |
| C40 | C1 | sing | 1.54Å | 1.52Å | |
| N6 | C6 | sing | 1.38Å | 1.33Å | |
| C3 | C1 | sing | 1.55Å | 1.54Å | |
| C3 | C7 | sing | 1.52Å | 1.51Å | |
| O44 | P42 | doub | 1.48Å | 1.47Å | |
| P42 | S43 | sing | 2.12Å | 2.07Å | |
| P42 | O11 | sing | 1.61Å | 1.56Å | |
| N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
| C6 | C5 | doub | 1.41Å | 1.40Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| C7 | O5 | sing | 1.44Å | 1.44Å | |
| C5 | C4 | sing | 1.40Å | 1.38Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.37Å | Aromatic |
| O11 | C10 | sing | 1.43Å | 1.44Å | |
| N1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| O5 | P6 | sing | 1.61Å | 1.56Å | |
| C4 | N9 | sing | 1.37Å | 1.37Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.33Å | Aromatic |
| O27 | P6 | doub | 1.48Å | 1.48Å | |
| N9 | C13 | sing | 1.46Å | 1.45Å | |
| C2 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| C10 | C9 | sing | 1.53Å | 1.51Å | |
| P6 | O7 | sing | 1.61Å | 1.56Å | |
| P6 | S26 | sing | 2.12Å | 2.08Å | |
| C11 | C9 | sing | 1.53Å | 1.52Å | |
| C11 | C24 | sing | 1.54Å | 1.52Å | |
| C11 | O7 | sing | 1.42Å | 1.44Å | |
| C9 | O12 | sing | 1.43Å | 1.44Å | |
| C13 | O12 | sing | 1.43Å | 1.42Å | |
| C13 | C24 | sing | 1.54Å | 1.52Å | |
| C24 | F25 | sing | 1.40Å | 1.40Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C24 | H7 | sing | 1.08Å | 1.10Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.08Å | 1.10Å | |
| C29 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C31 | H12 | sing | 1.08Å | 1.08Å | |
| C36 | H13 | sing | 1.08Å | 1.08Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C40 | H16 | sing | 1.08Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| N6 | HN61 | sing | 0.97Å | 1.00Å | |
| N6 | HN62 | sing | 0.97Å | 1.00Å | |
| N37 | H21 | sing | 0.97Å | 1.00Å | |
| S26 | H22 | sing | 1.34Å | 1.30Å | |
| S43 | H23 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | N37 | C38 | 124.6° | 120.4° |
| N37 | C36 | N35 | 125.3° | 122.2° |
| N37 | C36 | H13 | 117.4° | 118.9° |
| C36 | N37 | H21 | 117.7° | 119.8° |
| N37 | C38 | O39 | 120.7° | 120.9° |
| N37 | C38 | C33 | 111.6° | 118.2° |
| C38 | N37 | H21 | 117.7° | 119.8° |
| C36 | N35 | C34 | 112.4° | 121.2° |
