7D5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | P17 | doub | 1.48Å | 1.48Å | |
| O20 | P17 | sing | 1.61Å | 1.63Å | |
| O30 | C29 | sing | 1.43Å | 1.39Å | |
| P17 | O16 | sing | 1.61Å | 1.59Å | |
| P17 | O19 | sing | 1.61Å | 1.49Å | |
| O16 | C15 | sing | 1.43Å | 1.39Å | |
| C29 | C12 | sing | 1.53Å | 1.56Å | |
| C13 | C15 | sing | 1.53Å | 1.51Å | |
| C13 | O14 | sing | 1.44Å | 1.46Å | |
| C13 | C12 | sing | 1.54Å | 1.41Å | |
| O14 | C11 | sing | 1.44Å | 1.41Å | |
| C12 | C11 | sing | 1.54Å | 1.48Å | |
| C11 | N10 | sing | 1.46Å | 1.39Å | |
| N10 | C03 | sing | 1.37Å | 1.38Å | Aromatic |
| N10 | C09 | sing | 1.36Å | 1.33Å | Aromatic |
| N02 | C03 | doub | 1.33Å | 1.38Å | Aromatic |
| N02 | C01 | sing | 1.32Å | 1.33Å | Aromatic |
| C03 | C04 | sing | 1.41Å | 1.40Å | Aromatic |
| C09 | N08 | doub | 1.30Å | 1.34Å | Aromatic |
| C01 | N06 | doub | 1.32Å | 1.33Å | Aromatic |
| C04 | N08 | sing | 1.36Å | 1.37Å | Aromatic |
| C04 | C05 | doub | 1.41Å | 1.42Å | 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 | |
| O19 | H10 | sing | 0.97Å | 0.95Å | |
| O20 | H11 | sing | 0.97Å | 0.95Å | |
| C29 | H12 | sing | 1.09Å | 1.10Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| O30 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | P17 | O20 | 107.5° | 109.5° |
| O18 | P17 | O16 | 109.0° | 109.5° |
| O18 | P17 | O19 | 110.7° | 109.5° |
| O20 | P17 | O16 | 113.2° | 109.5° |
| O20 | P17 | O19 | 106.9° | 109.5° |
| P17 | O20 | H11 | 109.5° | 113.9° |
| O30 | C29 | C12 | 110.1° | 109.5° |
| O30 | C29 | H12 | 109.3° | 109.4° |
| O30 | C29 | H13 | 109.3° | 109.5° |
| C29 | O30 | H14 | 109.5° | 114.0° |
| O16 | P17 | O19 | 109.4° | 109.4° |
| P17 | O16 | C15 | 118.4° | 123.0° |
| P17 | O19 | H10 | 109.5° | 114.0° |
| O16 | C15 | C13 | 108.2° | 109.5° |
| O16 | C15 | H8 | 109.8° | 109.4° |
| O16 | C15 | H9 | 109.8° | 109.5° |
| C29 | C12 | C13 | 110.9° | 113.9° |
| C29 | C12 | C11 | 113.9° | 113.8° |
| C29 | C12 | H6 | 112.2° | 113.0° |
| C12 | C29 | H12 | 109.3° | 109.5° |
| C12 | C29 | H13 | 109.3° | 109.4° |
| C15 | C13 | O14 | 115.8° | 113.9° |
| C15 | C13 | C12 | 115.4° | 114.0° |
| C15 | C13 | H7 | 110.8° | 113.0° |
| C13 | C15 | H8 | 109.8° | 109.4° |
| C13 | C15 | H9 | 109.8° | 109.5° |
| O14 | C13 | C12 | 89.4° | 85.6° |
| C13 | O14 | C11 | 90.3° | 93.2° |
| O14 | C13 | H7 | 111.5° | 113.8° |
| C13 | C12 | C11 | 89.8° | 85.8° |
| C13 | C12 | H6 | 114.7° | 113.8° |
| C12 | C13 | H7 | 112.4° | 113.9° |
| O14 | C11 | C12 | 88.5° | 85.7° |
| O14 | C11 | N10 | 106.7° | 113.9° |
| O14 | C11 | H5 | 113.8° | 113.8° |
| C12 | C11 | N10 | 118.3° | 113.8° |
| C12 | C11 | H5 | 112.7° | 113.9° |
| C11 | C12 | H6 | 113.5° | 113.9° |
| C11 | N10 | C03 | 127.8° | 126.3° |
| C11 | N10 | C09 | 124.3° | 126.3° |
| N10 | C11 | H5 | 114.1° | 113.1° |
| C03 | N10 | C09 | 107.8° | 107.5° |
| N10 | C03 | N02 | 134.8° | 134.9° |
| N10 | C03 | C04 | 106.9° | 106.0° |
| N10 | C09 | N08 | 110.6° | 110.0° |
