DN9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | C14 | doub | 1.21Å | 1.31Å | |
| O16 | C14 | sing | 1.34Å | 1.21Å | |
| C14 | C9 | sing | 1.51Å | 1.51Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| O10 | C8 | sing | 1.43Å | 1.43Å | |
| C8 | C6 | sing | 1.53Å | 1.54Å | |
| C8 | C11 | sing | 1.51Å | 1.53Å | |
| C6 | C5 | sing | 1.51Å | 1.52Å | |
| C11 | O13 | doub | 1.21Å | 1.31Å | |
| C11 | O12 | sing | 1.34Å | 1.21Å | |
| C5 | N4 | sing | 1.35Å | 1.34Å | |
| C5 | O7 | doub | 1.21Å | 1.23Å | |
| N4 | C2 | sing | 1.47Å | 1.46Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | N3 | sing | 1.47Å | 1.47Å | |
| N3 | C29 | sing | 1.47Å | 1.47Å | |
| O19 | P17 | doub | 1.48Å | 1.54Å | |
| C29 | C28 | sing | 1.51Å | 1.52Å | |
| C22 | O21 | sing | 1.43Å | 1.44Å | |
| C22 | C23 | sing | 1.51Å | 1.50Å | |
| C28 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| O18 | P17 | sing | 1.61Å | 1.54Å | |
| P17 | O21 | sing | 1.61Å | 1.59Å | |
| P17 | O20 | sing | 1.61Å | 1.48Å | |
| O30 | C27 | sing | 1.36Å | 1.36Å | |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C26 | doub | 1.39Å | 1.41Å | Aromatic |
| C24 | N25 | doub | 1.32Å | 1.34Å | Aromatic |
| C26 | N25 | sing | 1.32Å | 1.34Å | Aromatic |
| C26 | C31 | sing | 1.51Å | 1.50Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| N3 | H5 | sing | 1.01Å | 1.00Å | |
| N4 | H7 | sing | 0.97Å | 1.00Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| O10 | H12 | sing | 0.97Å | 0.95Å | |
| O12 | H13 | sing | 0.97Å | 0.95Å | |
| O16 | H14 | sing | 0.97Å | 0.95Å | |
| O18 | H15 | sing | 0.97Å | 0.95Å | |
| O20 | H16 | sing | 0.97Å | 0.95Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| O30 | H22 | sing | 0.97Å | 0.95Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | C14 | O16 | 122.9° | 120.0° |
| O15 | C14 | C9 | 114.9° | 120.0° |
| O16 | C14 | C9 | 122.3° | 120.0° |
| C14 | O16 | H14 | 109.5° | 117.0° |
| C14 | C9 | C8 | 112.6° | 109.5° |
| C14 | C9 | H10 | 108.7° | 109.5° |
| C14 | C9 | H11 | 108.7° | 109.5° |
| C9 | C8 | O10 | 108.4° | 109.5° |
| C9 | C8 | C6 | 112.7° | 109.5° |
| C9 | C8 | C11 | 109.8° | 109.5° |
| C8 | C9 | H10 | 108.7° | 109.5° |
| C8 | C9 | H11 | 108.7° | 109.5° |
| O10 | C8 | C6 | 107.2° | 109.5° |
| O10 | C8 | C11 | 108.8° | 109.4° |
| C8 | O10 | H12 | 109.5° | 113.9° |
| C6 | C8 | C11 | 109.8° | 109.5° |
| C8 | C6 | C5 | 114.6° | 109.5° |
| C8 | C6 | H8 | 108.2° | 109.5° |
| C8 | C6 | H9 | 108.2° | 109.4° |
