5UG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5B | P1A | doub | 1.48Å | 1.63Å | |
| C2P | S1P | sing | 1.81Å | 1.80Å | |
| C2P | C3P | sing | 1.53Å | 1.54Å | |
| O1A | P1A | sing | 1.61Å | 1.51Å | |
| N4P | C3P | sing | 1.47Å | 1.48Å | |
| N4P | C5P | sing | 1.35Å | 1.33Å | |
| N8P | C7P | sing | 1.47Å | 1.44Å | |
| N8P | C9P | sing | 1.35Å | 1.33Å | |
| C7P | C6P | sing | 1.53Å | 1.51Å | |
| C6P | C5P | sing | 1.51Å | 1.51Å | |
| P1A | O3A | sing | 1.61Å | 1.63Å | |
| P1A | O2A | sing | 1.61Å | 1.52Å | |
| CDP | CBP | sing | 1.53Å | 1.53Å | |
| C5P | O5P | doub | 1.21Å | 1.25Å | |
| CAP | OAP | sing | 1.43Å | 1.43Å | |
| CAP | C9P | sing | 1.51Å | 1.50Å | |
| CAP | CBP | sing | 1.53Å | 1.54Å | |
| CCP | CBP | sing | 1.53Å | 1.51Å | |
| CCP | O6A | sing | 1.43Å | 1.42Å | |
| O3A | P2A | sing | 1.61Å | 1.64Å | |
| C9P | O9P | doub | 1.21Å | 1.24Å | |
| CBP | CEP | sing | 1.53Å | 1.56Å | |
| O6A | P2A | sing | 1.61Å | 1.64Å | |
| P2A | O4A | doub | 1.48Å | 1.53Å | |
| P2A | O5A | sing | 1.61Å | 1.52Å | |
| N4P | H1 | sing | 0.97Å | 1.00Å | |
| C3P | H2 | sing | 1.09Å | 1.10Å | |
| C3P | H3 | sing | 1.09Å | 1.10Å | |
| C2P | H4 | sing | 1.09Å | 1.10Å | |
| C2P | H5 | sing | 1.09Å | 1.10Å | |
| S1P | H6 | sing | 1.35Å | 1.30Å | |
| C6P | H7 | sing | 1.09Å | 1.10Å | |
| C6P | H8 | sing | 1.09Å | 1.10Å | |
| C7P | H9 | sing | 1.09Å | 1.10Å | |
| C7P | H10 | sing | 1.09Å | 1.10Å | |
| N8P | H11 | sing | 0.97Å | 1.00Å | |
| CAP | H12 | sing | 1.09Å | 1.10Å | |
| OAP | H13 | sing | 0.97Å | 0.95Å | |
| CDP | H14 | sing | 1.09Å | 1.10Å | |
| CDP | H15 | sing | 1.09Å | 1.10Å | |
| CDP | H16 | sing | 1.09Å | 1.10Å | |
| CEP | H17 | sing | 1.09Å | 1.10Å | |
| CEP | H18 | sing | 1.09Å | 1.10Å | |
| CEP | H19 | sing | 1.09Å | 1.10Å | |
| CCP | H20 | sing | 1.09Å | 1.10Å | |
| CCP | H21 | sing | 1.09Å | 1.10Å | |
| O5A | H22 | sing | 0.97Å | 0.95Å | |
| O1A | H23 | sing | 0.97Å | 0.95Å | |
| O2A | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5B | P1A | O1A | 108.7° | 109.5° |
| O5B | P1A | O3A | 100.6° | 109.5° |
| O5B | P1A | O2A | 109.0° | 109.5° |
| S1P | C2P | C3P | 116.7° | 109.5° |
| S1P | C2P | H4 | 107.6° | 109.5° |
| S1P | C2P | H5 | 107.6° | 109.5° |
| C2P | S1P | H6 | 102.0° | 103.0° |
| C2P | C3P | N4P | 106.2° | 109.5° |
| C2P | C3P | H2 | 110.2° | 109.5° |
| C2P | C3P | H3 | 110.3° | 109.5° |
| C3P | C2P | H4 | 107.7° | 109.5° |
| C3P | C2P | H5 | 107.6° | 109.4° |
