7D3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O30 | C29 | sing | 1.43Å | 1.41Å | |
| C29 | C12 | sing | 1.53Å | 1.58Å | |
| C13 | C12 | sing | 1.54Å | 1.40Å | |
| C13 | O14 | sing | 1.44Å | 1.47Å | |
| C13 | C15 | sing | 1.53Å | 1.51Å | |
| O22 | P21 | doub | 1.48Å | 1.51Å | |
| C12 | C11 | sing | 1.54Å | 1.48Å | |
| O14 | C11 | sing | 1.44Å | 1.41Å | |
| C15 | O16 | sing | 1.43Å | 1.38Å | |
| C11 | N10 | sing | 1.46Å | 1.40Å | |
| O16 | P17 | sing | 1.61Å | 1.58Å | |
| O19 | P17 | doub | 1.48Å | 1.49Å | |
| O23 | P21 | sing | 1.61Å | 1.54Å | |
| P21 | O24 | sing | 1.61Å | 1.63Å | |
| P21 | O20 | sing | 1.61Å | 1.60Å | |
| P17 | O20 | sing | 1.61Å | 1.63Å | |
| P17 | O18 | sing | 1.61Å | 1.48Å | |
| N10 | C03 | sing | 1.37Å | 1.38Å | Aromatic |
| N10 | C09 | sing | 1.36Å | 1.34Å | Aromatic |
| N02 | C03 | doub | 1.33Å | 1.38Å | Aromatic |
| N02 | C01 | sing | 1.32Å | 1.34Å | Aromatic |
| C03 | C04 | sing | 1.40Å | 1.40Å | Aromatic |
| C09 | N08 | doub | 1.30Å | 1.34Å | Aromatic |
| C01 | N06 | doub | 1.32Å | 1.34Å | Aromatic |
| C04 | N08 | sing | 1.36Å | 1.37Å | Aromatic |
| C04 | C05 | doub | 1.41Å | 1.43Å | Aromatic |
| N06 | C05 | sing | 1.33Å | 1.36Å | Aromatic |
| C05 | N07 | sing | 1.38Å | 1.40Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| N07 | H2 | sing | 0.97Å | 1.00Å | |
| N07 | H3 | sing | 0.97Å | 1.00Å | |
| C09 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| O18 | H10 | sing | 0.97Å | 0.95Å | |
| O23 | H11 | sing | 0.97Å | 0.95Å | |
| O24 | H12 | sing | 0.97Å | 0.95Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C29 | H14 | sing | 1.09Å | 1.10Å | |
| O30 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O30 | C29 | C12 | 114.5° | 109.5° |
| O30 | C29 | H13 | 108.2° | 109.5° |
| O30 | C29 | H14 | 108.2° | 109.5° |
| C29 | O30 | H15 | 109.5° | 114.0° |
| C29 | C12 | C13 | 112.9° | 113.9° |
| C29 | C12 | C11 | 113.9° | 113.9° |
| C29 | C12 | H6 | 111.4° | 113.0° |
| C12 | C29 | H13 | 108.2° | 109.4° |
| C12 | C29 | H14 | 108.2° | 109.4° |
| C12 | C13 | O14 | 90.2° | 85.6° |
| C12 | C13 | C15 | 112.5° | 113.9° |
| C13 | C12 | C11 | 89.8° | 85.8° |
| C13 | C12 | H6 | 114.3° | 113.8° |
| C12 | C13 | H7 | 113.7° | 113.8° |
| O14 | C13 | C15 | 114.4° | 114.0° |
| C13 | O14 | C11 | 90.0° | 93.2° |
| O14 | C13 | H7 | 112.5° | 113.7° |
| C13 | C15 | O16 | 108.9° | 109.5° |
| C15 | C13 | H7 | 111.9° | 113.1° |
| C13 | C15 | H8 | 109.6° | 109.5° |
| C13 | C15 | H9 | 109.6° | 109.5° |
| O22 | P21 | O23 | 109.0° | 109.5° |
| O22 | P21 | O24 | 111.8° | 109.5° |