| C8 | C11 | O13 | 113.3° | 120.0° |
| C8 | C11 | O12 | 122.7° | 120.0° |
| C6 | C5 | N4 | 115.4° | 120.0° |
| C6 | C5 | O7 | 121.2° | 120.0° |
| C5 | C6 | H8 | 108.2° | 109.5° |
| C5 | C6 | H9 | 108.2° | 109.5° |
| O13 | C11 | O12 | 124.0° | 120.0° |
| C11 | O12 | H13 | 109.5° | 117.0° |
| N4 | C5 | O7 | 123.3° | 120.0° |
| C5 | N4 | C2 | 124.0° | 120.0° |
| C5 | N4 | H7 | 118.0° | 120.1° |
| N4 | C2 | C1 | 112.1° | 109.4° |
| N4 | C2 | H3 | 108.8° | 109.5° |
| N4 | C2 | H4 | 108.8° | 109.4° |
| C2 | N4 | H7 | 118.0° | 120.0° |
| C2 | C1 | N3 | 113.6° | 109.5° |
| C2 | C1 | H1 | 108.4° | 109.5° |
| C2 | C1 | H2 | 108.4° | 109.5° |
| C1 | C2 | H3 | 108.8° | 109.5° |
| C1 | C2 | H4 | 108.8° | 109.5° |
| C1 | N3 | C29 | 115.4° | 111.0° |
| N3 | C1 | H1 | 108.4° | 109.4° |
| N3 | C1 | H2 | 108.5° | 109.5° |
| C1 | N3 | H5 | 108.0° | 111.0° |
| N3 | C29 | C28 | 116.2° | 109.5° |
| C29 | N3 | H5 | 107.9° | 111.0° |
| N3 | C29 | H20 | 107.8° | 109.5° |
| N3 | C29 | H21 | 107.8° | 109.5° |
| O19 | P17 | O18 | 108.5° | 109.5° |
| O19 | P17 | O21 | 107.1° | 109.5° |
| O19 | P17 | O20 | 113.3° | 109.5° |
| C29 | C28 | C23 | 120.1° | 120.8° |
| C29 | C28 | C27 | 121.7° | 120.8° |
| C28 | C29 | H20 | 107.7° | 109.4° |
| C28 | C29 | H21 | 107.8° | 109.5° |
| O21 | C22 | C23 | 105.4° | 109.5° |
| C22 | O21 | P17 | 119.3° | 123.0° |
| O21 | C22 | H17 | 110.4° | 109.5° |
| O21 | C22 | H18 | 110.5° | 109.5° |
| C22 | C23 | C28 | 123.5° | 120.4° |
| C22 | C23 | C24 | 118.7° | 120.3° |
| C23 | C22 | H17 | 110.5° | 109.5° |
| C23 | C22 | H18 | 110.5° | 109.4° |
| C23 | C28 | C27 | 117.9° | 118.4° |
| C28 | C23 | C24 | 117.7° | 119.3° |
| C28 | C27 | O30 | 119.8° | 120.5° |
| C28 | C27 | C26 | 119.9° | 119.1° |
| O18 | P17 | O21 | 106.4° | 109.5° |
| O18 | P17 | O20 | 113.9° | 109.5° |
| P17 | O18 | H15 | 109.5° | 114.0° |
| O21 | P17 | O20 | 107.1° | 109.5° |
| P17 | O20 | H16 | 109.5° | 114.0° |
| O30 | C27 | C26 | 120.2° | 120.5° |
| C27 | O30 | H22 | 109.5° | 114.0° |
| C23 | C24 | N25 | 124.7° | 120.8° |
| C23 | C24 | H19 | 117.6° | 119.6° |
| C27 | C26 | N25 | 121.4° | 120.7° |
| C27 | C26 | C31 | 121.3° | 119.7° |
| C24 | N25 | C26 | 118.2° | 121.8° |
| N25 | C24 | H19 | 117.7° | 119.6° |
| N25 | C26 | C31 | 117.3° | 119.7° |
| C26 | C31 | H23 | 109.5° | 109.5° |
| C26 | C31 | H24 | 109.4° | 109.5° |
| C26 | C31 | H25 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C2 | H4 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H10 | C9 | H11 | 109.5° | 109.5° |