| O1A | P1A | O3A | 112.1° | 109.5° |
| O1A | P1A | O2A | 116.9° | 109.5° |
| P1A | O1A | H23 | 109.5° | 113.9° |
| C3P | N4P | C5P | 119.1° | 120.0° |
| C3P | N4P | H1 | 120.5° | 120.0° |
| N4P | C3P | H2 | 110.3° | 109.4° |
| N4P | C3P | H3 | 110.3° | 109.5° |
| N4P | C5P | C6P | 118.4° | 120.0° |
| N4P | C5P | O5P | 123.4° | 120.0° |
| C5P | N4P | H1 | 120.4° | 120.0° |
| C7P | N8P | C9P | 122.7° | 120.0° |
| N8P | C7P | C6P | 112.3° | 109.5° |
| N8P | C7P | H9 | 108.8° | 109.5° |
| N8P | C7P | H10 | 108.8° | 109.4° |
| C7P | N8P | H11 | 118.6° | 120.0° |
| N8P | C9P | CAP | 111.0° | 120.0° |
| N8P | C9P | O9P | 121.0° | 120.0° |
| C9P | N8P | H11 | 118.6° | 120.0° |
| C7P | C6P | C5P | 108.3° | 109.5° |
| C7P | C6P | H7 | 109.8° | 109.5° |
| C7P | C6P | H8 | 109.7° | 109.5° |
| C6P | C7P | H9 | 108.8° | 109.4° |
| C6P | C7P | H10 | 108.8° | 109.4° |
| C6P | C5P | O5P | 118.2° | 120.0° |
| C5P | C6P | H7 | 109.8° | 109.5° |
| C5P | C6P | H8 | 109.8° | 109.5° |
| O3A | P1A | O2A | 108.3° | 109.5° |
| P1A | O3A | P2A | 133.1° | 134.0° |
| P1A | O2A | H24 | 109.5° | 114.0° |
| CDP | CBP | CAP | 104.7° | 109.5° |
| CDP | CBP | CCP | 105.3° | 109.5° |
| CDP | CBP | CEP | 112.6° | 109.5° |
| CBP | CDP | H14 | 109.5° | 109.5° |
| CBP | CDP | H15 | 109.5° | 109.5° |
| CBP | CDP | H16 | 109.5° | 109.4° |
| OAP | CAP | C9P | 114.4° | 109.5° |
| OAP | CAP | CBP | 112.2° | 109.5° |
| OAP | CAP | H12 | 106.0° | 109.4° |
| CAP | OAP | H13 | 109.5° | 114.0° |
| C9P | CAP | CBP | 113.2° | 109.5° |
| CAP | C9P | O9P | 128.0° | 120.0° |
| C9P | CAP | H12 | 105.2° | 109.5° |
| CAP | CBP | CCP | 108.2° | 109.5° |
| CAP | CBP | CEP | 114.7° | 109.4° |
| CBP | CAP | H12 | 104.8° | 109.5° |
| CBP | CCP | O6A | 110.9° | 109.5° |
| CCP | CBP | CEP | 110.8° | 109.5° |
| CBP | CCP | H20 | 109.1° | 109.5° |
| CBP | CCP | H21 | 109.1° | 109.5° |
| CCP | O6A | P2A | 120.6° | 123.0° |
| O6A | CCP | H20 | 109.1° | 109.5° |
| O6A | CCP | H21 | 109.1° | 109.4° |
| O3A | P2A | O6A | 96.5° | 109.5° |
| O3A | P2A | O4A | 113.8° | 109.4° |
| O3A | P2A | O5A | 108.9° | 109.5° |
| CBP | CEP | H17 | 109.5° | 109.4° |
| CBP | CEP | H18 | 109.5° | 109.5° |
| CBP | CEP | H19 | 109.4° | 109.5° |
| O6A | P2A | O4A | 111.5° | 109.5° |
| O6A | P2A | O5A | 107.2° | 109.5° |
| O4A | P2A | O5A | 116.9° | 109.5° |
| P2A | O5A | H22 | 109.5° | 114.0° |
| H2 | C3P | H3 | 109.5° | 109.4° |
| H4 | C2P | H5 | 109.4° | 109.5° |
