5GY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O19 | P18 | doub | 1.48Å | 1.50Å | |
| O21 | P18 | sing | 1.61Å | 1.50Å | |
| O08 | C07 | sing | 1.43Å | 1.38Å | |
| P18 | O20 | sing | 1.61Å | 1.52Å | |
| P18 | O17 | sing | 1.61Å | 1.59Å | |
| C09 | C07 | sing | 1.53Å | 1.55Å | |
| C09 | F10 | sing | 1.40Å | 1.38Å | |
| C07 | C06 | sing | 1.51Å | 1.55Å | |
| O17 | P16 | sing | 1.61Å | 1.58Å | |
| S11 | C06 | sing | 1.71Å | 1.69Å | Aromatic |
| S11 | C12 | sing | 1.76Å | 1.73Å | Aromatic |
| C06 | N05 | doub | 1.29Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| C14 | O15 | sing | 1.43Å | 1.41Å | |
| C12 | C13 | sing | 1.51Å | 1.55Å | |
| C12 | C24 | doub | 1.34Å | 1.41Å | Aromatic |
| P16 | O15 | sing | 1.61Å | 1.59Å | |
| P16 | O23 | doub | 1.48Å | 1.52Å | |
| P16 | O22 | sing | 1.61Å | 1.52Å | |
| N05 | C24 | sing | 1.32Å | 1.37Å | Aromatic |
| N05 | C04 | sing | 1.47Å | 1.48Å | |
| N01 | C02 | sing | 1.39Å | 1.41Å | |
| C24 | C25 | sing | 1.51Å | 1.49Å | |
| C04 | C03 | sing | 1.51Å | 1.57Å | |
| C02 | C03 | doub | 1.40Å | 1.43Å | Aromatic |
| C02 | N30 | sing | 1.33Å | 1.35Å | Aromatic |
| C03 | C26 | sing | 1.38Å | 1.41Å | Aromatic |
| N30 | C28 | doub | 1.32Å | 1.31Å | Aromatic |
| C26 | N27 | doub | 1.33Å | 1.35Å | Aromatic |
| C28 | N27 | sing | 1.32Å | 1.33Å | Aromatic |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| N01 | H1 | sing | 0.97Å | 1.00Å | |
| N01 | H2 | sing | 0.97Å | 1.00Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| O08 | H6 | sing | 0.97Å | 0.95Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| O20 | H13 | sing | 0.97Å | 0.95Å | |
| O21 | H14 | sing | 0.97Å | 0.95Å | |
| O22 | H15 | sing | 0.97Å | 0.95Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O19 | P18 | O21 | 108.0° | 109.5° |
| O19 | P18 | O20 | 109.4° | 109.4° |
| O19 | P18 | O17 | 106.6° | 109.5° |
| O21 | P18 | O20 | 110.7° | 109.5° |
| O21 | P18 | O17 | 109.8° | 109.5° |
| P18 | O21 | H14 | 109.5° | 114.0° |
| O08 | C07 | C09 | 109.5° | 109.5° |
| O08 | C07 | C06 | 109.5° | 109.5° |
| O08 | C07 | H5 | 110.8° | 109.5° |
| C07 | O08 | H6 | 109.5° | 114.0° |
| O20 | P18 | O17 | 112.2° | 109.5° |
| P18 | O20 | H13 | 109.5° | 114.0° |
| P18 | O17 | P16 | 126.2° | 134.0° |
| C07 | C09 | F10 | 113.1° | 109.5° |
| C09 | C07 | C06 | 110.1° | 109.5° |
| C09 | C07 | H5 | 108.5° | 109.5° |
| C07 | C09 | H7 | 108.6° | 109.5° |
