M5T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O29 | C12 | sing | 1.43Å | 1.50Å | |
| O23 | P21 | doub | 1.48Å | 1.51Å | |
| C12 | C13 | sing | 1.54Å | 1.60Å | |
| C12 | C11 | sing | 1.55Å | 1.27Å | |
| C13 | C15 | sing | 1.53Å | 1.39Å | |
| C13 | O14 | sing | 1.44Å | 1.55Å | |
| C15 | O16 | sing | 1.43Å | 1.40Å | |
| O27 | P25 | doub | 1.48Å | 1.51Å | |
| O24 | P21 | sing | 1.61Å | 1.62Å | |
| O24 | P25 | sing | 1.61Å | 1.63Å | |
| O26 | P25 | sing | 1.61Å | 1.50Å | |
| O20 | P21 | sing | 1.61Å | 1.63Å | |
| O20 | P17 | sing | 1.61Å | 1.63Å | |
| P21 | O22 | sing | 1.61Å | 1.50Å | |
| P25 | O28 | sing | 1.61Å | 1.51Å | |
| O16 | P17 | sing | 1.61Å | 1.64Å | |
| C11 | O30 | sing | 1.43Å | 1.46Å | |
| C11 | C10 | sing | 1.55Å | 1.67Å | |
| O14 | C10 | sing | 1.44Å | 1.31Å | |
| P17 | O18 | doub | 1.48Å | 1.50Å | |
| P17 | O19 | sing | 1.61Å | 1.50Å | |
| C10 | N04 | sing | 1.46Å | 1.43Å | |
| N04 | C03 | sing | 1.37Å | 1.32Å | |
| N04 | C05 | sing | 1.35Å | 1.33Å | |
| O06 | C05 | doub | 1.22Å | 1.18Å | |
| C03 | C02 | doub | 1.35Å | 1.38Å | |
| C05 | N07 | sing | 1.35Å | 1.33Å | |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C02 | C08 | sing | 1.42Å | 1.40Å | |
| N07 | C08 | sing | 1.35Å | 1.33Å | |
| C08 | O09 | doub | 1.22Å | 1.19Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.08Å | 1.08Å | |
| N07 | H11 | sing | 0.97Å | 1.00Å | |
| O19 | H12 | sing | 0.97Å | 0.95Å | |
| O22 | H13 | sing | 0.97Å | 0.95Å | |
| O26 | H14 | sing | 0.97Å | 0.95Å | |
| O28 | H15 | sing | 0.97Å | 0.95Å | |
| O29 | H16 | sing | 0.97Å | 0.95Å | |
| O30 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O29 | C12 | C13 | 108.0° | 110.5° |
| O29 | C12 | C11 | 109.1° | 110.6° |
| O29 | C12 | H5 | 110.2° | 110.5° |
| C12 | O29 | H16 | 109.5° | 114.0° |
| O23 | P21 | O24 | 109.6° | 109.5° |
| O23 | P21 | O20 | 105.4° | 109.5° |
| O23 | P21 | O22 | 113.7° | 109.5° |
| C13 | C12 | C11 | 106.5° | 104.2° |
| C12 | C13 | C15 | 115.1° | 109.9° |
| C12 | C13 | O14 | 102.9° | 107.4° |
| C13 | C12 | H5 | 108.9° | 110.5° |
| C12 | C13 | H6 | 108.2° | 109.9° |
| C12 | C11 | O30 | 112.6° | 110.9° |
| C12 | C11 | C10 | 104.3° | 102.1° |
| C12 | C11 | H4 | 112.9° | 110.9° |
| C11 | C12 | H5 | 114.0° | 110.4° |
| C15 | C13 | O14 | 110.5° | 110.0° |