| H7 | C6P | H8 | 109.5° | 109.4° |
| H9 | C7P | H10 | 109.4° | 109.5° |
| H14 | CDP | H15 | 109.5° | 109.5° |
| H14 | CDP | H16 | 109.5° | 109.5° |
| H15 | CDP | H16 | 109.5° | 109.4° |
| H17 | CEP | H18 | 109.5° | 109.5° |
| H17 | CEP | H19 | 109.5° | 109.5° |
| H18 | CEP | H19 | 109.5° | 109.5° |
| H20 | CCP | H21 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5B | P1A | O1A | O3A | 110.3° | 120.0° |
| O5B | P1A | O1A | O2A | 123.9° | 120.0° |
| O5B | P1A | O3A | O2A | 114.3° | 120.0° |
| O5B | P1A | O3A | P2A | 178.2° | 40.0° |
| O5B | P1A | O1A | H23 | 0.0° | 180.0° |
| O5B | P1A | O2A | H24 | 0.0° | 59.9° |
| S1P | C2P | C3P | H4 | 121.0° | 120.0° |
| S1P | C2P | C3P | H5 | 121.1° | 120.0° |
| S1P | C2P | C3P | N4P | 174.4° | 180.0° |
| S1P | C2P | C3P | H2 | 54.9° | 60.0° |
| S1P | C2P | C3P | H3 | 66.1° | 60.0° |
| S1P | C2P | H4 | H5 | 116.7° | 120.0° |
| C2P | C3P | N4P | H2 | 119.5° | 120.0° |
| C2P | C3P | N4P | H3 | 119.5° | 120.1° |
| C2P | C3P | N4P | C5P | 73.0° | 179.9° |
| C2P | C3P | N4P | H1 | 107.0° | 0.1° |
| C2P | C3P | H2 | H3 | 121.5° | 120.0° |
| C3P | C2P | H4 | H5 | 116.7° | 119.9° |
| C3P | C2P | S1P | H6 | 180.0° | 180.0° |
| O1A | P1A | O3A | O2A | 130.4° | 120.0° |
| O1A | P1A | O3A | P2A | 66.4° | 80.0° |
| O1A | P1A | O2A | H24 | 123.7° | 60.0° |
| C3P | N4P | C5P | H1 | 180.0° | 179.9° |
| C3P | N4P | C5P | C6P | 176.9° | 179.7° |
| C3P | N4P | C5P | O5P | 1.1° | 0.1° |
| N4P | C3P | H2 | H3 | 121.5° | 120.0° |
| N4P | C3P | C2P | H4 | 64.5° | 60.0° |
| N4P | C3P | C2P | H5 | 53.4° | 59.9° |
| N4P | C5P | C6P | C7P | 139.1° | 179.8° |
| N4P | C5P | C6P | O5P | 178.1° | 179.8° |
| C5P | N4P | C3P | H2 | 167.5° | 60.1° |
| C5P | N4P | C3P | H3 | 46.4° | 59.9° |
| N4P | C5P | C6P | H7 | 101.1° | 60.2° |
| N4P | C5P | C6P | H8 | 19.3° | 59.8° |
| C7P | N8P | C9P | H11 | 180.0° | 179.9° |
| N8P | C7P | C6P | H9 | 120.4° | 120.0° |
| N8P | C7P | C6P | H10 | 120.4° | 120.0° |
| N8P | C7P | C6P | C5P | 177.1° | 180.0° |
| C7P | N8P | C9P | CAP | 178.8° | 175.0° |
| C7P | N8P | C9P | O9P | 3.5° | 5.0° |
| N8P | C7P | C6P | H7 | 57.3° | 59.9° |
| N8P | C7P | C6P | H8 | 63.1° | 60.0° |
| N8P | C7P | H9 | H10 | 118.7° | 120.0° |
| C9P | N8P | C7P | C6P | 79.6° | 180.0° |
| N8P | C9P | CAP | OAP | 111.7° | 7.1° |
| N8P | C9P | CAP | O9P | 177.5° | 180.0° |
| N8P | C9P | CAP | CBP | 118.1° | 112.9° |
| C9P | N8P | C7P | H9 | 160.0° | 60.0° |