| O22 | P21 | O20 | 107.5° | 109.5° |
| C12 | C11 | O14 | 89.4° | 85.7° |
| C12 | C11 | N10 | 121.3° | 113.9° |
| C12 | C11 | H5 | 110.5° | 113.9° |
| C11 | C12 | H6 | 112.9° | 113.8° |
| O14 | C11 | N10 | 110.2° | 113.9° |
| O14 | C11 | H5 | 111.7° | 113.9° |
| C15 | O16 | P17 | 121.5° | 123.0° |
| O16 | C15 | H8 | 109.6° | 109.5° |
| O16 | C15 | H9 | 109.6° | 109.5° |
| C11 | N10 | C03 | 125.9° | 126.3° |
| C11 | N10 | C09 | 126.7° | 126.3° |
| N10 | C11 | H5 | 111.7° | 113.0° |
| O16 | P17 | O19 | 107.9° | 109.4° |
| O16 | P17 | O20 | 108.3° | 109.5° |
| O16 | P17 | O18 | 114.9° | 109.5° |
| O19 | P17 | O20 | 110.5° | 109.4° |
| O19 | P17 | O18 | 108.3° | 109.5° |
| O23 | P21 | O24 | 109.7° | 109.5° |
| O23 | P21 | O20 | 110.3° | 109.5° |
| P21 | O23 | H11 | 109.5° | 114.0° |
| O24 | P21 | O20 | 108.5° | 109.5° |
| P21 | O24 | H12 | 109.5° | 114.0° |
| P21 | O20 | P17 | 122.8° | 134.0° |
| O20 | P17 | O18 | 106.8° | 109.5° |
| P17 | O18 | H10 | 109.5° | 114.0° |
| C03 | N10 | C09 | 107.3° | 107.4° |
| N10 | C03 | N02 | 134.3° | 134.9° |
| N10 | C03 | C04 | 107.0° | 106.0° |
| N10 | C09 | N08 | 110.5° | 110.0° |
| N10 | C09 | H4 | 124.7° | 125.0° |
| C03 | N02 | C01 | 121.1° | 120.6° |
| N02 | C03 | C04 | 118.7° | 119.1° |
| N02 | C01 | N06 | 121.9° | 122.5° |
| N02 | C01 | H1 | 119.0° | 118.7° |
| C03 | C04 | N08 | 106.8° | 107.1° |
| C03 | C04 | C05 | 118.1° | 118.2° |
| C09 | N08 | C04 | 108.3° | 109.4° |
| N08 | C09 | H4 | 124.7° | 125.0° |
| C01 | N06 | C05 | 120.7° | 121.2° |
| N06 | C01 | H1 | 119.0° | 118.8° |
| N08 | C04 | C05 | 135.1° | 134.7° |
| C04 | C05 | N06 | 119.5° | 118.4° |
| C04 | C05 | N07 | 120.2° | 120.8° |
| N06 | C05 | N07 | 120.4° | 120.8° |
| C05 | N07 | H2 | 109.5° | 120.0° |
| C05 | N07 | H3 | 109.5° | 120.0° |
| H2 | N07 | H3 | 109.4° | 120.0° |
| H8 | C15 | H9 | 109.5° | 109.4° |
| H13 | C29 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O30 | C29 | C12 | H13 | 120.7° | 120.0° |
| O30 | C29 | C12 | H14 | 120.7° | 120.0° |
| O30 | C29 | C12 | C13 | 23.4° | 88.8° |
| O30 | C29 | C12 | C11 | 77.2° | 175.0° |
| O30 | C29 | C12 | H6 | 153.7° | 43.1° |
| O30 | C29 | H13 | H14 | 117.7° | 120.0° |
| C29 | C12 | C13 | C11 | 116.1° | 114.3° |
| C29 | C12 | C13 | H6 | 128.8° | 131.5° |
| C29 | C12 | C13 | O14 | 110.6° | 136.7° |
| C29 | C12 | C13 | C15 | 132.7° | 109.0° |
| C29 | C12 | C11 | H6 | 128.4° | 131.5° |
| C29 | C12 | C11 | O14 | 109.4° | 136.8° |
| C29 | C12 | C11 | N10 | 137.2° | 108.9° |
| C29 | C12 | C11 | H5 | 3.5° | 22.6° |
| C29 | C12 | C13 | H7 | 4.2° | 22.7° |