| C13 | C15 | O16 | 107.3° | 109.5° |
| C13 | C15 | H1 | 110.0° | 109.5° |
| C13 | C15 | H2 | 110.0° | 109.5° |
| C15 | C13 | H6 | 111.0° | 109.9° |
| C13 | O14 | C10 | 108.3° | 107.0° |
| O14 | C13 | H6 | 108.8° | 109.8° |
| C15 | O16 | P17 | 122.9° | 123.0° |
| O16 | C15 | H1 | 110.0° | 109.4° |
| O16 | C15 | H2 | 110.0° | 109.4° |
| O27 | P25 | O24 | 110.3° | 109.5° |
| O27 | P25 | O26 | 108.4° | 109.4° |
| O27 | P25 | O28 | 111.3° | 109.5° |
| P21 | O24 | P25 | 127.4° | 133.9° |
| O24 | P21 | O20 | 101.7° | 109.4° |
| O24 | P21 | O22 | 114.3° | 109.5° |
| O24 | P25 | O26 | 105.1° | 109.4° |
| O24 | P25 | O28 | 108.9° | 109.5° |
| O26 | P25 | O28 | 112.7° | 109.5° |
| P25 | O26 | H14 | 109.5° | 114.0° |
| P21 | O20 | P17 | 127.6° | 134.0° |
| O20 | P21 | O22 | 111.1° | 109.5° |
| O20 | P17 | O16 | 104.3° | 109.5° |
| O20 | P17 | O18 | 108.2° | 109.5° |
| O20 | P17 | O19 | 112.4° | 109.5° |
| P21 | O22 | H13 | 109.5° | 114.0° |
| P25 | O28 | H15 | 109.5° | 114.0° |
| O16 | P17 | O18 | 110.6° | 109.4° |
| O16 | P17 | O19 | 106.4° | 109.5° |
| O30 | C11 | C10 | 109.7° | 110.9° |
| O30 | C11 | H4 | 109.8° | 110.8° |
| C11 | O30 | H17 | 109.5° | 114.0° |
| C11 | C10 | O14 | 105.6° | 103.6° |
| C11 | C10 | N04 | 112.9° | 110.6° |
| C11 | C10 | H3 | 107.2° | 110.6° |
| C10 | C11 | H4 | 107.2° | 110.9° |
| O14 | C10 | N04 | 108.9° | 110.7° |
| O14 | C10 | H3 | 112.1° | 110.6° |
| O18 | P17 | O19 | 114.6° | 109.5° |
| P17 | O19 | H12 | 109.5° | 114.0° |
| C10 | N04 | C03 | 117.4° | 119.7° |
| C10 | N04 | C05 | 122.2° | 119.7° |
| N04 | C10 | H3 | 110.1° | 110.6° |
| C03 | N04 | C05 | 120.4° | 120.6° |
| N04 | C03 | C02 | 120.4° | 119.7° |
| N04 | C03 | H10 | 119.8° | 120.1° |
| N04 | C05 | O06 | 120.1° | 119.6° |
| N04 | C05 | N07 | 121.5° | 120.9° |
| O06 | C05 | N07 | 118.4° | 119.5° |
| C03 | C02 | C01 | 119.4° | 120.5° |
| C03 | C02 | C08 | 117.5° | 119.0° |
| C02 | C03 | H10 | 119.8° | 120.1° |
| C05 | N07 | C08 | 120.3° | 120.3° |
| C05 | N07 | H11 | 119.8° | 119.8° |
| C01 | C02 | C08 | 123.0° | 120.5° |
| C02 | C01 | H7 | 109.5° | 109.4° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C08 | N07 | 119.8° | 119.4° |
| C02 | C08 | O09 | 120.3° | 120.2° |
| N07 | C08 | O09 | 119.8° | 120.3° |
| C08 | N07 | H11 | 119.8° | 119.9° |