| N35 | C36 | H13 | 117.3° | 118.9° |
| O39 | C38 | C33 | 127.7° | 120.9° |
| C38 | C33 | C34 | 118.6° | 118.4° |
| C38 | C33 | N32 | 131.0° | 134.3° |
| N35 | C34 | C33 | 127.4° | 119.6° |
| N35 | C34 | N30 | 126.4° | 134.3° |
| C34 | C33 | N32 | 110.4° | 107.3° |
| C33 | C34 | N30 | 106.1° | 106.1° |
| C33 | N32 | C31 | 104.4° | 109.3° |
| C34 | N30 | C31 | 106.1° | 107.5° |
| C34 | N30 | C29 | 124.8° | 126.3° |
| N32 | C31 | N30 | 113.0° | 109.8° |
| N32 | C31 | H12 | 123.5° | 125.1° |
| C31 | N30 | C29 | 129.0° | 126.3° |
| N30 | C31 | H12 | 123.5° | 125.1° |
| N30 | C29 | C28 | 115.7° | 110.0° |
| N30 | C29 | C40 | 113.7° | 109.5° |
| N30 | C29 | H10 | 109.8° | 110.7° |
| C28 | C29 | C40 | 98.2° | 107.3° |
| C29 | C28 | C3 | 103.1° | 105.2° |
| C29 | C28 | H6 | 111.0° | 109.6° |
| C29 | C28 | H9 | 111.0° | 110.0° |
| C28 | C29 | H10 | 109.3° | 109.9° |
| C29 | C40 | O41 | 107.7° | 109.3° |
| C29 | C40 | C1 | 98.2° | 104.8° |
| C40 | C29 | H10 | 109.5° | 109.5° |
| C29 | C40 | H16 | 112.2° | 110.4° |
| C28 | C3 | C1 | 103.7° | 103.8° |
| C28 | C3 | C7 | 113.5° | 112.6° |
| C3 | C28 | H6 | 111.0° | 110.1° |
| C3 | C28 | H9 | 111.1° | 110.5° |
| C28 | C3 | H11 | 108.7° | 108.8° |
| F1 | C1 | C40 | 109.2° | 112.1° |
| F1 | C1 | C3 | 114.1° | 110.7° |
| F1 | C1 | H5 | 111.8° | 111.4° |
| C40 | O41 | P42 | 120.8° | 125.0° |
| O41 | C40 | C1 | 112.5° | 109.3° |
| O41 | C40 | H16 | 113.3° | 112.2° |
| O41 | P42 | O44 | 106.3° | 109.6° |
| O41 | P42 | S43 | 106.1° | 109.4° |
| O41 | P42 | O11 | 105.8° | 109.7° |
| C40 | C1 | C3 | 101.5° | 103.0° |
| C40 | C1 | H5 | 110.0° | 109.9° |
| C1 | C40 | H16 | 111.9° | 110.6° |
| N6 | C6 | C5 | 120.8° | 120.8° |
| N6 | C6 | N1 | 120.5° | 120.8° |
| C6 | N6 | HN61 | 109.5° | 120.1° |
| C6 | N6 | HN62 | 109.4° | 120.0° |
| C1 | C3 | C7 | 112.7° | 110.5° |
| C3 | C1 | H5 | 109.8° | 109.4° |
| C1 | C3 | H11 | 108.9° | 109.2° |
| C3 | C7 | O5 | 114.6° | 108.8° |
| C7 | C3 | H11 | 109.1° | 111.6° |
| C3 | C7 | H14 | 108.2° | 110.1° |
| C3 | C7 | H15 | 108.1° | 110.4° |
| O44 | P42 | S43 | 114.1° | 109.3° |
| O44 | P42 | O11 | 114.6° | 109.5° |
| S43 | P42 | O11 | 109.3° | 109.3° |
| P42 | S43 | H23 | 102.0° | 103.0° |
| P42 | O11 | C10 | 117.6° | 123.5° |
| C5 | N7 | C8 | 103.7° | 109.4° |