| N10 | C09 | H4 | 124.7° | 125.0° |
| C03 | N02 | C01 | 120.6° | 120.6° |
| N02 | C03 | C04 | 118.4° | 119.1° |
| N02 | C01 | N06 | 122.8° | 122.5° |
| N02 | C01 | H1 | 118.6° | 118.8° |
| C03 | C04 | N08 | 106.8° | 107.1° |
| C03 | C04 | C05 | 118.8° | 118.2° |
| C09 | N08 | C04 | 108.0° | 109.4° |
| N08 | C09 | H4 | 124.7° | 125.0° |
| C01 | N06 | C05 | 120.6° | 121.2° |
| N06 | C01 | H1 | 118.6° | 118.7° |
| N08 | C04 | C05 | 134.5° | 134.7° |
| C04 | C05 | N06 | 118.9° | 118.4° |
| C04 | C05 | N07 | 120.3° | 120.8° |
| N06 | C05 | N07 | 120.8° | 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 | 109.4° | 109.5° |
| H12 | C29 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | P17 | O20 | O16 | 120.5° | 120.0° |
| O18 | P17 | O20 | O19 | 118.9° | 120.0° |
| O18 | P17 | O16 | O19 | 121.2° | 120.0° |
| O18 | P17 | O16 | C15 | 174.5° | 55.0° |
| O18 | P17 | O19 | H10 | 0.0° | 60.0° |
| O18 | P17 | O20 | H11 | 0.0° | 180.0° |
| O20 | P17 | O16 | O19 | 119.2° | 120.0° |
| O20 | P17 | O16 | C15 | 54.9° | 65.0° |
| O20 | P17 | O19 | H10 | 116.8° | 60.0° |
| O30 | C29 | C12 | H12 | 120.1° | 120.0° |
| O30 | C29 | C12 | H13 | 120.1° | 120.0° |
| O30 | C29 | C12 | C13 | 60.0° | 88.8° |
| O30 | C29 | C12 | C11 | 39.6° | 175.0° |
| O30 | C29 | C12 | H6 | 170.3° | 43.1° |
| O30 | C29 | H12 | H13 | 119.7° | 120.0° |
| P17 | O16 | C15 | C13 | 138.8° | 180.0° |
| P17 | O16 | C15 | H8 | 101.3° | 60.0° |
| P17 | O16 | C15 | H9 | 19.0° | 60.0° |
| O16 | P17 | O19 | H10 | 120.2° | 180.0° |
| O16 | P17 | O20 | H11 | 120.5° | 60.0° |
| O19 | P17 | O16 | C15 | 64.3° | 175.0° |
| O19 | P17 | O20 | H11 | 118.9° | 60.0° |
| O16 | C15 | C13 | H8 | 119.8° | 120.0° |
| O16 | C15 | C13 | H9 | 119.8° | 120.0° |
| O16 | C15 | C13 | O14 | 80.3° | 84.5° |
| O16 | C15 | C13 | C12 | 177.1° | 179.5° |
| O16 | C15 | C13 | H7 | 48.0° | 47.4° |
| O16 | C15 | H8 | H9 | 120.6° | 120.0° |
| C29 | C12 | C13 | C15 | 115.5° | 109.1° |
| C29 | C12 | C13 | O14 | 126.0° | 136.7° |
| C29 | C12 | C13 | C11 | 115.7° | 114.2° |
| C29 | C12 | C13 | H6 | 128.4° | 131.5° |
| C29 | C12 | C11 | O14 | 123.6° | 136.8° |
| C29 | C12 | C11 | H6 | 130.1° | 131.5° |
| C29 | C12 | C11 | N10 | 128.2° | 109.0° |
| C29 | C12 | C11 | H5 | 8.3° | 22.7° |
| C29 | C12 | C13 | H7 | 12.9° | 22.6° |
| C12 | C29 | H12 | H13 | 119.7° | 120.0° |
| C12 | C29 | O30 | H14 | 180.0° | 179.9° |
| C15 | C13 | O14 | C12 | 118.2° | 114.3° |
| C15 | C13 | O14 | H7 | 127.9° | 131.5° |
| C15 | C13 | C12 | H7 | 128.4° | 131.7° |
| C15 | C13 | O14 | C11 | 129.0° | 138.4° |
| C15 | C13 | C12 | C11 | 128.8° | 136.7° |
| C15 | C13 | C12 | H6 | 12.9° | 22.4° |
| C13 | C15 | H8 | H9 | 120.6° | 120.0° |
| O14 | C13 | C12 | H7 | 113.1° | 114.1° |
| O14 | C13 | C12 | C11 | 10.3° | 22.5° |
| C13 | O14 | C11 | N10 | 129.4° | 138.2° |
| C13 | O14 | C11 | H5 | 103.9° | 90.2° |
| O14 | C13 | C12 | H6 | 105.6° | 91.8° |
| O14 | C13 | C15 | H8 | 39.5° | 155.6° |
| O14 | C13 | C15 | H9 | 159.9° | 35.5° |
