5TX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | N12 | sing | 1.42Å | 1.37Å | |
| N12 | C01 | sing | 1.47Å | 1.46Å | |
| N12 | C04 | sing | 1.34Å | 1.40Å | |
| O13 | C01 | sing | 1.43Å | 1.43Å | |
| O10 | C04 | doub | 1.21Å | 1.26Å | |
| C01 | C02 | sing | 1.55Å | 1.56Å | |
| C04 | C03 | sing | 1.51Å | 1.41Å | |
| O07 | P05 | doub | 1.48Å | 1.51Å | |
| C02 | C03 | sing | 1.55Å | 1.52Å | |
| C03 | P05 | sing | 1.82Å | 1.97Å | |
| C03 | C09 | sing | 1.53Å | 1.52Å | |
| O06 | P05 | sing | 1.61Å | 1.51Å | |
| P05 | O08 | sing | 1.61Å | 1.49Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| O06 | H4 | sing | 0.97Å | 0.95Å | |
| O08 | H5 | sing | 0.97Å | 0.95Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| O13 | H9 | sing | 0.97Å | 0.95Å | |
| O11 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | N12 | C01 | 120.8° | 124.3° |
| O11 | N12 | C04 | 127.9° | 124.4° |
| N12 | O11 | H10 | 109.5° | 113.9° |
| C01 | N12 | C04 | 111.3° | 111.3° |
| N12 | C01 | O13 | 104.7° | 110.3° |
| N12 | C01 | C02 | 102.2° | 105.5° |
| N12 | C01 | H1 | 114.2° | 110.3° |
| N12 | C04 | O10 | 114.8° | 124.9° |
| N12 | C04 | C03 | 111.9° | 110.1° |
| O13 | C01 | C02 | 107.2° | 110.2° |
| O13 | C01 | H1 | 114.8° | 110.2° |
| C01 | O13 | H9 | 109.5° | 114.0° |
| O10 | C04 | C03 | 133.0° | 125.0° |
| C01 | C02 | C03 | 105.3° | 101.7° |
| C02 | C01 | H1 | 112.6° | 110.3° |
| C01 | C02 | H2 | 110.5° | 110.9° |
| C01 | C02 | H3 | 110.5° | 110.9° |
| C04 | C03 | C02 | 105.0° | 104.2° |
| C04 | C03 | P05 | 105.5° | 110.4° |
| C04 | C03 | C09 | 116.3° | 110.6° |
| O07 | P05 | C03 | 100.2° | 109.5° |
| O07 | P05 | O06 | 111.9° | 109.4° |
| O07 | P05 | O08 | 111.8° | 109.5° |
| C02 | C03 | P05 | 112.9° | 110.5° |
| C02 | C03 | C09 | 112.1° | 110.5° |
| C03 | C02 | H2 | 110.5° | 111.0° |
| C03 | C02 | H3 | 110.5° | 111.0° |
| P05 | C03 | C09 | 105.1° | 110.4° |
| C03 | P05 | O06 | 107.3° | 109.5° |
| C03 | P05 | O08 | 104.4° | 109.5° |
| C03 | C09 | H6 | 109.5° | 109.5° |
| C03 | C09 | H7 | 109.4° | 109.5° |
| C03 | C09 | H8 | 109.5° | 109.5° |
| O06 | P05 | O08 | 119.1° | 109.5° |
| P05 | O06 | H4 | 109.5° | 114.0° |
| P05 | O08 | H5 | 109.5° | 114.0° |
| H2 | C02 | H3 | 109.5° | 110.9° |
| H6 | C09 | H7 | 109.5° | 109.5° |
| H6 | C09 | H8 | 109.4° | 109.5° |
| H7 | C09 | H8 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | N12 | C01 | C04 | 179.8° | 179.9° |
| O11 | N12 | C01 | O13 | 58.5° | 78.0° |
| O11 | N12 | C04 | O10 | 1.9° | 0.5° |
| O11 | N12 | C01 | C02 | 170.1° | 163.0° |
| O11 | N12 | C04 | C03 | 176.9° | 179.6° |
| O11 | N12 | C01 | H1 | 68.0° | 43.9° |
| N12 | C01 | O13 | C02 | 108.1° | 116.1° |
| N12 | C01 | O13 | H1 | 126.1° | 122.0° |
| C01 | N12 | C04 | O10 | 178.3° | 179.6° |
| N12 | C01 | C02 | H1 | 123.0° | 119.1° |
| C01 | N12 | C04 | C03 | 3.3° | 0.3° |
| N12 | C01 | C02 | C03 | 18.1° | 25.4° |
| N12 | C01 | C02 | H2 | 137.4° | 92.7° |
| N12 | C01 | C02 | H3 | 101.2° | 143.5° |
| N12 | C01 | O13 | H9 | 180.0° | 63.9° |