| H17 | C22 | H18 | 109.5° | 109.4° |
| H20 | C29 | H21 | 109.4° | 109.5° |
| H23 | C31 | H24 | 109.5° | 109.5° |
| H23 | C31 | H25 | 109.4° | 109.4° |
| H24 | C31 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | C14 | O16 | C9 | 179.7° | 180.0° |
| O15 | C14 | C9 | C8 | 129.0° | 0.0° |
| O15 | C14 | C9 | H10 | 110.5° | 120.0° |
| O15 | C14 | C9 | H11 | 8.6° | 120.0° |
| O15 | C14 | O16 | H14 | 0.0° | 0.1° |
| O16 | C14 | C9 | C8 | 50.7° | 180.0° |
| O16 | C14 | C9 | H10 | 69.8° | 60.0° |
| O16 | C14 | C9 | H11 | 171.2° | 60.0° |
| C14 | C9 | C8 | H10 | 120.5° | 120.0° |
| C14 | C9 | C8 | H11 | 120.4° | 120.0° |
| C14 | C9 | C8 | O10 | 39.7° | 65.0° |
| C14 | C9 | C8 | C6 | 158.2° | 175.0° |
| C14 | C9 | C8 | C11 | 79.0° | 55.0° |
| C14 | C9 | H10 | H11 | 118.5° | 120.0° |
| C9 | C14 | O16 | H14 | 179.8° | 180.0° |
| C9 | C8 | O10 | C6 | 121.9° | 120.0° |
| C9 | C8 | O10 | C11 | 119.4° | 120.0° |
| C9 | C8 | C6 | C11 | 122.8° | 120.0° |
| C9 | C8 | C6 | C5 | 174.5° | 180.0° |
| C9 | C8 | C11 | O13 | 61.8° | 120.0° |
| C9 | C8 | C11 | O12 | 118.6° | 60.0° |
| C9 | C8 | C6 | H8 | 64.7° | 60.0° |
| C9 | C8 | C6 | H9 | 53.8° | 60.0° |
| C8 | C9 | H10 | H11 | 118.6° | 120.0° |
| C9 | C8 | O10 | H12 | 180.0° | 60.0° |
| O10 | C8 | C6 | C11 | 118.0° | 120.0° |
| O10 | C8 | C6 | C5 | 66.2° | 60.0° |
| O10 | C8 | C11 | O13 | 179.7° | 0.0° |
| O10 | C8 | C11 | O12 | 0.0° | 180.0° |
| O10 | C8 | C6 | H8 | 54.5° | 180.0° |
| O10 | C8 | C6 | H9 | 173.0° | 60.0° |
| O10 | C8 | C9 | H10 | 80.8° | 175.0° |
| O10 | C8 | C9 | H11 | 160.2° | 55.0° |
| C8 | C6 | C5 | H8 | 120.7° | 120.0° |
| C8 | C6 | C5 | H9 | 120.8° | 120.0° |
| C6 | C8 | C11 | O13 | 62.6° | 120.0° |
| C6 | C8 | C11 | O12 | 117.0° | 60.0° |
| C8 | C6 | C5 | N4 | 54.1° | 180.0° |
| C8 | C6 | C5 | O7 | 125.3° | 0.0° |
| C8 | C6 | H8 | H9 | 117.7° | 120.0° |
| C6 | C8 | C9 | H10 | 37.7° | 55.0° |
| C6 | C8 | C9 | H11 | 81.3° | 65.0° |
| C6 | C8 | O10 | H12 | 58.1° | 60.0° |
| C11 | C8 | C6 | C5 | 51.8° | 60.0° |
| C8 | C11 | O13 | O12 | 179.6° | 180.0° |
| C11 | C8 | C6 | H8 | 172.5° | 60.0° |
| C11 | C8 | C6 | H9 | 69.0° | 180.0° |
| C11 | C8 | C9 | H10 | 160.5° | 65.0° |
| C11 | C8 | C9 | H11 | 41.4° | 175.0° |
| C11 | C8 | O10 | H12 | 60.6° | 180.0° |
| C8 | C11 | O12 | H13 | 179.6° | 180.0° |
| C6 | C5 | N4 | O7 | 179.4° | 180.0° |
| C6 | C5 | N4 | C2 | 176.4° | 180.0° |
| C6 | C5 | N4 | H7 | 3.6° | 0.0° |