| C13 | C12 | C11 | H6 | 117.1° | 114.2° |
| C13 | C12 | C11 | N10 | 118.9° | 136.7° |
| C13 | C12 | C11 | H5 | 104.5° | 91.7° |
| C12 | C13 | C15 | H8 | 63.0° | 59.6° |
| C12 | C13 | C15 | H9 | 57.3° | 60.5° |
| C13 | C12 | C29 | H12 | 60.1° | 31.2° |
| C13 | C12 | C29 | H13 | 179.9° | 151.3° |
| O14 | C11 | C12 | N10 | 108.2° | 114.2° |
| O14 | C11 | C12 | H5 | 115.2° | 114.2° |
| O14 | C11 | N10 | H5 | 126.5° | 132.0° |
| O14 | C11 | N10 | C03 | 120.1° | 176.6° |
| O14 | C11 | N10 | C09 | 55.7° | 3.3° |
| O14 | C11 | C12 | H6 | 106.4° | 91.7° |
| C11 | O14 | C13 | H7 | 103.1° | 90.1° |
| C12 | C11 | N10 | H5 | 136.0° | 132.0° |
| C12 | C11 | N10 | C03 | 142.4° | 87.4° |
| C12 | C11 | N10 | C09 | 41.8° | 92.7° |
| C11 | C12 | C13 | H7 | 102.8° | 91.7° |
| C11 | C12 | C29 | H12 | 159.6° | 65.0° |
| C11 | C12 | C29 | H13 | 80.6° | 55.0° |
| C11 | N10 | C03 | C09 | 176.3° | 179.9° |
| C11 | N10 | C03 | N02 | 3.5° | 0.1° |
| C11 | N10 | C03 | C04 | 177.0° | 180.0° |
| C11 | N10 | C09 | N08 | 177.6° | 180.0° |
| C11 | N10 | C09 | H4 | 2.4° | 0.0° |
| N10 | C11 | C12 | H6 | 1.8° | 22.5° |
| N10 | C03 | N02 | C04 | 179.4° | 179.9° |
| N10 | C03 | N02 | C01 | 179.9° | 180.0° |
| C03 | N10 | C09 | N08 | 1.2° | 0.0° |
| N10 | C03 | C04 | N08 | 0.0° | 0.0° |
| N10 | C03 | C04 | C05 | 179.5° | 180.0° |
| C03 | N10 | C09 | H4 | 178.8° | 180.0° |
| C03 | N10 | C11 | H5 | 6.4° | 44.6° |
| C09 | N10 | C03 | N02 | 179.8° | 180.0° |
| C09 | N10 | C03 | C04 | 0.7° | 0.0° |
| N10 | C09 | N08 | H4 | 180.0° | 180.0° |
| N10 | C09 | N08 | C04 | 1.1° | 0.0° |
| C09 | N10 | C11 | H5 | 177.9° | 135.3° |
| C03 | N02 | C01 | N06 | 1.3° | 0.1° |
| N02 | C03 | C04 | N08 | 179.6° | 180.0° |
| N02 | C03 | C04 | C05 | 0.1° | 0.1° |
| C03 | N02 | C01 | H1 | 178.7° | 179.7° |
| C01 | N02 | C03 | C04 | 0.5° | 0.0° |
| N02 | C01 | N06 | H1 | 180.0° | 179.6° |
| N02 | C01 | N06 | C05 | 1.5° | 0.1° |
| C03 | C04 | N08 | C09 | 0.6° | 0.0° |
| C03 | C04 | N08 | C05 | 179.4° | 179.9° |
| C03 | C04 | C05 | N06 | 0.1° | 0.1° |
| C03 | C04 | C05 | N07 | 179.9° | 179.9° |
| C09 | N08 | C04 | C05 | 180.0° | 180.0° |
| C01 | N06 | C05 | C04 | 0.9° | 0.1° |
| C01 | N06 | C05 | N07 | 179.3° | 179.9° |
| N08 | C04 | C05 | N06 | 179.2° | 180.0° |
| N08 | C04 | C05 | N07 | 0.6° | 0.0° |
| C04 | N08 | C09 | H4 | 178.9° | 180.0° |
| C04 | C05 | N06 | N07 | 179.8° | 180.0° |
| C04 | C05 | N07 | H2 | 179.8° | 0.1° |
| C04 | C05 | N07 | H3 | 60.2° | 180.0° |
| C05 | N06 | C01 | H1 | 178.5° | 179.7° |
| N06 | C05 | N07 | H2 | 0.0° | 179.9° |
| N06 | C05 | N07 | H3 | 120.0° | 0.0° |
| C05 | N07 | H2 | H3 | 120.0° | 179.9° |
| H5 | C11 | C12 | H6 | 138.4° | 154.1° |
| H6 | C12 | C13 | H7 | 141.3° | 154.1° |
| H6 | C12 | C29 | H12 | 69.6° | 163.1° |
| H6 | C12 | C29 | H13 | 50.1° | 76.9° |
| H7 | C13 | C15 | H8 | 167.8° | 72.5° |
| H7 | C13 | C15 | H9 | 71.9° | 167.4° |
| H12 | C29 | O30 | H14 | 59.9° | 60.0° |
| H13 | C29 | O30 | H14 | 59.9° | 60.0° |