| N7 | C5 | C6 | 132.7° | 134.6° |
| N7 | C5 | C4 | 110.7° | 107.2° |
| N7 | C8 | N9 | 114.0° | 110.0° |
| N7 | C8 | H8 | 123.0° | 125.0° |
| C5 | C6 | N1 | 118.7° | 118.4° |
| C6 | C5 | C4 | 116.5° | 118.2° |
| C6 | N1 | C2 | 118.1° | 121.2° |
| C7 | O5 | P6 | 117.9° | 122.5° |
| O5 | C7 | H14 | 108.2° | 109.1° |
| O5 | C7 | H15 | 108.2° | 109.0° |
| C5 | C4 | N9 | 105.8° | 106.0° |
| C5 | C4 | N3 | 126.7° | 119.1° |
| C8 | N9 | C4 | 105.7° | 107.4° |
| C8 | N9 | C13 | 127.7° | 126.3° |
| N9 | C8 | H8 | 123.0° | 125.0° |
| O11 | C10 | C9 | 110.9° | 109.5° |
| O11 | C10 | H1 | 109.1° | 109.7° |
| O11 | C10 | H4 | 109.1° | 109.4° |
| N1 | C2 | N3 | 128.8° | 122.4° |
| N1 | C2 | H2 | 115.6° | 118.8° |
| O5 | P6 | O27 | 111.8° | 109.3° |
| O5 | P6 | O7 | 102.8° | 110.1° |
| O5 | P6 | S26 | 112.9° | 109.5° |
| N9 | C4 | N3 | 127.5° | 134.9° |
| C4 | N9 | C13 | 126.5° | 126.3° |
| C4 | N3 | C2 | 111.3° | 120.7° |
| O27 | P6 | O7 | 111.4° | 109.3° |
| O27 | P6 | S26 | 110.2° | 109.2° |
| N9 | C13 | O12 | 108.2° | 109.8° |
| N9 | C13 | C24 | 113.2° | 110.0° |
| N9 | C13 | H3 | 109.8° | 109.7° |
| N3 | C2 | H2 | 115.6° | 118.8° |
| C10 | C9 | C11 | 115.2° | 110.5° |
| C10 | C9 | O12 | 109.4° | 109.3° |
| C9 | C10 | H1 | 109.1° | 109.7° |
| C9 | C10 | H4 | 109.1° | 109.5° |
| C10 | C9 | H18 | 108.9° | 109.3° |
| O7 | P6 | S26 | 107.5° | 109.4° |
| P6 | O7 | C11 | 120.3° | 124.9° |
| P6 | S26 | H22 | 102.0° | 103.0° |
| C9 | C11 | C24 | 102.5° | 104.4° |
| C9 | C11 | O7 | 108.1° | 111.4° |
| C11 | C9 | O12 | 104.8° | 108.3° |
| C9 | C11 | H17 | 111.7° | 110.9° |
| C11 | C9 | H18 | 108.7° | 110.4° |
| C24 | C11 | O7 | 109.3° | 109.5° |
| C11 | C24 | C13 | 103.4° | 103.6° |
| C11 | C24 | F25 | 109.9° | 110.0° |
| C11 | C24 | H7 | 110.7° | 110.5° |
| C24 | C11 | H17 | 111.7° | 109.7° |
| O7 | C11 | H17 | 113.0° | 110.7° |
| C9 | O12 | C13 | 111.2° | 110.7° |
| O12 | C9 | H18 | 109.8° | 109.1° |
| O12 | C13 | C24 | 106.4° | 107.7° |
| O12 | C13 | H3 | 110.3° | 109.7° |
| C13 | C24 | F25 | 109.3° | 110.4° |
| C24 | C13 | H3 | 108.8° | 109.9° |
| C13 | C24 | H7 | 110.6° | 111.0° |
| F25 | C24 | H7 | 112.6° | 111.1° |
| H1 | C10 | H4 | 109.4° | 109.0° |
| H6 | C28 | H9 | 109.5° | 111.3° |