| H1 | C15 | H2 | 109.5° | 109.5° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H9 | 109.5° | 109.4° |
| H8 | C01 | H9 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O29 | C12 | C13 | C11 | 117.0° | 118.8° |
| O29 | C12 | C13 | H5 | 119.7° | 122.7° |
| O29 | C12 | C11 | H5 | 123.6° | 122.7° |
| O29 | C12 | C13 | C15 | 145.5° | 119.7° |
| O29 | C12 | C13 | O14 | 94.2° | 120.7° |
| O29 | C12 | C11 | O30 | 35.5° | 20.4° |
| O29 | C12 | C11 | C10 | 83.4° | 97.8° |
| O29 | C12 | C11 | H4 | 160.5° | 143.9° |
| O29 | C12 | C13 | H6 | 20.8° | 1.3° |
| O23 | P21 | O24 | O20 | 111.2° | 120.0° |
| O23 | P21 | O24 | O22 | 129.0° | 120.0° |
| O23 | P21 | O24 | P25 | 100.5° | 40.0° |
| O23 | P21 | O20 | O22 | 123.6° | 120.0° |
| O23 | P21 | O20 | P17 | 127.0° | 45.1° |
| O23 | P21 | O22 | H13 | 0.0° | 180.0° |
| C13 | C12 | C11 | H5 | 120.1° | 118.6° |
| C12 | C13 | C15 | O14 | 116.0° | 118.0° |
| C12 | C13 | C15 | H6 | 123.2° | 121.0° |
| C12 | C13 | O14 | H6 | 114.6° | 119.4° |
| C12 | C13 | C15 | O16 | 47.3° | 175.0° |
| C13 | C12 | C11 | O30 | 151.8° | 139.1° |
| C13 | C12 | C11 | C10 | 32.9° | 20.9° |
| C12 | C13 | O14 | C10 | 1.6° | 26.3° |
| C12 | C13 | C15 | H1 | 167.0° | 55.0° |
| C12 | C13 | C15 | H2 | 72.3° | 65.0° |
| C13 | C12 | C11 | H4 | 83.2° | 97.4° |
| C13 | C12 | O29 | H16 | 180.0° | 179.9° |
| C11 | C12 | C13 | C15 | 97.5° | 121.5° |
| C11 | C12 | C13 | O14 | 22.8° | 1.9° |
| C12 | C11 | O30 | C10 | 115.7° | 112.7° |
| C12 | C11 | O30 | H4 | 126.7° | 123.7° |
| C12 | C11 | C10 | H4 | 119.9° | 118.3° |
| C12 | C11 | C10 | O14 | 35.8° | 36.9° |
| C12 | C11 | C10 | N04 | 154.7° | 155.5° |
| C12 | C11 | C10 | H3 | 83.9° | 81.6° |
| C11 | C12 | C13 | H6 | 137.8° | 117.5° |
| C11 | C12 | O29 | H16 | 64.7° | 65.2° |
| C12 | C11 | O30 | H17 | 180.0° | 67.2° |
| C15 | C13 | O14 | H6 | 122.1° | 121.1° |
| C13 | C15 | O16 | H1 | 119.6° | 120.0° |
| C13 | C15 | O16 | H2 | 119.7° | 120.0° |
| C13 | C15 | O16 | P17 | 160.7° | 180.0° |
| C15 | C13 | O14 | C10 | 125.0° | 145.8° |
| C13 | C15 | H1 | H2 | 121.1° | 120.1° |
| C15 | C13 | C12 | H5 | 25.8° | 2.9° |
| O14 | C13 | C15 | O16 | 68.7° | 67.0° |
| C13 | O14 | C10 | C11 | 19.4° | 39.8° |
| C13 | O14 | C10 | N04 | 140.9° | 158.4° |
| O14 | C13 | C15 | H1 | 51.0° | 173.0° |
