D6D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C10 | sing | 1.43Å | 1.42Å | |
| C10 | C2 | sing | 1.53Å | 1.52Å | |
| N1 | C6 | sing | 1.47Å | 1.50Å | |
| C2 | C1 | sing | 1.54Å | 1.53Å | |
| C2 | N | sing | 1.49Å | 1.52Å | |
| C5 | O2 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.58Å | |
| C1 | C | sing | 1.54Å | 1.50Å | |
| O1 | C7 | sing | 1.45Å | 1.45Å | |
| O1 | C9 | sing | 1.44Å | 1.41Å | |
| C6 | C7 | sing | 1.54Å | 1.53Å | |
| N | C4 | sing | 1.47Å | 1.53Å | |
| N | C3 | sing | 1.49Å | 1.51Å | |
| C7 | C8 | sing | 1.55Å | 1.52Å | |
| C4 | C9 | sing | 1.54Å | 1.57Å | |
| C | C3 | sing | 1.54Å | 1.48Å | |
| C9 | O | sing | 1.44Å | 1.41Å | |
| C8 | O | sing | 1.44Å | 1.44Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| N1 | H5 | sing | 1.01Å | 1.00Å | |
| N1 | H6 | sing | 1.01Å | 1.00Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C | H21 | sing | 1.09Å | 1.10Å | |
| O2 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C10 | C2 | 110.8° | 109.5° |
| C10 | O3 | H1 | 109.5° | 114.0° |
| O3 | C10 | H12 | 109.1° | 109.5° |
| O3 | C10 | H13 | 109.2° | 109.4° |
| C10 | C2 | C1 | 112.7° | 110.4° |
| C10 | C2 | N | 113.0° | 110.4° |
| C2 | C10 | H12 | 109.1° | 109.5° |
| C2 | C10 | H13 | 109.1° | 109.5° |
| C10 | C2 | H14 | 109.3° | 110.4° |
| N1 | C6 | C5 | 109.3° | 109.6° |
| N1 | C6 | C7 | 109.8° | 109.6° |
| N1 | C6 | H4 | 109.4° | 109.8° |
| C6 | N1 | H5 | 109.5° | 111.0° |
| C6 | N1 | H6 | 109.4° | 111.0° |
| C1 | C2 | N | 103.1° | 104.6° |
| C2 | C1 | C | 104.7° | 105.1° |
| C1 | C2 | H14 | 109.2° | 110.4° |
| C2 | C1 | H15 | 110.7° | 110.4° |
| C2 | C1 | H16 | 110.6° | 110.3° |
| C2 | N | C4 | 117.5° | 111.0° |
| C2 | N | C3 | 107.0° | 104.2° |
| N | C2 | H14 | 109.3° | 110.5° |
| O2 | C5 | C6 | 108.9° | 109.5° |
| O2 | C5 | C4 | 104.3° | 109.5° |
| O2 | C5 | H3 | 112.7° | 109.5° |
| C5 | O2 | H22 | 109.5° | 114.0° |
| C6 | C5 | C4 | 109.2° | 109.3° |
| C5 | C6 | C7 | 110.3° | 108.5° |
| C6 | C5 | H3 | 111.1° | 109.5° |
| C5 | C6 | H4 | 109.0° | 109.6° |
| C5 | C4 | N | 114.6° | 109.7° |
| C5 | C4 | C9 | 107.9° | 108.8° |
| C5 | C4 | H2 | 108.0° | 109.6° |
| C4 | C5 | H3 | 110.4° | 109.5° |
| C1 | C | C3 | 102.5° | 105.0° |
| C | C1 | H15 | 110.7° | 110.3° |
| C | C1 | H16 | 110.6° | 110.3° |
| C1 | C | H20 | 111.2° | 110.3° |
| C1 | C | H21 | 111.2° | 110.3° |
| C7 | O1 | C9 | 101.6° | 102.8° |
| O1 | C7 | C6 | 108.1° | 107.1° |
| O1 | C7 | C8 | 101.5° | 102.6° |
| O1 | C7 | H8 | 112.0° | 113.4° |
| O1 | C9 | C4 | 109.8° | 107.5° |
| O1 | C9 | O | 105.4° | 105.9° |
| O1 | C9 | H11 | 111.2° | 112.2° |
| C6 | C7 | C8 | 113.2° | 107.7° |
| C7 | C6 | H4 | 109.0° | 109.7° |
| C6 | C7 | H8 | 110.8° | 112.6° |
| C4 | N | C3 | 115.0° | 111.0° |
| N | C4 | C9 | 109.5° | 109.6° |
| N | C4 | H2 | 108.6° | 109.6° |
| N | C3 | C | 105.8° | 104.6° |
| N | C3 | H18 | 110.4° | 110.5° |
| N | C3 | H19 | 110.4° | 110.4° |
| C7 | C8 | O | 104.8° | 104.9° |
| C8 | C7 | H8 | 110.8° | 112.7° |
| C7 | C8 | H9 | 110.6° | 110.3° |
| C7 | C8 | H10 | 110.6° | 110.4° |
| C4 | C9 | O | 110.1° | 108.2° |
| C9 | C4 | H2 | 108.1° | 109.5° |
| C4 | C9 | H11 | 109.0° | 111.4° |