| H14 | C7 | H15 | 109.5° | 109.5° |
| HN61 | N6 | HN62 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | N37 | C38 | H21 | 180.0° | 180.0° |
| N37 | C36 | N35 | H13 | 180.0° | 180.0° |
| C36 | N37 | C38 | O39 | 178.9° | 180.0° |
| C36 | N37 | C38 | C33 | 0.3° | 0.1° |
| N37 | C36 | N35 | C34 | 0.1° | 0.0° |
| C38 | N37 | C36 | N35 | 0.2° | 0.0° |
| N37 | C38 | O39 | C33 | 179.0° | 179.9° |
| N37 | C38 | C33 | C34 | 0.1° | 0.1° |
| N37 | C38 | C33 | N32 | 179.2° | 180.0° |
| C38 | N37 | C36 | H13 | 179.8° | 179.9° |
| C36 | N35 | C34 | C33 | 0.3° | 0.0° |
| C36 | N35 | C34 | N30 | 179.2° | 180.0° |
| N35 | C36 | N37 | H21 | 179.8° | 180.0° |
| O39 | C38 | C33 | C34 | 179.0° | 180.0° |
| O39 | C38 | C33 | N32 | 1.7° | 0.1° |
| O39 | C38 | N37 | H21 | 1.1° | 0.1° |
| C38 | C33 | C34 | N35 | 0.2° | 0.0° |
| C38 | C33 | C34 | N32 | 179.4° | 180.0° |
| C38 | C33 | C34 | N30 | 179.3° | 179.9° |
| C38 | C33 | N32 | C31 | 179.3° | 179.8° |
| C33 | C38 | N37 | H21 | 179.8° | 180.0° |
| N35 | C34 | C33 | N30 | 179.6° | 180.0° |
| N35 | C34 | C33 | N32 | 179.6° | 180.0° |
| N35 | C34 | N30 | C31 | 179.7° | 179.8° |
| N35 | C34 | N30 | C29 | 4.3° | 0.2° |
| C34 | N35 | C36 | H13 | 179.9° | 180.0° |
| C34 | C33 | N32 | C31 | 0.0° | 0.2° |
| C33 | C34 | N30 | C31 | 0.1° | 0.1° |
| C33 | C34 | N30 | C29 | 175.2° | 179.9° |
| N32 | C33 | C34 | N30 | 0.1° | 0.0° |
| C33 | N32 | C31 | N30 | 0.1° | 0.2° |
| C33 | N32 | C31 | H12 | 179.9° | 179.9° |
| C34 | N30 | C31 | N32 | 0.1° | 0.2° |
| C34 | N30 | C31 | C29 | 175.1° | 180.0° |
| C34 | N30 | C29 | C28 | 140.4° | 121.4° |
| C34 | N30 | C29 | C40 | 107.1° | 120.9° |
| C34 | N30 | C29 | H10 | 16.1° | 0.2° |
| C34 | N30 | C31 | H12 | 179.8° | 179.9° |
| N32 | C31 | N30 | H12 | 180.0° | 179.7° |
| N32 | C31 | N30 | C29 | 175.0° | 179.7° |
| C31 | N30 | C29 | C28 | 45.4° | 58.6° |
| C31 | N30 | C29 | C40 | 67.2° | 59.1° |
| C31 | N30 | C29 | H10 | 169.7° | 179.8° |
| N30 | C29 | C28 | C40 | 121.3° | 119.0° |
| N30 | C29 | C28 | H10 | 124.6° | 122.0° |
| N30 | C29 | C40 | H10 | 123.3° | 121.5° |
| N30 | C29 | C28 | C3 | 165.0° | 128.6° |
| N30 | C29 | C40 | O41 | 62.0° | 139.0° |
| N30 | C29 | C40 | C1 | 178.9° | 103.9° |
| N30 | C29 | C28 | H6 | 46.0° | 10.2° |