| O14 | C13 | C15 | H2 | 171.7° | 52.9° |
| C13 | O14 | C10 | H3 | 97.0° | 78.7° |
| O14 | C13 | C12 | H5 | 146.1° | 116.6° |
| C15 | O16 | P17 | O20 | 71.4° | 175.0° |
| C15 | O16 | P17 | O18 | 44.7° | 55.0° |
| C15 | O16 | P17 | O19 | 169.7° | 65.0° |
| O16 | C15 | H1 | H2 | 121.0° | 119.9° |
| O16 | C15 | C13 | H6 | 170.6° | 54.0° |
| O27 | P25 | O24 | P21 | 81.0° | 40.0° |
| O27 | P25 | O24 | O26 | 116.6° | 119.9° |
| O27 | P25 | O24 | O28 | 122.4° | 120.1° |
| O27 | P25 | O26 | O28 | 123.7° | 120.0° |
| O27 | P25 | O26 | H14 | 0.0° | 60.0° |
| O27 | P25 | O28 | H15 | 0.0° | 180.0° |
| P21 | O24 | P25 | O26 | 162.3° | 160.0° |
| O24 | P21 | O20 | O22 | 122.0° | 120.0° |
| O24 | P21 | O20 | P17 | 118.6° | 165.1° |
| P21 | O24 | P25 | O28 | 41.4° | 80.0° |
| O24 | P21 | O22 | H13 | 126.9° | 59.9° |
| O24 | P25 | O26 | O28 | 118.4° | 120.0° |
| P25 | O24 | P21 | O20 | 148.3° | 160.0° |
| P25 | O24 | P21 | O22 | 28.5° | 80.0° |
| O24 | P25 | O26 | H14 | 117.9° | 180.0° |
| O24 | P25 | O28 | H15 | 121.8° | 60.0° |
| O26 | P25 | O28 | H15 | 122.1° | 60.0° |
| P21 | O20 | P17 | O16 | 167.6° | 160.0° |
| P21 | O20 | P17 | O18 | 74.7° | 40.1° |
| P21 | O20 | P17 | O19 | 52.7° | 79.9° |
| O20 | P21 | O22 | H13 | 118.7° | 60.0° |
| P17 | O20 | P21 | O22 | 3.4° | 74.9° |
| O20 | P17 | O16 | O18 | 116.1° | 120.0° |
| O20 | P17 | O16 | O19 | 119.0° | 120.1° |
| O20 | P17 | O18 | O19 | 126.2° | 120.1° |
| O20 | P17 | O19 | H12 | 124.0° | 60.0° |
| O28 | P25 | O26 | H14 | 123.7° | 60.0° |
| O16 | P17 | O18 | O19 | 120.2° | 120.0° |
| P17 | O16 | C15 | H1 | 41.0° | 60.0° |
| P17 | O16 | C15 | H2 | 79.7° | 60.0° |
| O16 | P17 | O19 | H12 | 122.5° | 60.0° |
| O30 | C11 | C10 | H4 | 119.2° | 123.5° |
| O30 | C11 | C10 | O14 | 156.6° | 155.1° |
| O30 | C11 | C10 | N04 | 84.5° | 86.3° |
| O30 | C11 | C10 | H3 | 36.9° | 36.6° |
| O30 | C11 | C12 | H5 | 88.1° | 102.3° |
| C11 | C10 | O14 | N04 | 121.5° | 118.6° |
| C11 | C10 | O14 | H3 | 116.4° | 118.6° |
| C11 | C10 | N04 | H3 | 119.7° | 122.9° |
| C11 | C10 | N04 | C03 | 67.0° | 117.2° |
| C11 | C10 | N04 | C05 | 114.9° | 62.8° |
| C10 | C11 | C12 | H5 | 153.0° | 139.5° |
| C10 | C11 | O30 | H17 | 64.3° | 180.0° |
| O14 | C10 | N04 | H3 | 123.3° | 122.9° |
| O14 | C10 | N04 | C03 | 50.0° | 128.6° |