| C07 | C09 | H8 | 108.5° | 109.5° |
| F10 | C09 | H7 | 108.5° | 109.5° |
| F10 | C09 | H8 | 108.5° | 109.4° |
| C07 | C06 | S11 | 126.9° | 124.9° |
| C07 | C06 | N05 | 127.2° | 125.0° |
| C06 | C07 | H5 | 108.4° | 109.4° |
| O17 | P16 | O15 | 107.1° | 109.5° |
| O17 | P16 | O23 | 109.5° | 109.5° |
| O17 | P16 | O22 | 112.4° | 109.5° |
| C06 | S11 | C12 | 97.2° | 90.3° |
| S11 | C06 | N05 | 105.8° | 110.2° |
| S11 | C12 | C13 | 128.9° | 126.1° |
| S11 | C12 | C24 | 106.2° | 107.9° |
| C06 | N05 | C24 | 118.0° | 117.1° |
| C06 | N05 | C04 | 122.9° | 121.4° |
| C13 | C14 | O15 | 98.7° | 109.5° |
| C14 | C13 | C12 | 119.5° | 109.4° |
| C14 | C13 | H9 | 106.9° | 109.5° |
| C14 | C13 | H10 | 106.9° | 109.5° |
| C13 | C14 | H11 | 112.1° | 109.5° |
| C13 | C14 | H12 | 112.1° | 109.5° |
| C14 | O15 | P16 | 120.8° | 123.0° |
| O15 | C14 | H11 | 112.1° | 109.5° |
| O15 | C14 | H12 | 112.1° | 109.4° |
| C13 | C12 | C24 | 124.8° | 126.1° |
| C12 | C13 | H9 | 106.9° | 109.4° |
| C12 | C13 | H10 | 106.9° | 109.4° |
| C12 | C24 | N05 | 112.7° | 114.5° |
| C12 | C24 | C25 | 121.8° | 122.7° |
| O15 | P16 | O23 | 112.3° | 109.5° |
| O15 | P16 | O22 | 104.7° | 109.5° |
| O23 | P16 | O22 | 110.7° | 109.4° |
| P16 | O22 | H15 | 109.5° | 114.0° |
| C24 | N05 | C04 | 118.9° | 121.5° |
| N05 | C24 | C25 | 125.4° | 122.7° |
| N05 | C04 | C03 | 100.8° | 109.5° |
| N05 | C04 | H3 | 111.6° | 109.5° |
| N05 | C04 | H4 | 111.6° | 109.4° |
| N01 | C02 | C03 | 123.1° | 120.5° |
| N01 | C02 | N30 | 115.3° | 120.5° |
| C02 | N01 | H1 | 109.5° | 120.0° |
| C02 | N01 | H2 | 109.5° | 120.0° |
| C24 | C25 | H16 | 109.5° | 109.5° |
| C24 | C25 | H17 | 109.5° | 109.5° |
| C24 | C25 | H18 | 109.5° | 109.5° |
| C04 | C03 | C02 | 123.4° | 120.8° |
| C04 | C03 | C26 | 122.6° | 120.8° |
| C03 | C04 | H3 | 111.6° | 109.5° |
| C03 | C04 | H4 | 111.6° | 109.5° |
| C03 | C02 | N30 | 121.6° | 118.9° |
| C02 | C03 | C26 | 114.0° | 118.4° |
| C02 | N30 | C28 | 121.3° | 120.7° |
| C03 | C26 | N27 | 120.4° | 119.2° |
| C03 | C26 | H19 | 119.8° | 120.4° |
| N30 | C28 | N27 | 120.4° | 121.8° |
| N30 | C28 | C29 | 118.7° | 119.1° |
| C26 | N27 | C28 | 122.2° | 121.0° |
| N27 | C26 | H19 | 119.8° | 120.4° |
| N27 | C28 | C29 | 120.9° | 119.1° |
| C28 | C29 | H20 | 109.5° | 109.5° |
| C28 | C29 | H21 | 109.4° | 109.5° |
| C28 | C29 | H22 | 109.5° | 109.4° |
| H1 | N01 | H2 | 109.5° | 120.0° |