| N30 | C29 | C28 | H9 | 76.0° | 112.5° |
| C29 | N30 | C31 | H12 | 5.1° | 0.0° |
| N30 | C29 | C40 | H16 | 63.3° | 15.1° |
| C28 | C29 | C40 | H10 | 113.9° | 119.2° |
| C29 | C28 | C3 | H6 | 119.0° | 118.0° |
| C29 | C28 | C3 | H9 | 119.0° | 118.6° |
| C28 | C29 | C40 | O41 | 175.2° | 101.7° |
| C28 | C29 | C40 | C1 | 58.3° | 15.4° |
| C29 | C28 | C3 | C1 | 12.6° | 30.7° |
| C29 | C28 | C3 | C7 | 135.2° | 150.2° |
| C29 | C28 | H6 | H9 | 122.9° | 121.8° |
| C29 | C28 | C3 | H11 | 103.1° | 85.5° |
| C28 | C29 | C40 | H16 | 59.5° | 134.4° |
| C40 | C29 | C28 | C3 | 43.7° | 9.5° |
| C29 | C40 | C1 | F1 | 70.3° | 153.2° |
| C29 | C40 | O41 | C1 | 107.1° | 114.2° |
| C29 | C40 | O41 | H16 | 124.7° | 122.8° |
| C29 | C40 | O41 | P42 | 156.6° | 168.0° |
| C29 | C40 | C1 | H16 | 118.0° | 118.9° |
| C29 | C40 | C1 | C3 | 50.6° | 34.1° |
| C29 | C40 | C1 | H5 | 166.7° | 82.3° |
| C40 | C29 | C28 | H6 | 75.3° | 108.8° |
| C40 | C29 | C28 | H9 | 162.7° | 128.5° |
| C28 | C3 | C1 | F1 | 94.4° | 160.3° |
| C28 | C3 | C1 | C40 | 22.9° | 40.2° |
| C28 | C3 | C1 | C7 | 123.2° | 120.9° |
| C28 | C3 | C1 | H11 | 115.6° | 116.0° |
| C28 | C3 | C7 | H11 | 121.4° | 122.8° |
| C28 | C3 | C7 | O5 | 95.7° | 176.2° |
| C28 | C3 | C1 | H5 | 139.2° | 76.6° |
| C3 | C28 | H6 | H9 | 123.0° | 122.9° |
| C3 | C28 | C29 | H10 | 70.4° | 109.4° |
| C28 | C3 | C7 | H14 | 25.0° | 64.3° |
| C28 | C3 | C7 | H15 | 143.5° | 56.7° |
| F1 | C1 | C40 | O41 | 42.8° | 36.1° |
| F1 | C1 | C40 | C3 | 120.8° | 119.0° |
| F1 | C1 | C40 | H5 | 123.0° | 124.5° |
| F1 | C1 | C3 | H5 | 126.4° | 123.2° |
| F1 | C1 | C3 | C7 | 142.4° | 78.8° |
| F1 | C1 | C3 | H11 | 21.1° | 44.3° |
| F1 | C1 | C40 | H16 | 171.7° | 87.9° |
| O41 | C40 | C1 | H16 | 128.8° | 124.0° |
| O41 | C40 | C1 | C3 | 163.7° | 82.9° |
| C40 | O41 | P42 | O44 | 145.4° | 30.1° |
| C40 | O41 | P42 | S43 | 92.8° | 149.9° |
| C40 | O41 | P42 | O11 | 23.3° | 90.1° |
| O41 | C40 | C1 | H5 | 80.1° | 160.6° |
| O41 | C40 | C29 | H10 | 61.3° | 17.5° |
| P42 | O41 | C40 | C1 | 96.3° | 53.8° |
| O41 | P42 | O44 | S43 | 116.5° | 119.9° |
| O41 | P42 | O44 | O11 | 116.5° | 120.4° |
| O41 | P42 | S43 | O11 | 113.7° | 120.2° |
| O41 | P42 | O11 | C10 | 129.9° | 135.2° |
| P42 | O41 | C40 | H16 | 31.9° | 69.3° |
