J79
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O24 | P21 | doub | 1.48Å | 1.51Å | |
| O22 | P21 | sing | 1.61Å | 1.52Å | |
| O08 | C07 | doub | 1.21Å | 1.26Å | |
| C06 | C05 | sing | 1.53Å | 1.55Å | |
| P21 | O20 | sing | 1.61Å | 1.66Å | |
| P21 | O23 | sing | 1.61Å | 1.50Å | |
| C07 | C05 | sing | 1.51Å | 1.52Å | |
| C07 | O09 | sing | 1.34Å | 1.24Å | |
| O04 | C05 | sing | 1.43Å | 1.41Å | |
| O04 | C03 | sing | 1.43Å | 1.47Å | |
| O01 | C02 | sing | 1.43Å | 1.44Å | |
| O20 | C19 | sing | 1.43Å | 1.41Å | |
| C02 | C03 | sing | 1.53Å | 1.49Å | |
| C02 | C18 | sing | 1.53Å | 1.52Å | |
| O14 | C12 | doub | 1.21Å | 1.18Å | |
| C03 | C10 | sing | 1.53Å | 1.49Å | |
| C19 | C18 | sing | 1.53Å | 1.50Å | |
| C10 | N11 | sing | 1.47Å | 1.48Å | |
| C10 | C15 | sing | 1.53Å | 1.51Å | |
| C12 | N11 | sing | 1.35Å | 1.45Å | |
| C12 | C13 | sing | 1.51Å | 1.55Å | |
| C18 | O17 | sing | 1.43Å | 1.46Å | |
| O17 | C15 | sing | 1.43Å | 1.47Å | |
| C15 | O16 | sing | 1.43Å | 1.37Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| N11 | H15 | sing | 0.97Å | 1.00Å | |
| O01 | H16 | sing | 0.97Å | 0.95Å | |
| O09 | H17 | sing | 0.97Å | 0.95Å | |
| O16 | H18 | sing | 0.97Å | 0.95Å | |
| O22 | H19 | sing | 0.97Å | 0.95Å | |
| O23 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O24 | P21 | O22 | 112.9° | 109.5° |
| O24 | P21 | O20 | 104.5° | 109.5° |
| O24 | P21 | O23 | 113.2° | 109.5° |
| O22 | P21 | O20 | 107.3° | 109.5° |
| O22 | P21 | O23 | 111.3° | 109.5° |
| P21 | O22 | H19 | 109.5° | 114.0° |
| O08 | C07 | C05 | 119.7° | 120.0° |
| O08 | C07 | O09 | 120.3° | 120.0° |
| C06 | C05 | C07 | 112.9° | 109.5° |
| C06 | C05 | O04 | 108.5° | 109.5° |
| C06 | C05 | H3 | 108.7° | 109.5° |
| C05 | C06 | H4 | 109.5° | 109.5° |
| C05 | C06 | H5 | 109.5° | 109.5° |
| C05 | C06 | H6 | 109.5° | 109.5° |
| O20 | P21 | O23 | 107.2° | 109.5° |
| P21 | O20 | C19 | 117.0° | 123.0° |
| P21 | O23 | H20 | 109.5° | 114.0° |
| C05 | C07 | O09 | 120.0° | 120.0° |
| C07 | C05 | O04 | 107.0° | 109.5° |
| C07 | C05 | H3 | 109.2° | 109.5° |
| C07 | O09 | H17 | 109.5° | 117.0° |
| C05 | O04 | C03 | 113.6° | 114.0° |
| O04 | C05 | H3 | 110.6° | 109.4° |
| O04 | C03 | C02 | 108.4° | 109.6° |
| O04 | C03 | C10 | 108.9° | 109.5° |
| O04 | C03 | H2 | 109.5° | 109.7° |
| O01 | C02 | C03 | 109.6° | 109.5° |
| O01 | C02 | C18 | 108.7° | 109.5° |
| O01 | C02 | H1 | 110.6° | 109.6° |
| C02 | O01 | H16 | 109.5° | 113.9° |
| O20 | C19 | C18 | 108.0° | 109.5° |
| O20 | C19 | H13 | 109.8° | 109.5° |
| O20 | C19 | H14 | 109.8° | 109.5° |
| C03 | C02 | C18 | 108.7° | 109.2° |
| C02 | C03 | C10 | 111.7° | 109.0° |
| C03 | C02 | H1 | 109.9° | 109.6° |