| C01 | N12 | O11 | H10 | 179.2° | 180.0° |
| C04 | N12 | C01 | O13 | 121.4° | 102.1° |
| N12 | C04 | O10 | C03 | 173.6° | 179.9° |
| C04 | N12 | C01 | C02 | 9.7° | 17.0° |
| N12 | C04 | C03 | C02 | 15.2° | 16.3° |
| N12 | C04 | C03 | P05 | 104.3° | 135.0° |
| N12 | C04 | C03 | C09 | 139.8° | 102.4° |
| C04 | N12 | C01 | H1 | 112.2° | 136.0° |
| C04 | N12 | O11 | H10 | 1.0° | 0.1° |
| O13 | C01 | C02 | H1 | 127.2° | 121.8° |
| O13 | C01 | C02 | C03 | 127.9° | 93.7° |
| O13 | C01 | C02 | H2 | 112.8° | 148.2° |
| O13 | C01 | C02 | H3 | 8.5° | 24.4° |
| O10 | C04 | C03 | C02 | 171.0° | 163.8° |
| O10 | C04 | C03 | P05 | 69.5° | 45.1° |
| O10 | C04 | C03 | C09 | 46.4° | 77.5° |
| C01 | C02 | C03 | C04 | 20.4° | 24.8° |
| C01 | C02 | C03 | H2 | 119.3° | 118.1° |
| C01 | C02 | C03 | H3 | 119.4° | 118.1° |
| C01 | C02 | C03 | P05 | 94.0° | 143.5° |
| C01 | C02 | C03 | C09 | 147.6° | 94.0° |
| C01 | C02 | H2 | H3 | 121.9° | 123.8° |
| C02 | C01 | O13 | H9 | 71.9° | 180.0° |
| C04 | C03 | P05 | O07 | 56.8° | 174.7° |
| C04 | C03 | C02 | P05 | 114.4° | 118.6° |
| C04 | C03 | C02 | C09 | 127.1° | 118.9° |
| C04 | C03 | P05 | C09 | 123.4° | 122.7° |
| C04 | C03 | P05 | O06 | 60.1° | 54.8° |
| C04 | C03 | P05 | O08 | 172.6° | 65.3° |
| C04 | C03 | C02 | H2 | 139.8° | 93.2° |
| C04 | C03 | C02 | H3 | 98.9° | 142.9° |
| C04 | C03 | C09 | H6 | 180.0° | 54.9° |
| C04 | C03 | C09 | H7 | 60.0° | 65.2° |
| C04 | C03 | C09 | H8 | 60.0° | 174.8° |
| O07 | P05 | C03 | C02 | 57.3° | 60.0° |
| O07 | P05 | C03 | O06 | 116.9° | 120.0° |
| O07 | P05 | C03 | O08 | 115.8° | 120.0° |
| O07 | P05 | C03 | C09 | 179.8° | 62.6° |
| O07 | P05 | O06 | O08 | 132.9° | 120.0° |
| O07 | P05 | O06 | H4 | 0.0° | 60.0° |
| O07 | P05 | O08 | H5 | 0.0° | 180.0° |
| C02 | C03 | P05 | C09 | 122.5° | 122.5° |
| C02 | C03 | P05 | O06 | 174.2° | 60.0° |
| C02 | C03 | P05 | O08 | 58.5° | 180.0° |
| C03 | C02 | C01 | H1 | 104.9° | 144.5° |
| C03 | C02 | H2 | H3 | 121.9° | 123.9° |
| C02 | C03 | C09 | H6 | 59.2° | 60.0° |
| C02 | C03 | C09 | H7 | 60.8° | 180.0° |
| C02 | C03 | C09 | H8 | 179.2° | 60.0° |
| C03 | P05 | O06 | O08 | 118.1° | 120.0° |
| P05 | C03 | C02 | H2 | 25.4° | 25.4° |
| P05 | C03 | C02 | H3 | 146.7° | 98.5° |
| C03 | P05 | O06 | H4 | 108.9° | 180.0° |
| C03 | P05 | O08 | H5 | 107.4° | 60.0° |
| P05 | C03 | C09 | H6 | 63.8° | 177.5° |
| P05 | C03 | C09 | H7 | 176.2° | 57.4° |
| P05 | C03 | C09 | H8 | 56.2° | 62.6° |
| C09 | C03 | P05 | O06 | 63.3° | 177.5° |
| C09 | C03 | P05 | O08 | 64.0° | 57.4° |
| C09 | C03 | C02 | H2 | 93.1° | 147.9° |
| C09 | C03 | C02 | H3 | 28.2° | 24.1° |
| C03 | C09 | H6 | H7 | 120.0° | 120.0° |
| C03 | C09 | H6 | H8 | 120.0° | 120.0° |
| C03 | C09 | H7 | H8 | 120.0° | 120.0° |
| O06 | P05 | O08 | H5 | 133.0° | 60.0° |
| O08 | P05 | O06 | H4 | 132.9° | 60.0° |
| H1 | C01 | C02 | H2 | 14.4° | 26.4° |
| H1 | C01 | C02 | H3 | 135.7° | 97.4° |
| H1 | C01 | O13 | H9 | 53.9° | 58.1° |
| H6 | C09 | H7 | H8 | 120.0° | 120.0° |