| O41 | P42 | S43 | H23 | 116.6° | 180.0° |
| C40 | C1 | C3 | H5 | 116.3° | 116.8° |
| C40 | C1 | C3 | C7 | 100.3° | 161.2° |
| C1 | C40 | C29 | H10 | 55.6° | 134.6° |
| C40 | C1 | C3 | H11 | 138.4° | 75.7° |
| N6 | C6 | C5 | N7 | 1.5° | 0.4° |
| N6 | C6 | C5 | N1 | 175.9° | 179.9° |
| N6 | C6 | C5 | C4 | 175.2° | 180.0° |
| N6 | C6 | N1 | C2 | 175.5° | 180.0° |
| C6 | N6 | HN61 | HN62 | 120.0° | 180.0° |
| C1 | C3 | C7 | H11 | 121.1° | 121.7° |
| C1 | C3 | C7 | O5 | 21.7° | 68.3° |
| C1 | C3 | C28 | H6 | 106.3° | 87.3° |
| C1 | C3 | C28 | H9 | 131.6° | 149.4° |
| C1 | C3 | C7 | H14 | 142.5° | 51.2° |
| C1 | C3 | C7 | H15 | 99.0° | 172.2° |
| C3 | C1 | C40 | H16 | 67.5° | 153.1° |
| C3 | C7 | O5 | H14 | 120.7° | 120.1° |
| C3 | C7 | O5 | H15 | 120.7° | 120.4° |
| C3 | C7 | O5 | P6 | 148.2° | 88.8° |
| C7 | C3 | C1 | H5 | 16.0° | 44.3° |
| C7 | C3 | C28 | H6 | 16.3° | 32.2° |
| C7 | C3 | C28 | H9 | 105.8° | 91.2° |
| C3 | C7 | H14 | H15 | 117.6° | 121.6° |
| O44 | P42 | S43 | O11 | 129.7° | 119.8° |
| O44 | P42 | O11 | C10 | 113.4° | 14.9° |
| O44 | P42 | S43 | H23 | 0.0° | 60.0° |
| S43 | P42 | O11 | C10 | 16.1° | 104.8° |
| P42 | O11 | C10 | C9 | 179.3° | 172.5° |
| P42 | O11 | C10 | H1 | 59.1° | 52.0° |
| P42 | O11 | C10 | H4 | 60.4° | 67.5° |
| O11 | P42 | S43 | H23 | 129.7° | 59.8° |
| N7 | C5 | C6 | C4 | 176.7° | 179.6° |
| N7 | C5 | C6 | N1 | 177.4° | 179.5° |
| C5 | N7 | C8 | N9 | 0.0° | 0.0° |
| N7 | C5 | C4 | N9 | 0.2° | 0.4° |
| N7 | C5 | C4 | N3 | 178.3° | 179.7° |
| C5 | N7 | C8 | H8 | 180.0° | 179.8° |
| C8 | N7 | C5 | C6 | 176.7° | 179.9° |
| C8 | N7 | C5 | C4 | 0.2° | 0.2° |
| N7 | C8 | N9 | H8 | 180.0° | 179.8° |
| N7 | C8 | N9 | C4 | 0.1° | 0.2° |
| N7 | C8 | N9 | C13 | 178.0° | 179.8° |
| C5 | C6 | N1 | C2 | 0.4° | 0.1° |
| C6 | C5 | C4 | N9 | 177.2° | 179.9° |
| C6 | C5 | C4 | N3 | 0.8° | 0.0° |
| C5 | C6 | N6 | HN61 | 175.9° | 0.1° |
| C5 | C6 | N6 | HN62 | 55.9° | 179.9° |
| N1 | C6 | C5 | C4 | 0.7° | 0.1° |
| C6 | N1 | C2 | N3 | 0.2° | 0.0° |
| C6 | N1 | C2 | H2 | 179.8° | 180.0° |
| N1 | C6 | N6 | HN61 | 0.0° | 180.0° |
| N1 | C6 | N6 | HN62 | 120.0° | 0.0° |
| C7 | O5 | P6 | O27 | 44.4° | 78.0° |
| C7 | O5 | P6 | O7 | 163.9° | 161.9° |
| C7 | O5 | P6 | S26 | 80.5° | 41.6° |