| C02 | C03 | H2 | 109.2° | 109.5° |
| C02 | C18 | C19 | 110.8° | 109.5° |
| C02 | C18 | O17 | 110.2° | 109.4° |
| C18 | C02 | H1 | 109.4° | 109.5° |
| C02 | C18 | H12 | 109.4° | 109.5° |
| O14 | C12 | N11 | 120.8° | 120.0° |
| O14 | C12 | C13 | 121.8° | 120.0° |
| C03 | C10 | N11 | 110.2° | 109.5° |
| C03 | C10 | C15 | 111.5° | 109.2° |
| C10 | C03 | H2 | 109.1° | 109.5° |
| C03 | C10 | H7 | 109.3° | 109.5° |
| C19 | C18 | O17 | 106.7° | 109.4° |
| C19 | C18 | H12 | 109.6° | 109.5° |
| C18 | C19 | H13 | 109.8° | 109.4° |
| C18 | C19 | H14 | 109.9° | 109.5° |
| N11 | C10 | C15 | 107.2° | 109.5° |
| C10 | N11 | C12 | 120.3° | 120.0° |
| N11 | C10 | H7 | 109.4° | 109.5° |
| C10 | N11 | H15 | 119.9° | 120.0° |
| C10 | C15 | O17 | 106.9° | 109.4° |
| C10 | C15 | O16 | 111.8° | 109.5° |
| C15 | C10 | H7 | 109.1° | 109.5° |
| C10 | C15 | H11 | 109.9° | 109.4° |
| N11 | C12 | C13 | 117.4° | 120.0° |
| C12 | N11 | H15 | 119.8° | 120.0° |
| C12 | C13 | H8 | 109.5° | 109.4° |
| C12 | C13 | H9 | 109.5° | 109.5° |
| C12 | C13 | H10 | 109.4° | 109.5° |
| C18 | O17 | C15 | 111.1° | 114.1° |
| O17 | C18 | H12 | 110.2° | 109.5° |
| O17 | C15 | O16 | 105.6° | 109.5° |
| O17 | C15 | H11 | 110.5° | 109.5° |
| O16 | C15 | H11 | 112.0° | 109.5° |
| C15 | O16 | H18 | 109.5° | 114.0° |
| H4 | C06 | H5 | 109.5° | 109.4° |
| H4 | C06 | H6 | 109.4° | 109.5° |
| H5 | C06 | H6 | 109.5° | 109.4° |
| H8 | C13 | H9 | 109.4° | 109.4° |
| H8 | C13 | H10 | 109.5° | 109.5° |
| H9 | C13 | H10 | 109.5° | 109.5° |
| H13 | C19 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O24 | P21 | O22 | O20 | 114.6° | 120.0° |
| O24 | P21 | O22 | O23 | 128.5° | 120.0° |
| O24 | P21 | O20 | O23 | 120.3° | 120.0° |
| O24 | P21 | O20 | C19 | 172.1° | 55.0° |
| O24 | P21 | O22 | H19 | 0.0° | 180.0° |
| O24 | P21 | O23 | H20 | 0.0° | 59.9° |
| O22 | P21 | O20 | O23 | 119.6° | 120.0° |
| O22 | P21 | O20 | C19 | 67.8° | 65.0° |
| O22 | P21 | O23 | H20 | 128.3° | 60.1° |
| O08 | C07 | C05 | C06 | 77.9° | 115.0° |
| O08 | C07 | C05 | O09 | 179.8° | 180.0° |
| O08 | C07 | C05 | O04 | 41.3° | 5.0° |
| O08 | C07 | C05 | H3 | 161.1° | 125.0° |
| O08 | C07 | O09 | H17 | 0.0° | 0.0° |
| C06 | C05 | C07 | O04 | 119.2° | 120.0° |
| C06 | C05 | C07 | H3 | 121.0° | 120.0° |
| C06 | C05 | C07 | O09 | 102.3° | 65.0° |
| C06 | C05 | O04 | H3 | 119.1° | 120.0° |
| C06 | C05 | O04 | C03 | 113.2° | 89.1° |
| C05 | C06 | H4 | H5 | 120.0° | 120.0° |
| C05 | C06 | H4 | H6 | 120.0° | 120.1° |
| C05 | C06 | H5 | H6 | 120.0° | 120.0° |
| P21 | O20 | C19 | C18 | 171.8° | 180.0° |
| P21 | O20 | C19 | H13 | 52.1° | 60.0° |
| P21 | O20 | C19 | H14 | 68.4° | 60.0° |
| O20 | P21 | O22 | H19 | 114.6° | 60.0° |