| H3 | C04 | H4 | 109.5° | 109.5° |
| H7 | C09 | H8 | 109.5° | 109.4° |
| H9 | C13 | H10 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H16 | C25 | H17 | 109.5° | 109.4° |
| H16 | C25 | H18 | 109.5° | 109.5° |
| H17 | C25 | H18 | 109.5° | 109.5° |
| H20 | C29 | H21 | 109.5° | 109.4° |
| H20 | C29 | H22 | 109.4° | 109.5° |
| H21 | C29 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O19 | P18 | O21 | O20 | 119.7° | 120.0° |
| O19 | P18 | O21 | O17 | 115.9° | 120.0° |
| O19 | P18 | O20 | O17 | 118.0° | 120.0° |
| O19 | P18 | O17 | P16 | 127.3° | 40.0° |
| O19 | P18 | O20 | H13 | 0.0° | 180.0° |
| O19 | P18 | O21 | H14 | 0.0° | 60.0° |
| O21 | P18 | O20 | O17 | 123.0° | 120.0° |
| O21 | P18 | O17 | P16 | 115.9° | 160.0° |
| O21 | P18 | O20 | H13 | 119.0° | 59.9° |
| O08 | C07 | C09 | C06 | 120.4° | 120.0° |
| O08 | C07 | C09 | H5 | 121.0° | 120.0° |
| O08 | C07 | C09 | F10 | 141.1° | 64.2° |
| O08 | C07 | C06 | H5 | 121.0° | 120.0° |
| O08 | C07 | C06 | S11 | 20.6° | 48.4° |
| O08 | C07 | C06 | N05 | 158.1° | 131.5° |
| O08 | C07 | C09 | H7 | 98.4° | 175.7° |
| O08 | C07 | C09 | H8 | 20.6° | 55.7° |
| O20 | P18 | O17 | P16 | 7.6° | 80.0° |
| O20 | P18 | O21 | H14 | 119.8° | 60.0° |
| P18 | O17 | P16 | O15 | 71.3° | 160.0° |
| P18 | O17 | P16 | O23 | 166.6° | 40.0° |
| P18 | O17 | P16 | O22 | 43.1° | 80.0° |
| O17 | P18 | O20 | H13 | 118.0° | 60.1° |
| O17 | P18 | O21 | H14 | 115.8° | 180.0° |
| C07 | C09 | F10 | H7 | 120.5° | 120.0° |
| C07 | C09 | F10 | H8 | 120.5° | 120.0° |
| C09 | C07 | C06 | H5 | 118.6° | 120.0° |
| C09 | C07 | C06 | S11 | 99.8° | 71.6° |
| C09 | C07 | C06 | N05 | 81.5° | 108.5° |
| C09 | C07 | O08 | H6 | 180.0° | 60.0° |
| C07 | C09 | H7 | H8 | 118.3° | 120.0° |
| F10 | C09 | C07 | C06 | 98.5° | 175.7° |
| F10 | C09 | C07 | H5 | 20.1° | 55.8° |
| F10 | C09 | H7 | H8 | 118.3° | 119.9° |
| C07 | C06 | S11 | N05 | 178.9° | 179.9° |
| C07 | C06 | S11 | C12 | 179.8° | 180.0° |
| C07 | C06 | N05 | C24 | 178.6° | 180.0° |
| C07 | C06 | N05 | C04 | 4.2° | 0.3° |
| C06 | C07 | O08 | H6 | 59.2° | 60.0° |
| C06 | C07 | C09 | H7 | 22.1° | 55.7° |
| C06 | C07 | C09 | H8 | 141.0° | 64.3° |
| O17 | P16 | O15 | C14 | 28.7° | 175.0° |
| O17 | P16 | O15 | O23 | 120.3° | 120.0° |
| O17 | P16 | O15 | O22 | 119.5° | 120.0° |
| O17 | P16 | O23 | O22 | 124.5° | 120.0° |
| O17 | P16 | O22 | H15 | 122.8° | 60.0° |
| C06 | S11 | C12 | C13 | 178.1° | 179.9° |