| O5 | C7 | C3 | H11 | 142.9° | 53.4° |
| O5 | C7 | H14 | H15 | 117.7° | 119.1° |
| C5 | C4 | N9 | C8 | 0.2° | 0.3° |
| C5 | C4 | N9 | N3 | 178.0° | 180.0° |
| C5 | C4 | N9 | C13 | 178.0° | 179.7° |
| C5 | C4 | N3 | C2 | 0.6° | 0.0° |
| C8 | N9 | C4 | C13 | 178.2° | 180.0° |
| C8 | N9 | C4 | N3 | 178.2° | 179.7° |
| C8 | N9 | C13 | O12 | 21.5° | 23.6° |
| C8 | N9 | C13 | C24 | 96.2° | 94.8° |
| C8 | N9 | C13 | H3 | 141.9° | 144.2° |
| O11 | C10 | C9 | H1 | 120.2° | 120.5° |
| O11 | C10 | C9 | H4 | 120.2° | 119.9° |
| O11 | C10 | C9 | C11 | 50.4° | 118.5° |
| O11 | C10 | C9 | O12 | 67.3° | 122.4° |
| O11 | C10 | H1 | H4 | 119.3° | 119.8° |
| O11 | C10 | C9 | H18 | 172.8° | 3.1° |
| N1 | C2 | N3 | C4 | 0.2° | 0.0° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| O5 | P6 | O27 | O7 | 114.4° | 120.6° |
| O5 | P6 | O27 | S26 | 126.4° | 119.8° |
| O5 | P6 | O7 | S26 | 119.3° | 120.4° |
| O5 | P6 | O7 | C11 | 71.1° | 36.9° |
| P6 | O5 | C7 | H14 | 27.5° | 151.0° |
| P6 | O5 | C7 | H15 | 91.1° | 31.6° |
| O5 | P6 | S26 | H22 | 125.8° | 59.6° |
| N9 | C4 | N3 | C2 | 177.0° | 180.0° |
| C4 | N9 | C13 | O12 | 156.3° | 156.4° |
| C4 | N9 | C13 | C24 | 86.0° | 85.2° |
| C4 | N9 | C13 | H3 | 35.8° | 35.8° |
| C4 | N9 | C8 | H8 | 179.9° | 180.0° |
| N3 | C4 | N9 | C13 | 0.1° | 0.3° |
| C4 | N3 | C2 | H2 | 179.7° | 180.0° |
| O27 | P6 | O7 | S26 | 120.8° | 119.6° |
| O27 | P6 | O7 | C11 | 48.8° | 156.9° |
| O27 | P6 | S26 | H22 | 0.0° | 60.0° |
| N9 | C13 | C24 | C11 | 96.5° | 142.5° |
| N9 | C13 | O12 | C9 | 119.9° | 135.2° |
| N9 | C13 | O12 | C24 | 121.9° | 119.8° |
| N9 | C13 | O12 | H3 | 120.2° | 120.7° |
| N9 | C13 | C24 | H3 | 122.4° | 120.9° |
| N9 | C13 | C24 | F25 | 146.5° | 99.7° |
| C13 | N9 | C8 | H8 | 2.0° | 0.0° |
| N9 | C13 | C24 | H7 | 22.1° | 23.9° |
| C10 | C9 | C11 | O12 | 120.2° | 119.7° |
| C10 | C9 | C11 | H18 | 122.5° | 121.0° |
| C10 | C9 | C11 | C24 | 152.3° | 106.6° |
| C10 | C9 | C11 | O7 | 92.4° | 135.3° |
| C10 | C9 | O12 | H18 | 119.4° | 119.4° |
| C10 | C9 | O12 | C13 | 143.3° | 121.7° |
| C9 | C10 | H1 | H4 | 119.4° | 119.9° |
| C10 | C9 | C11 | H17 | 32.6° | 11.5° |
| P6 | O7 | C11 | C9 | 146.3° | 78.7° |
| P6 | O7 | C11 | C24 | 102.9° | 166.3° |