| O20 | P21 | O23 | H20 | 114.7° | 179.9° |
| O23 | P21 | O20 | C19 | 51.8° | 175.0° |
| O23 | P21 | O22 | H19 | 128.5° | 60.0° |
| C07 | C05 | O04 | H3 | 118.8° | 120.0° |
| C07 | C05 | O04 | C03 | 124.7° | 150.9° |
| C07 | C05 | C06 | H4 | 180.0° | 64.8° |
| C07 | C05 | C06 | H5 | 60.0° | 175.2° |
| C07 | C05 | C06 | H6 | 60.0° | 55.3° |
| C05 | C07 | O09 | H17 | 179.9° | 180.0° |
| O09 | C07 | C05 | O04 | 138.5° | 174.9° |
| O09 | C07 | C05 | H3 | 18.7° | 55.0° |
| C05 | O04 | C03 | C02 | 119.7° | 141.6° |
| C05 | O04 | C03 | C10 | 118.6° | 98.9° |
| C05 | O04 | C03 | H2 | 0.7° | 21.4° |
| O04 | C05 | C06 | H4 | 61.6° | 55.2° |
| O04 | C05 | C06 | H5 | 178.4° | 64.8° |
| O04 | C05 | C06 | H6 | 58.4° | 175.2° |
| O04 | C03 | C02 | O01 | 67.1° | 63.3° |
| O04 | C03 | C02 | C10 | 120.0° | 119.8° |
| O04 | C03 | C02 | H2 | 119.2° | 120.3° |
| O04 | C03 | C02 | C18 | 174.3° | 176.9° |
| O04 | C03 | C10 | H2 | 119.5° | 120.3° |
| O04 | C03 | C10 | N11 | 64.7° | 63.3° |
| O04 | C03 | C10 | C15 | 176.3° | 176.8° |
| O04 | C03 | C02 | H1 | 54.5° | 56.9° |
| C03 | O04 | C05 | H3 | 5.9° | 30.9° |
| O04 | C03 | C10 | H7 | 55.6° | 56.9° |
| O01 | C02 | C03 | C18 | 118.6° | 119.8° |
| O01 | C02 | C03 | H1 | 121.7° | 120.2° |
| O01 | C02 | C18 | H1 | 120.8° | 120.2° |
| O01 | C02 | C03 | C10 | 172.9° | 176.8° |
| O01 | C02 | C18 | C19 | 65.8° | 62.6° |
| O01 | C02 | C18 | O17 | 176.4° | 177.5° |
| O01 | C02 | C03 | H2 | 52.1° | 57.0° |
| O01 | C02 | C18 | H12 | 55.1° | 57.5° |
| O20 | C19 | C18 | C02 | 58.4° | 175.0° |
| O20 | C19 | C18 | H13 | 119.8° | 120.0° |
| O20 | C19 | C18 | H14 | 119.8° | 120.0° |
| O20 | C19 | C18 | O17 | 61.5° | 65.1° |
| O20 | C19 | C18 | H12 | 179.2° | 54.9° |
| O20 | C19 | H13 | H14 | 120.7° | 120.1° |
| C03 | C02 | C18 | H1 | 120.0° | 120.0° |
| C02 | C03 | C10 | H2 | 120.8° | 119.8° |
| C03 | C02 | C18 | C19 | 175.0° | 177.6° |
| C02 | C03 | C10 | N11 | 175.6° | 176.9° |
| C02 | C03 | C10 | C15 | 56.6° | 57.0° |
| C03 | C02 | C18 | O17 | 57.2° | 57.7° |
| C02 | C03 | C10 | H7 | 64.1° | 63.0° |
| C03 | C02 | C18 | H12 | 64.0° | 62.3° |
| C03 | C02 | O01 | H16 | 180.0° | 180.0° |
| C18 | C02 | C03 | C10 | 54.2° | 57.0° |
| C02 | C18 | C19 | O17 | 119.9° | 119.9° |
| C02 | C18 | C19 | H12 | 120.8° | 120.1° |
| C02 | C18 | O17 | H12 | 120.8° | 120.0° |
| C02 | C18 | O17 | C15 | 63.1° | 61.2° |
| C18 | C02 | C03 | H2 | 66.5° | 62.8° |
| C02 | C18 | C19 | H13 | 61.4° | 55.1° |
| C02 | C18 | C19 | H14 | 178.2° | 64.9° |
| C18 | C02 | O01 | H16 | 61.4° | 60.4° |
| O14 | C12 | N11 | C10 | 0.2° | 0.0° |
| O14 | C12 | N11 | C13 | 179.8° | 179.9° |
| O14 | C12 | C13 | H8 | 0.0° | 180.0° |