| C5 | C6 | H8 | H9 | 117.7° | 120.0° |
| O13 | C11 | O12 | H13 | 0.0° | 0.0° |
| C5 | N4 | C2 | H7 | 180.0° | 180.0° |
| C5 | N4 | C2 | C1 | 140.4° | 180.0° |
| C5 | N4 | C2 | H3 | 20.0° | 60.0° |
| C5 | N4 | C2 | H4 | 99.2° | 60.0° |
| N4 | C5 | C6 | H8 | 66.7° | 60.0° |
| N4 | C5 | C6 | H9 | 174.8° | 60.0° |
| O7 | C5 | N4 | C2 | 4.2° | 0.0° |
| O7 | C5 | N4 | H7 | 175.8° | 180.0° |
| O7 | C5 | C6 | H8 | 113.9° | 120.0° |
| O7 | C5 | C6 | H9 | 4.6° | 120.0° |
| N4 | C2 | C1 | H3 | 120.4° | 120.0° |
| N4 | C2 | C1 | H4 | 120.4° | 119.9° |
| N4 | C2 | C1 | N3 | 161.7° | 180.0° |
| N4 | C2 | C1 | H1 | 41.1° | 60.1° |
| N4 | C2 | C1 | H2 | 77.6° | 60.0° |
| N4 | C2 | H3 | H4 | 118.8° | 120.0° |
| C2 | C1 | N3 | H1 | 120.6° | 120.0° |
| C2 | C1 | N3 | H2 | 120.6° | 120.0° |
| C2 | C1 | N3 | C29 | 59.2° | 180.0° |
| C2 | C1 | H1 | H2 | 118.1° | 120.1° |
| C1 | C2 | H3 | H4 | 118.8° | 120.1° |
| C2 | C1 | N3 | H5 | 61.6° | 56.0° |
| C1 | C2 | N4 | H7 | 39.6° | 0.0° |
| C1 | N3 | C29 | H5 | 120.9° | 124.0° |
| C1 | N3 | C29 | C28 | 142.7° | 180.0° |
| N3 | C1 | H1 | H2 | 118.2° | 120.0° |
| N3 | C1 | C2 | H3 | 77.9° | 60.0° |
| N3 | C1 | C2 | H4 | 41.3° | 60.1° |
| C1 | N3 | C29 | H20 | 21.7° | 60.0° |
| C1 | N3 | C29 | H21 | 96.3° | 60.0° |
| N3 | C29 | C28 | H20 | 121.0° | 120.0° |
| N3 | C29 | C28 | H21 | 121.0° | 120.0° |
| N3 | C29 | C28 | C23 | 130.9° | 89.9° |
| N3 | C29 | C28 | C27 | 55.4° | 89.7° |
| C29 | N3 | C1 | H1 | 179.8° | 60.0° |
| C29 | N3 | C1 | H2 | 61.4° | 60.0° |
| N3 | C29 | H20 | H21 | 116.9° | 120.0° |
| O19 | P17 | O21 | C22 | 34.3° | 55.0° |
| O19 | P17 | O18 | O21 | 115.0° | 120.0° |
| O19 | P17 | O18 | O20 | 127.2° | 120.0° |
| O19 | P17 | O21 | O20 | 121.9° | 120.0° |
| O19 | P17 | O18 | H15 | 0.0° | 60.0° |
| O19 | P17 | O20 | H16 | 0.0° | 180.0° |
| C29 | C28 | C23 | C22 | 11.2° | 0.1° |
| C29 | C28 | C23 | C27 | 173.9° | 179.7° |
| C29 | C28 | C27 | O30 | 4.2° | 0.0° |
| C29 | C28 | C23 | C24 | 171.5° | 179.7° |
| C29 | C28 | C27 | C26 | 173.1° | 179.7° |
| C28 | C29 | N3 | H5 | 96.4° | 56.1° |
| C28 | C29 | H20 | H21 | 116.9° | 120.0° |
| O21 | C22 | C23 | H17 | 119.3° | 120.0° |
| O21 | C22 | C23 | H18 | 119.4° | 120.0° |
| O21 | C22 | C23 | C28 | 74.5° | 179.7° |
| C22 | O21 | P17 | O18 | 150.2° | 175.0° |
| C22 | O21 | P17 | O20 | 87.6° | 65.0° |
| O21 | C22 | C23 | C24 | 108.3° | 0.0° |
| O21 | C22 | H17 | H18 | 121.9° | 120.0° |
| C22 | C23 | C28 | C24 | 177.3° | 179.7° |