| C06 | S11 | C12 | C24 | 2.3° | 0.0° |
| S11 | C06 | N05 | C24 | 0.3° | 0.0° |
| S11 | C06 | N05 | C04 | 174.7° | 179.8° |
| S11 | C06 | C07 | H5 | 141.6° | 168.4° |
| C12 | S11 | C06 | N05 | 1.2° | 0.0° |
| S11 | C12 | C13 | C14 | 73.0° | 90.0° |
| S11 | C12 | C13 | C24 | 175.1° | 180.0° |
| S11 | C12 | C24 | N05 | 2.8° | 0.0° |
| S11 | C12 | C24 | C25 | 178.5° | 179.7° |
| S11 | C12 | C13 | H9 | 48.4° | 30.0° |
| S11 | C12 | C13 | H10 | 165.6° | 150.0° |
| C06 | N05 | C24 | C12 | 2.2° | 0.0° |
| C06 | N05 | C24 | C04 | 174.6° | 179.7° |
| C06 | N05 | C24 | C25 | 177.7° | 179.7° |
| C06 | N05 | C04 | C03 | 106.5° | 95.1° |
| C06 | N05 | C04 | H3 | 134.9° | 24.9° |
| C06 | N05 | C04 | H4 | 12.1° | 144.9° |
| N05 | C06 | C07 | H5 | 37.1° | 11.5° |
| C13 | C14 | O15 | H11 | 118.2° | 120.0° |
| C13 | C14 | O15 | H12 | 118.2° | 120.0° |
| C14 | C13 | C12 | H9 | 121.4° | 120.0° |
| C14 | C13 | C12 | H10 | 121.4° | 120.0° |
| C14 | C13 | C12 | C24 | 111.9° | 90.0° |
| C13 | C14 | O15 | P16 | 98.4° | 180.0° |
| C14 | C13 | H9 | H10 | 115.5° | 120.1° |
| C13 | C14 | H11 | H12 | 125.0° | 120.1° |
| O15 | C14 | C13 | C12 | 167.0° | 180.0° |
| C14 | O15 | P16 | O23 | 91.6° | 55.0° |
| C14 | O15 | P16 | O22 | 148.2° | 65.0° |
| O15 | C14 | C13 | H9 | 71.6° | 60.0° |
| O15 | C14 | C13 | H10 | 45.6° | 60.1° |
| O15 | C14 | H11 | H12 | 125.1° | 119.9° |
| C13 | C12 | C24 | N05 | 178.8° | 180.0° |
| C13 | C12 | C24 | C25 | 5.5° | 0.3° |
| C12 | C13 | H9 | H10 | 115.5° | 120.0° |
| C12 | C13 | C14 | H11 | 74.8° | 60.0° |
| C12 | C13 | C14 | H12 | 48.7° | 60.0° |
| C12 | C24 | N05 | C25 | 175.5° | 179.7° |
| C12 | C24 | N05 | C04 | 176.8° | 179.7° |
| C24 | C12 | C13 | H9 | 126.7° | 150.0° |
| C24 | C12 | C13 | H10 | 9.5° | 30.0° |
| C12 | C24 | C25 | H16 | 87.7° | 95.1° |
| C12 | C24 | C25 | H17 | 152.3° | 24.9° |
| C12 | C24 | C25 | H18 | 32.3° | 144.9° |
| O15 | P16 | O23 | O22 | 116.6° | 120.0° |
| P16 | O15 | C14 | H11 | 19.9° | 60.0° |
| P16 | O15 | C14 | H12 | 143.4° | 60.0° |
| O15 | P16 | O22 | H15 | 121.3° | 60.0° |
| O23 | P16 | O22 | H15 | 0.0° | 180.0° |
| C24 | N05 | C04 | C03 | 67.9° | 85.2° |
| C24 | N05 | C04 | H3 | 50.7° | 154.8° |
| C24 | N05 | C04 | H4 | 173.6° | 34.8° |
| N05 | C24 | C25 | H16 | 87.4° | 85.2° |
| N05 | C24 | C25 | H17 | 32.6° | 154.8° |
| N05 | C24 | C25 | H18 | 152.6° | 34.8° |
| C04 | N05 | C24 | C25 | 7.7° | 0.0° |