| O14 | C12 | C13 | H9 | 120.0° | 60.1° |
| O14 | C12 | C13 | H10 | 120.0° | 60.0° |
| O14 | C12 | N11 | H15 | 179.8° | 180.0° |
| C03 | C10 | N11 | C15 | 121.6° | 119.7° |
| C03 | C10 | N11 | H7 | 120.2° | 120.2° |
| C03 | C10 | C15 | H7 | 120.9° | 120.0° |
| C03 | C10 | N11 | C12 | 120.9° | 149.1° |
| C03 | C10 | C15 | O17 | 58.2° | 57.6° |
| C03 | C10 | C15 | O16 | 173.2° | 177.6° |
| C10 | C03 | C02 | H1 | 65.5° | 62.9° |
| C03 | C10 | C15 | H11 | 61.8° | 62.4° |
| C03 | C10 | N11 | H15 | 59.1° | 30.8° |
| C19 | C18 | O17 | H12 | 118.9° | 120.0° |
| C19 | C18 | O17 | C15 | 176.5° | 178.9° |
| C19 | C18 | C02 | H1 | 55.0° | 57.6° |
| C18 | C19 | H13 | H14 | 120.7° | 120.0° |
| N11 | C10 | C15 | H7 | 118.4° | 120.1° |
| C10 | N11 | C12 | H15 | 180.0° | 180.0° |
| C10 | N11 | C12 | C13 | 180.0° | 180.0° |
| N11 | C10 | C15 | O17 | 178.9° | 177.5° |
| N11 | C10 | C15 | O16 | 66.0° | 62.5° |
| N11 | C10 | C03 | H2 | 54.8° | 57.1° |
| N11 | C10 | C15 | H11 | 59.0° | 57.6° |
| C15 | C10 | N11 | C12 | 117.5° | 91.1° |
| C10 | C15 | O17 | C18 | 61.9° | 61.1° |
| C10 | C15 | O17 | O16 | 119.1° | 120.0° |
| C10 | C15 | O17 | H11 | 119.6° | 119.9° |
| C10 | C15 | O16 | H11 | 123.8° | 120.0° |
| C15 | C10 | C03 | H2 | 64.2° | 62.9° |
| C15 | C10 | N11 | H15 | 62.5° | 88.9° |
| C10 | C15 | O16 | H18 | 180.0° | 179.9° |
| C12 | N11 | C10 | H7 | 0.7° | 29.0° |
| N11 | C12 | C13 | H8 | 179.8° | 0.1° |
| N11 | C12 | C13 | H9 | 59.8° | 120.0° |
| N11 | C12 | C13 | H10 | 60.2° | 120.0° |
| C12 | C13 | H8 | H9 | 120.0° | 120.0° |
| C12 | C13 | H8 | H10 | 120.0° | 120.1° |
| C12 | C13 | H9 | H10 | 120.0° | 120.1° |
| C13 | C12 | N11 | H15 | 0.0° | 0.0° |
| C18 | O17 | C15 | O16 | 179.0° | 178.8° |
| O17 | C18 | C02 | H1 | 62.8° | 62.3° |
| C18 | O17 | C15 | H11 | 57.7° | 58.8° |
| O17 | C18 | C19 | H13 | 178.7° | 174.9° |
| O17 | C18 | C19 | H14 | 58.2° | 55.0° |
| O17 | C15 | O16 | H11 | 120.3° | 120.0° |
| O17 | C15 | C10 | H7 | 62.7° | 62.4° |
| C15 | O17 | C18 | H12 | 57.6° | 58.8° |
| O17 | C15 | O16 | H18 | 64.2° | 60.1° |
| O16 | C15 | C10 | H7 | 52.3° | 57.6° |
| H1 | C02 | C03 | H2 | 173.8° | 177.3° |
| H1 | C02 | C18 | H12 | 176.0° | 177.7° |
| H1 | C02 | O01 | H16 | 58.8° | 59.8° |
| H2 | C03 | C10 | H7 | 175.0° | 177.2° |
| H3 | C05 | C06 | H4 | 58.8° | 175.2° |
| H3 | C05 | C06 | H5 | 61.2° | 55.2° |
| H3 | C05 | C06 | H6 | 178.7° | 64.8° |
| H4 | C06 | H5 | H6 | 120.0° | 120.0° |
| H7 | C10 | C15 | H11 | 177.4° | 177.7° |
| H7 | C10 | N11 | H15 | 179.3° | 151.0° |
| H8 | C13 | H9 | H10 | 120.0° | 120.0° |
| H11 | C15 | O16 | H18 | 56.1° | 60.0° |
| H12 | C18 | C19 | H13 | 59.4° | 65.0° |
| H12 | C18 | C19 | H14 | 61.0° | 175.0° |