| C12 | C29 | H13 | H14 | 117.7° | 119.9° |
| C12 | C29 | O30 | H15 | 180.0° | 180.0° |
| C12 | C13 | O14 | C15 | 115.0° | 114.2° |
| C12 | C13 | O14 | H7 | 115.9° | 114.1° |
| C12 | C13 | C15 | H7 | 129.5° | 132.0° |
| C13 | C12 | C11 | H6 | 116.5° | 114.2° |
| C12 | C13 | O14 | C11 | 5.7° | 24.1° |
| C12 | C13 | C15 | O16 | 131.5° | 175.0° |
| C13 | C12 | C11 | N10 | 107.7° | 136.7° |
| C13 | C12 | C11 | H5 | 118.6° | 91.7° |
| C12 | C13 | C15 | H8 | 108.6° | 55.0° |
| C12 | C13 | C15 | H9 | 11.6° | 65.0° |
| C13 | C12 | C29 | H13 | 97.3° | 31.3° |
| C13 | C12 | C29 | H14 | 144.2° | 151.3° |
| O14 | C13 | C15 | H7 | 129.4° | 132.0° |
| O14 | C13 | C15 | O16 | 30.4° | 89.0° |
| C13 | O14 | C11 | N10 | 118.0° | 138.3° |
| C13 | O14 | C11 | H5 | 117.3° | 90.2° |
| O14 | C13 | C12 | H6 | 120.6° | 91.8° |
| O14 | C13 | C15 | H8 | 150.3° | 150.9° |
| O14 | C13 | C15 | H9 | 89.5° | 31.0° |
| C15 | C13 | C12 | C11 | 111.2° | 136.7° |
| C15 | C13 | O14 | C11 | 109.3° | 138.2° |
| C13 | C15 | O16 | H8 | 119.9° | 120.0° |
| C13 | C15 | O16 | H9 | 119.9° | 120.0° |
| C13 | C15 | O16 | P17 | 173.5° | 180.0° |
| C15 | C13 | C12 | H6 | 4.0° | 22.5° |
| C13 | C15 | H8 | H9 | 120.3° | 120.0° |
| O22 | P21 | O23 | O24 | 122.7° | 120.0° |
| O22 | P21 | O23 | O20 | 117.8° | 120.0° |
| O22 | P21 | O24 | O20 | 118.4° | 120.0° |
| O22 | P21 | O20 | P17 | 60.6° | 40.0° |
| O22 | P21 | O23 | H11 | 0.0° | 180.0° |
| O22 | P21 | O24 | H12 | 0.0° | 60.0° |
| C12 | C11 | O14 | N10 | 123.4° | 114.2° |
| C12 | C11 | O14 | H5 | 111.9° | 114.2° |
| C12 | C11 | N10 | H5 | 133.1° | 131.9° |
| C12 | C11 | N10 | C03 | 130.5° | 87.3° |
| C12 | C11 | N10 | C09 | 53.8° | 92.7° |
| C11 | C12 | C13 | H7 | 120.2° | 91.6° |
| C11 | C12 | C29 | H13 | 162.1° | 65.0° |
| C11 | C12 | C29 | H14 | 43.6° | 55.0° |
| O14 | C11 | N10 | H5 | 124.7° | 132.0° |
| O14 | C11 | N10 | C03 | 127.3° | 176.6° |
| O14 | C11 | N10 | C09 | 48.3° | 3.3° |
| O14 | C11 | C12 | H6 | 122.2° | 91.7° |
| C11 | O14 | C13 | H7 | 121.7° | 90.1° |
| C15 | O16 | P17 | O19 | 64.6° | 55.0° |
| C15 | O16 | P17 | O20 | 175.7° | 175.0° |
| C15 | O16 | P17 | O18 | 56.4° | 65.0° |
| O16 | C15 | C13 | H7 | 99.0° | 42.9° |
| O16 | C15 | H8 | H9 | 120.3° | 120.0° |
| C11 | N10 | C03 | C09 | 176.3° | 180.0° |
| C11 | N10 | C03 | N02 | 3.5° | 0.1° |
| C11 | N10 | C03 | C04 | 177.6° | 180.0° |
| C11 | N10 | C09 | N08 | 177.6° | 180.0° |
| C11 | N10 | C09 | H4 | 2.5° | 0.0° |
| N10 | C11 | C12 | H6 | 8.8° | 22.6° |
| O16 | P17 | O19 | O20 | 118.3° | 120.0° |
| O16 | P17 | O19 | O18 | 124.9° | 120.0° |