| C9P | N8P | C7P | H10 | 40.9° | 60.1° |
| N8P | C9P | CAP | H12 | 4.2° | 127.1° |
| C7P | C6P | C5P | H7 | 119.8° | 120.1° |
| C7P | C6P | C5P | H8 | 119.8° | 120.0° |
| C7P | C6P | C5P | O5P | 42.8° | 0.0° |
| C7P | C6P | H7 | H8 | 120.5° | 120.0° |
| C6P | C7P | H9 | H10 | 118.7° | 120.0° |
| C6P | C7P | N8P | H11 | 100.4° | 0.1° |
| C6P | C5P | N4P | H1 | 3.1° | 0.1° |
| C5P | C6P | H7 | H8 | 120.6° | 120.0° |
| C5P | C6P | C7P | H9 | 62.5° | 60.0° |
| C5P | C6P | C7P | H10 | 56.7° | 60.1° |
| P1A | O3A | P2A | O6A | 142.6° | 165.0° |
| P1A | O3A | P2A | O4A | 25.6° | 45.0° |
| P1A | O3A | P2A | O5A | 106.7° | 75.0° |
| O3A | P1A | O1A | H23 | 110.3° | 60.0° |
| O3A | P1A | O2A | H24 | 108.6° | 180.0° |
| O2A | P1A | O3A | P2A | 63.9° | 160.0° |
| O2A | P1A | O1A | H23 | 123.9° | 60.0° |
| CDP | CBP | CAP | OAP | 152.6° | 65.5° |
| CDP | CBP | CAP | C9P | 76.1° | 54.5° |
| CDP | CBP | CAP | CCP | 111.9° | 120.1° |
| CDP | CBP | CAP | CEP | 123.9° | 120.0° |
| CDP | CBP | CCP | CEP | 122.0° | 120.0° |
| CDP | CBP | CCP | O6A | 178.1° | 60.0° |
| CDP | CBP | CAP | H12 | 38.0° | 174.5° |
| CBP | CDP | H14 | H15 | 120.0° | 120.0° |
| CBP | CDP | H14 | H16 | 120.0° | 120.0° |
| CBP | CDP | H15 | H16 | 120.0° | 119.9° |
| CDP | CBP | CEP | H17 | 180.0° | 173.6° |
| CDP | CBP | CEP | H18 | 60.0° | 66.4° |
| CDP | CBP | CEP | H19 | 60.0° | 53.5° |
| CDP | CBP | CCP | H20 | 61.6° | 180.0° |
| CDP | CBP | CCP | H21 | 57.9° | 60.0° |
| O5P | C5P | N4P | H1 | 178.9° | 180.0° |
| O5P | C5P | C6P | H7 | 77.0° | 120.0° |
| O5P | C5P | C6P | H8 | 162.6° | 120.0° |
| OAP | CAP | C9P | CBP | 130.2° | 120.0° |
| OAP | CAP | C9P | H12 | 115.9° | 120.0° |
| OAP | CAP | CBP | H12 | 114.6° | 119.9° |
| OAP | CAP | CBP | CCP | 40.7° | 54.5° |
| OAP | CAP | C9P | O9P | 70.8° | 172.9° |
| OAP | CAP | CBP | CEP | 83.5° | 174.5° |
| C9P | CAP | CBP | H12 | 114.1° | 120.1° |
| C9P | CAP | CBP | CCP | 172.0° | 174.5° |
| C9P | CAP | CBP | CEP | 47.8° | 65.5° |
| CAP | C9P | N8P | H11 | 1.2° | 5.1° |
| C9P | CAP | OAP | H13 | 180.0° | 60.0° |
| CAP | CBP | CCP | CEP | 126.5° | 120.0° |
| CAP | CBP | CCP | O6A | 66.6° | 180.0° |
| CBP | CAP | C9P | O9P | 59.5° | 67.1° |
| CBP | CAP | OAP | H13 | 49.3° | 60.0° |
| CAP | CBP | CDP | H14 | 180.0° | 60.0° |
| CAP | CBP | CDP | H15 | 60.0° | 180.0° |
| CAP | CBP | CDP | H16 | 60.0° | 60.1° |
| CAP | CBP | CEP | H17 | 60.5° | 53.6° |