| O14 | C10 | N04 | C05 | 128.1° | 51.4° |
| O14 | C10 | C11 | H4 | 84.2° | 81.3° |
| C10 | O14 | C13 | H6 | 113.0° | 93.2° |
| O18 | P17 | O19 | H12 | 0.0° | 180.0° |
| C10 | N04 | C03 | C05 | 178.2° | 180.0° |
| C10 | N04 | C05 | O06 | 1.5° | 0.0° |
| C10 | N04 | C03 | C02 | 178.6° | 180.0° |
| C10 | N04 | C05 | N07 | 178.7° | 180.0° |
| N04 | C10 | C11 | H4 | 34.7° | 37.3° |
| C10 | N04 | C03 | H10 | 1.4° | 0.0° |
| C03 | N04 | C05 | O06 | 179.6° | 180.0° |
| N04 | C03 | C02 | H10 | 180.0° | 180.0° |
| C03 | N04 | C05 | N07 | 0.6° | 0.0° |
| N04 | C03 | C02 | C01 | 179.5° | 180.0° |
| N04 | C03 | C02 | C08 | 0.1° | 0.3° |
| C03 | N04 | C10 | H3 | 173.3° | 5.7° |
| N04 | C05 | O06 | N07 | 179.8° | 180.0° |
| C05 | N04 | C03 | C02 | 0.5° | 0.0° |
| N04 | C05 | N07 | C08 | 0.2° | 0.3° |
| C05 | N04 | C10 | H3 | 4.8° | 174.3° |
| C05 | N04 | C03 | H10 | 179.5° | 179.9° |
| N04 | C05 | N07 | H11 | 179.8° | 180.0° |
| O06 | C05 | N07 | C08 | 180.0° | 179.7° |
| O06 | C05 | N07 | H11 | 0.0° | 0.0° |
| C03 | C02 | C01 | C08 | 179.4° | 179.7° |
| C03 | C02 | C08 | N07 | 0.5° | 0.6° |
| C03 | C02 | C08 | O09 | 179.8° | 179.7° |
| C03 | C02 | C01 | H7 | 180.0° | 179.7° |
| C03 | C02 | C01 | H8 | 60.0° | 59.7° |
| C03 | C02 | C01 | H9 | 60.0° | 60.3° |
| C05 | N07 | C08 | C02 | 0.3° | 0.6° |
| C05 | N07 | C08 | H11 | 180.0° | 179.7° |
| C05 | N07 | C08 | O09 | 179.6° | 179.7° |
| C01 | C02 | C08 | N07 | 179.9° | 179.7° |
| C01 | C02 | C08 | O09 | 0.8° | 0.1° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H9 | 120.0° | 120.0° |
| C02 | C01 | H8 | H9 | 120.0° | 120.1° |
| C01 | C02 | C03 | H10 | 0.5° | 0.0° |
| C02 | C08 | N07 | O09 | 179.3° | 179.8° |
| C08 | C02 | C01 | H7 | 0.5° | 0.0° |
| C08 | C02 | C01 | H8 | 120.6° | 120.0° |
| C08 | C02 | C01 | H9 | 119.5° | 119.9° |
| C08 | C02 | C03 | H10 | 179.9° | 179.8° |
| C02 | C08 | N07 | H11 | 179.7° | 179.7° |
| O09 | C08 | N07 | H11 | 0.4° | 0.0° |
| H1 | C15 | C13 | H6 | 69.8° | 66.0° |
| H2 | C15 | C13 | H6 | 50.9° | 174.0° |
| H3 | C10 | C11 | H4 | 156.1° | 160.1° |
| H4 | C11 | C12 | H5 | 36.9° | 21.3° |
| H4 | C11 | O30 | H17 | 53.3° | 56.4° |
| H5 | C12 | C13 | H6 | 98.9° | 123.9° |
| H5 | C12 | O29 | H16 | 61.1° | 57.4° |
| H7 | C01 | H8 | H9 | 120.0° | 120.0° |