| O16 | P17 | O20 | P21 | 89.5° | 165.0° |
| O16 | P17 | O20 | O18 | 124.3° | 120.0° |
| P17 | O16 | C15 | H8 | 66.5° | 60.0° |
| P17 | O16 | C15 | H9 | 53.6° | 60.0° |
| O16 | P17 | O18 | H10 | 120.7° | 60.0° |
| O19 | P17 | O20 | P21 | 28.6° | 45.0° |
| O19 | P17 | O20 | O18 | 117.7° | 120.0° |
| O19 | P17 | O18 | H10 | 0.0° | 180.0° |
| O23 | P21 | O24 | O20 | 120.6° | 120.0° |
| O23 | P21 | O20 | P17 | 58.1° | 80.0° |
| O23 | P21 | O24 | H12 | 121.0° | 60.0° |
| O24 | P21 | O20 | P17 | 178.3° | 160.0° |
| O24 | P21 | O23 | H11 | 122.7° | 60.0° |
| P21 | O20 | P17 | O18 | 146.3° | 75.0° |
| O20 | P21 | O23 | H11 | 117.8° | 60.0° |
| O20 | P21 | O24 | H12 | 118.4° | 180.0° |
| O20 | P17 | O18 | H10 | 119.1° | 60.0° |
| N10 | C03 | N02 | C04 | 178.8° | 179.9° |
| N10 | C03 | N02 | C01 | 179.0° | 180.0° |
| C03 | N10 | C09 | N08 | 1.3° | 0.0° |
| N10 | C03 | C04 | N08 | 0.9° | 0.0° |
| N10 | C03 | C04 | C05 | 179.0° | 180.0° |
| C03 | N10 | C09 | H4 | 178.8° | 180.0° |
| C03 | N10 | C11 | H5 | 2.6° | 44.6° |
| C09 | N10 | C03 | N02 | 179.8° | 180.0° |
| C09 | N10 | C03 | C04 | 1.3° | 0.0° |
| N10 | C09 | N08 | H4 | 180.0° | 180.0° |
| N10 | C09 | N08 | C04 | 0.7° | 0.0° |
| C09 | N10 | C11 | H5 | 173.0° | 135.3° |
| C03 | N02 | C01 | N06 | 0.4° | 0.0° |
| N02 | C03 | C04 | N08 | 180.0° | 180.0° |
| N02 | C03 | C04 | C05 | 0.1° | 0.0° |
| C03 | N02 | C01 | H1 | 179.6° | 179.8° |
| C01 | N02 | C03 | C04 | 0.3° | 0.1° |
| N02 | C01 | N06 | H1 | 180.0° | 179.8° |
| N02 | C01 | N06 | C05 | 0.2° | 0.0° |
| C03 | C04 | N08 | C09 | 0.1° | 0.0° |
| C03 | C04 | N08 | C05 | 179.9° | 180.0° |
| C03 | C04 | C05 | N06 | 0.2° | 0.0° |
| C03 | C04 | C05 | N07 | 179.8° | 180.0° |
| C09 | N08 | C04 | C05 | 179.8° | 180.0° |
| C01 | N06 | C05 | C04 | 0.1° | 0.0° |
| C01 | N06 | C05 | N07 | 179.6° | 180.0° |
| N08 | C04 | C05 | N06 | 179.9° | 180.0° |
| N08 | C04 | C05 | N07 | 0.4° | 0.0° |
| C04 | N08 | C09 | H4 | 179.3° | 180.0° |
| C04 | C05 | N06 | N07 | 179.5° | 180.0° |
| C04 | C05 | N07 | H2 | 179.5° | 0.0° |
| C04 | C05 | N07 | H3 | 59.5° | 180.0° |
| C05 | N06 | C01 | H1 | 179.8° | 179.7° |
| N06 | C05 | N07 | H2 | 0.0° | 180.0° |
| N06 | C05 | N07 | H3 | 120.0° | 0.0° |
| C05 | N07 | H2 | H3 | 120.0° | 180.0° |
| H5 | C11 | C12 | H6 | 124.9° | 154.1° |
| H6 | C12 | C13 | H7 | 124.6° | 154.2° |
| H6 | C12 | C29 | H13 | 33.0° | 163.1° |
| H6 | C12 | C29 | H14 | 85.6° | 76.9° |
| H7 | C13 | C15 | H8 | 20.9° | 77.1° |
| H7 | C13 | C15 | H9 | 141.1° | 162.9° |
| H13 | C29 | O30 | H15 | 59.3° | 59.9° |
| H14 | C29 | O30 | H15 | 59.3° | 60.1° |