| CAP | CBP | CEP | H18 | 59.6° | 173.6° |
| CAP | CBP | CEP | H19 | 179.5° | 66.4° |
| CAP | CBP | CCP | H20 | 173.1° | 60.0° |
| CAP | CBP | CCP | H21 | 53.6° | 60.0° |
| CBP | CCP | O6A | H20 | 120.2° | 120.0° |
| CBP | CCP | O6A | H21 | 120.3° | 120.0° |
| CBP | CCP | O6A | P2A | 133.7° | 180.0° |
| CCP | CBP | CAP | H12 | 73.9° | 65.4° |
| CCP | CBP | CDP | H14 | 66.0° | 180.0° |
| CCP | CBP | CDP | H15 | 174.0° | 60.0° |
| CCP | CBP | CDP | H16 | 54.0° | 60.0° |
| CCP | CBP | CEP | H17 | 62.4° | 66.4° |
| CCP | CBP | CEP | H18 | 177.6° | 53.6° |
| CCP | CBP | CEP | H19 | 57.6° | 173.6° |
| CBP | CCP | H20 | H21 | 119.3° | 120.0° |
| CCP | O6A | P2A | O3A | 47.2° | 175.0° |
| O6A | CCP | CBP | CEP | 59.9° | 60.0° |
| CCP | O6A | P2A | O4A | 166.0° | 55.0° |
| CCP | O6A | P2A | O5A | 64.9° | 65.0° |
| O6A | CCP | H20 | H21 | 119.3° | 120.0° |
| O3A | P2A | O6A | O4A | 118.8° | 120.0° |
| O3A | P2A | O6A | O5A | 112.1° | 120.0° |
| O3A | P2A | O4A | O5A | 128.4° | 120.0° |
| O3A | P2A | O5A | H22 | 130.7° | 60.0° |
| O9P | C9P | N8P | H11 | 176.5° | 174.9° |
| O9P | C9P | CAP | H12 | 173.3° | 52.9° |
| CEP | CBP | CAP | H12 | 161.9° | 54.6° |
| CEP | CBP | CDP | H14 | 54.8° | 60.0° |
| CEP | CBP | CDP | H15 | 65.2° | 60.0° |
| CEP | CBP | CDP | H16 | 174.8° | 180.0° |
| CBP | CEP | H17 | H18 | 120.0° | 120.0° |
| CBP | CEP | H17 | H19 | 120.0° | 120.0° |
| CBP | CEP | H18 | H19 | 120.0° | 120.0° |
| CEP | CBP | CCP | H20 | 60.4° | 60.0° |
| CEP | CBP | CCP | H21 | 179.9° | 180.0° |
| O6A | P2A | O4A | O5A | 123.8° | 120.0° |
| P2A | O6A | CCP | H20 | 13.5° | 60.0° |
| P2A | O6A | CCP | H21 | 106.0° | 60.0° |
| O6A | P2A | O5A | H22 | 125.9° | 60.0° |
| O4A | P2A | O5A | H22 | 0.0° | 180.0° |
| H1 | N4P | C3P | H2 | 12.5° | 120.1° |
| H1 | N4P | C3P | H3 | 133.5° | 120.0° |
| H2 | C3P | C2P | H4 | 176.0° | 180.0° |
| H2 | C3P | C2P | H5 | 66.1° | 60.0° |
| H3 | C3P | C2P | H4 | 55.0° | 60.0° |
| H3 | C3P | C2P | H5 | 172.9° | 180.0° |
| H4 | C2P | S1P | H6 | 58.9° | 60.0° |
| H5 | C2P | S1P | H6 | 58.9° | 60.0° |
| H7 | C6P | C7P | H9 | 177.7° | 179.9° |
| H7 | C6P | C7P | H10 | 63.2° | 60.0° |
| H8 | C6P | C7P | H9 | 57.3° | 60.0° |
| H8 | C6P | C7P | H10 | 176.5° | 180.0° |
| H9 | C7P | N8P | H11 | 20.0° | 119.9° |
| H10 | C7P | N8P | H11 | 139.1° | 120.0° |
| H12 | CAP | OAP | H13 | 64.6° | 180.0° |
| H14 | CDP | H15 | H16 | 120.0° | 120.0° |
| H17 | CEP | H18 | H19 | 120.0° | 120.1° |