| P6 | O7 | C11 | H17 | 22.1° | 45.2° |
| O7 | P6 | S26 | H22 | 121.6° | 179.6° |
| S26 | P6 | O7 | C11 | 169.6° | 83.5° |
| C9 | C11 | C24 | O7 | 114.5° | 119.4° |
| C9 | C11 | C24 | H17 | 119.8° | 118.9° |
| C9 | C11 | O7 | H17 | 124.2° | 123.9° |
| C11 | C9 | O12 | H18 | 116.6° | 120.1° |
| C11 | C9 | O12 | C13 | 19.2° | 1.3° |
| C9 | C11 | C24 | C13 | 32.9° | 21.2° |
| C9 | C11 | C24 | F25 | 83.7° | 139.3° |
| C11 | C9 | C10 | H1 | 69.8° | 1.9° |
| C11 | C9 | C10 | H4 | 170.6° | 121.5° |
| C9 | C11 | C24 | H7 | 151.3° | 97.7° |
| C24 | C11 | O7 | H17 | 125.0° | 121.1° |
| C24 | C11 | C9 | O12 | 32.1° | 13.1° |
| C11 | C24 | C13 | O12 | 22.3° | 22.8° |
| C11 | C24 | C13 | F25 | 117.0° | 117.8° |
| C11 | C24 | C13 | H7 | 118.5° | 118.6° |
| C11 | C24 | F25 | H7 | 123.9° | 122.6° |
| C11 | C24 | C13 | H3 | 141.1° | 96.6° |
| C24 | C11 | C9 | H18 | 85.2° | 132.4° |
| O7 | C11 | C9 | O12 | 147.5° | 105.0° |
| O7 | C11 | C24 | C13 | 147.4° | 98.2° |
| O7 | C11 | C24 | F25 | 30.8° | 19.9° |
| O7 | C11 | C24 | H7 | 94.2° | 142.9° |
| O7 | C11 | C9 | H18 | 30.1° | 14.3° |
| C9 | O12 | C13 | C24 | 2.0° | 15.5° |
| O12 | C9 | C10 | H1 | 172.5° | 117.1° |
| O12 | C9 | C10 | H4 | 52.9° | 2.5° |
| C9 | O12 | C13 | H3 | 119.9° | 104.1° |
| O12 | C9 | C11 | H17 | 87.6° | 131.2° |
| O12 | C13 | C24 | H3 | 118.9° | 119.4° |
| O12 | C13 | C24 | F25 | 94.7° | 140.6° |
| O12 | C13 | C24 | H7 | 140.8° | 95.7° |
| C13 | O12 | C9 | H18 | 97.3° | 118.9° |
| C13 | C24 | F25 | H7 | 123.4° | 123.6° |
| C13 | C24 | C11 | H17 | 86.9° | 140.2° |
| F25 | C24 | C13 | H3 | 24.1° | 21.2° |
| F25 | C24 | C11 | H17 | 156.5° | 101.8° |
| H1 | C10 | C9 | H18 | 52.6° | 123.6° |
| H4 | C10 | C9 | H18 | 67.0° | 116.8° |
| H3 | C13 | C24 | H7 | 100.3° | 144.8° |
| H5 | C1 | C3 | H11 | 105.2° | 167.5° |
| H5 | C1 | C40 | H16 | 48.7° | 36.6° |
| H7 | C24 | C11 | H17 | 31.6° | 21.2° |
| H6 | C28 | C29 | H10 | 170.6° | 132.2° |
| H6 | C28 | C3 | H11 | 137.9° | 156.5° |
| H9 | C28 | C29 | H10 | 48.6° | 9.6° |
| H9 | C28 | C3 | H11 | 15.9° | 33.2° |
| H10 | C29 | C40 | H16 | 173.4° | 106.3° |
| H11 | C3 | C7 | H14 | 96.4° | 172.9° |
| H11 | C3 | C7 | H15 | 22.1° | 66.1° |
| H13 | C36 | N37 | H21 | 0.2° | 0.1° |
| H17 | C11 | C9 | H18 | 155.1° | 109.5° |