| N05 | C04 | C03 | H3 | 118.6° | 120.0° |
| N05 | C04 | C03 | H4 | 118.6° | 120.0° |
| N05 | C04 | C03 | C02 | 48.9° | 108.9° |
| N05 | C04 | C03 | C26 | 129.8° | 71.0° |
| N05 | C04 | H3 | H4 | 124.0° | 120.0° |
| N01 | C02 | C03 | C04 | 1.0° | 0.1° |
| N01 | C02 | C03 | N30 | 179.7° | 179.8° |
| N01 | C02 | C03 | C26 | 179.7° | 180.0° |
| N01 | C02 | N30 | C28 | 179.9° | 179.7° |
| C02 | N01 | H1 | H2 | 120.0° | 179.8° |
| C24 | C25 | H16 | H17 | 120.0° | 120.0° |
| C24 | C25 | H16 | H18 | 120.0° | 120.0° |
| C24 | C25 | H17 | H18 | 120.0° | 120.0° |
| C04 | C03 | C02 | C26 | 178.8° | 180.0° |
| C04 | C03 | C02 | N30 | 179.4° | 179.8° |
| C04 | C03 | C26 | N27 | 179.3° | 180.0° |
| C03 | C04 | H3 | H4 | 124.0° | 120.0° |
| C04 | C03 | C26 | H19 | 0.7° | 0.1° |
| C03 | C02 | N30 | C28 | 0.2° | 0.5° |
| C02 | C03 | C26 | N27 | 0.6° | 0.0° |
| C03 | C02 | N01 | H1 | 179.7° | 6.4° |
| C03 | C02 | N01 | H2 | 59.7° | 173.8° |
| C02 | C03 | C04 | H3 | 167.4° | 131.1° |
| C02 | C03 | C04 | H4 | 69.7° | 11.0° |
| C02 | C03 | C26 | H19 | 179.5° | 180.0° |
| N30 | C02 | C03 | C26 | 0.6° | 0.2° |
| C02 | N30 | C28 | N27 | 0.3° | 0.5° |
| C02 | N30 | C28 | C29 | 179.9° | 179.8° |
| N30 | C02 | N01 | H1 | 0.0° | 173.8° |
| N30 | C02 | N01 | H2 | 120.0° | 6.0° |
| C03 | C26 | N27 | H19 | 180.0° | 180.0° |
| C03 | C26 | N27 | C28 | 0.1° | 0.0° |
| C26 | C03 | C04 | H3 | 11.2° | 49.0° |
| C26 | C03 | C04 | H4 | 111.6° | 169.0° |
| N30 | C28 | N27 | C26 | 0.4° | 0.3° |
| N30 | C28 | N27 | C29 | 179.7° | 179.7° |
| N30 | C28 | C29 | H20 | 0.0° | 89.7° |
| N30 | C28 | C29 | H21 | 120.0° | 30.2° |
| N30 | C28 | C29 | H22 | 120.0° | 150.3° |
| C26 | N27 | C28 | C29 | 179.9° | 180.0° |
| C28 | N27 | C26 | H19 | 179.9° | 180.0° |
| N27 | C28 | C29 | H20 | 179.8° | 90.0° |
| N27 | C28 | C29 | H21 | 59.7° | 150.0° |
| N27 | C28 | C29 | H22 | 60.3° | 30.0° |
| C28 | C29 | H20 | H21 | 120.0° | 120.0° |
| C28 | C29 | H20 | H22 | 120.0° | 120.0° |
| C28 | C29 | H21 | H22 | 120.0° | 120.0° |
| H5 | C07 | O08 | H6 | 60.4° | 180.0° |
| H5 | C07 | C09 | H7 | 140.6° | 64.2° |
| H5 | C07 | C09 | H8 | 100.5° | 175.7° |
| H9 | C13 | C14 | H11 | 46.6° | 180.0° |
| H9 | C13 | C14 | H12 | 170.1° | 59.9° |
| H10 | C13 | C14 | H11 | 163.8° | 59.9° |
| H10 | C13 | C14 | H12 | 72.7° | 180.0° |
| H16 | C25 | H17 | H18 | 120.0° | 120.0° |
| H20 | C29 | H21 | H22 | 120.0° | 120.0° |