| C22 | C23 | C28 | C27 | 174.9° | 179.8° |
| C23 | C22 | O21 | P17 | 171.8° | 180.0° |
| C22 | C23 | C24 | N25 | 175.2° | 180.0° |
| C23 | C22 | H17 | H18 | 121.9° | 119.9° |
| C22 | C23 | C24 | H19 | 4.8° | 0.1° |
| C23 | C28 | C27 | O30 | 178.0° | 179.7° |
| C23 | C28 | C27 | C26 | 0.7° | 0.6° |
| C28 | C23 | C24 | N25 | 2.2° | 0.3° |
| C28 | C23 | C22 | H17 | 44.9° | 59.6° |
| C28 | C23 | C22 | H18 | 166.2° | 60.3° |
| C28 | C23 | C24 | H19 | 177.8° | 179.8° |
| C23 | C28 | C29 | H20 | 9.9° | 30.0° |
| C23 | C28 | C29 | H21 | 108.1° | 150.0° |
| C28 | C27 | O30 | C26 | 177.3° | 179.7° |
| C27 | C28 | C23 | C24 | 2.4° | 0.6° |
| C28 | C27 | C26 | N25 | 1.4° | 0.3° |
| C28 | C27 | C26 | C31 | 177.3° | 179.7° |
| C27 | C28 | C29 | H20 | 176.4° | 150.3° |
| C27 | C28 | C29 | H21 | 65.6° | 30.3° |
| C28 | C27 | O30 | H22 | 180.0° | 89.8° |
| O18 | P17 | O21 | O20 | 122.2° | 120.0° |
| O18 | P17 | O20 | H16 | 124.6° | 60.0° |
| O21 | P17 | O18 | H15 | 115.0° | 180.0° |
| O21 | P17 | O20 | H16 | 118.0° | 60.0° |
| P17 | O21 | C22 | H17 | 68.8° | 60.0° |
| P17 | O21 | C22 | H18 | 52.4° | 60.0° |
| O20 | P17 | O18 | H15 | 127.2° | 60.0° |
| O30 | C27 | C26 | N25 | 175.9° | 180.0° |
| O30 | C27 | C26 | C31 | 5.4° | 0.0° |
| C23 | C24 | N25 | H19 | 180.0° | 179.9° |
| C23 | C24 | N25 | C26 | 0.1° | 0.0° |
| C24 | C23 | C22 | H17 | 132.4° | 120.0° |
| C24 | C23 | C22 | H18 | 11.1° | 120.1° |
| C27 | C26 | N25 | C24 | 1.7° | 0.0° |
| C27 | C26 | N25 | C31 | 178.8° | 180.0° |
| C26 | C27 | O30 | H22 | 2.7° | 90.0° |
| C27 | C26 | C31 | H23 | 178.8° | 90.0° |
| C27 | C26 | C31 | H24 | 61.2° | 30.0° |
| C27 | C26 | C31 | H25 | 58.8° | 150.0° |
| C24 | N25 | C26 | C31 | 177.1° | 180.0° |
| C26 | N25 | C24 | H19 | 179.9° | 180.0° |
| N25 | C26 | C31 | H23 | 0.0° | 90.0° |
| N25 | C26 | C31 | H24 | 120.0° | 150.0° |
| N25 | C26 | C31 | H25 | 120.0° | 30.0° |
| C26 | C31 | H23 | H24 | 120.0° | 120.0° |
| C26 | C31 | H23 | H25 | 120.0° | 120.0° |
| C26 | C31 | H24 | H25 | 120.0° | 120.0° |
| H1 | C1 | C2 | H3 | 161.5° | 59.9° |
| H1 | C1 | C2 | H4 | 79.3° | 180.0° |
| H1 | C1 | N3 | H5 | 59.0° | 176.0° |
| H2 | C1 | C2 | H3 | 42.7° | NaN° |
| H2 | C1 | C2 | H4 | 162.0° | 59.9° |
| H2 | C1 | N3 | H5 | 177.8° | 64.0° |
| H3 | C2 | N4 | H7 | 160.0° | 120.0° |
| H4 | C2 | N4 | H7 | 80.8° | 120.0° |
| H5 | N3 | C29 | H20 | 142.6° | 176.0° |
| H5 | N3 | C29 | H21 | 24.6° | 64.0° |
| H23 | C31 | H24 | H25 | 119.9° | 119.9° |