| C | C3 | H18 | 110.4° | 110.4° |
| C | C3 | H19 | 110.4° | 110.5° |
| C3 | C | H20 | 111.2° | 110.3° |
| C3 | C | H21 | 111.2° | 110.3° |
| C9 | O | C8 | 105.7° | 107.0° |
| O | C9 | H11 | 111.3° | 111.4° |
| O | C8 | H9 | 110.7° | 110.3° |
| O | C8 | H10 | 110.6° | 110.4° |
| H5 | N1 | H6 | 109.5° | 111.0° |
| H9 | C8 | H10 | 109.5° | 110.4° |
| H12 | C10 | H13 | 109.5° | 109.4° |
| H15 | C1 | H16 | 109.5° | 110.4° |
| H18 | C3 | H19 | 109.5° | 110.3° |
| H20 | C | H21 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C10 | C2 | H12 | 120.2° | 120.1° |
| O3 | C10 | C2 | H13 | 120.2° | 120.0° |
| O3 | C10 | C2 | C1 | 128.1° | 56.3° |
| O3 | C10 | C2 | N | 115.5° | 58.8° |
| O3 | C10 | H12 | H13 | 119.4° | 119.9° |
| O3 | C10 | C2 | H14 | 6.5° | 178.7° |
| C10 | C2 | C1 | N | 122.2° | 118.7° |
| C10 | C2 | C1 | H14 | 121.7° | 122.3° |
| C10 | C2 | N | H14 | 122.0° | 122.4° |
| C10 | C2 | C1 | C | 90.9° | 142.6° |
| C10 | C2 | N | C4 | 116.3° | 82.2° |
| C10 | C2 | N | C3 | 112.5° | 158.2° |
| C2 | C10 | O3 | H1 | 180.0° | 180.0° |
| C2 | C10 | H12 | H13 | 119.4° | 120.0° |
| C10 | C2 | C1 | H15 | 28.4° | 23.7° |
| C10 | C2 | C1 | H16 | 149.9° | 98.6° |
| N1 | C6 | C5 | O2 | 81.0° | 172.3° |
| N1 | C6 | C5 | C7 | 120.8° | 119.7° |
| N1 | C6 | C5 | H4 | 119.5° | 120.6° |
| N1 | C6 | C5 | C4 | 165.7° | 67.7° |
| N1 | C6 | C7 | O1 | 103.4° | 55.0° |
| N1 | C6 | C7 | H4 | 119.8° | 120.6° |
| N1 | C6 | C7 | C8 | 144.9° | 164.7° |
| N1 | C6 | C5 | H3 | 43.7° | 52.3° |
| C6 | N1 | H5 | H6 | 120.0° | 124.0° |
| N1 | C6 | C7 | H8 | 19.7° | 70.4° |
| C1 | C2 | N | H14 | 116.1° | 118.9° |
| C2 | C1 | C | H15 | 119.3° | 119.0° |
| C2 | C1 | C | H16 | 119.2° | 118.8° |
| C1 | C2 | N | C4 | 121.7° | 159.1° |
| C1 | C2 | N | C3 | 9.4° | 39.5° |
| C2 | C1 | C | C3 | 41.6° | 0.0° |
| C1 | C2 | C10 | H12 | 111.7° | 63.7° |
| C1 | C2 | C10 | H13 | 7.9° | 176.3° |
| C2 | C1 | H15 | H16 | 122.2° | 122.2° |
| C2 | C1 | C | H20 | 77.3° | 118.9° |
| C2 | C1 | C | H21 | 160.5° | 118.8° |
| C2 | N | C4 | C5 | 59.5° | 175.2° |
| N | C2 | C1 | C | 31.3° | 23.9° |
| C2 | N | C4 | C3 | 127.3° | 115.4° |
| C2 | N | C4 | C9 | 61.8° | 55.7° |
| C2 | N | C3 | C | 16.0° | 39.5° |
| C2 | N | C4 | H2 | 179.6° | 64.5° |
| N | C2 | C10 | H12 | 4.7° | 178.8° |
| N | C2 | C10 | H13 | 124.3° | 61.2° |
| N | C2 | C1 | H15 | 150.6° | 95.0° |
| N | C2 | C1 | H16 | 87.9° | 142.7° |
| C2 | N | C3 | H18 | 103.4° | 79.3° |
| C2 | N | C3 | H19 | 135.4° | 158.4° |
| O2 | C5 | C6 | C4 | 113.2° | 120.0° |
| O2 | C5 | C6 | H3 | 124.7° | 120.1° |
| O2 | C5 | C4 | H3 | 121.3° | 120.0° |
| O2 | C5 | C6 | C7 | 158.2° | 67.9° |
| O2 | C5 | C4 | N | 71.6° | 171.7° |
| O2 | C5 | C4 | C9 | 166.1° | 68.4° |
| O2 | C5 | C4 | H2 | 49.5° | 51.4° |
| O2 | C5 | C6 | H4 | 38.5° | 51.8° |
| C6 | C5 | C4 | H3 | 122.5° | 120.0° |
| C5 | C6 | C7 | O1 | 17.1° | 64.7° |
| C5 | C6 | C7 | H4 | 119.7° | 119.7° |
| C6 | C5 | C4 | N | 172.1° | 68.3° |
| C5 | C6 | C7 | C8 | 94.5° | 45.0° |
| C6 | C5 | C4 | C9 | 49.9° | 51.6° |
| C6 | C5 | C4 | H2 | 66.7° | 171.3° |
| C5 | C6 | N1 | H5 | 180.0° | 180.0° |
| C5 | C6 | N1 | H6 | 60.0° | 56.0° |
| C5 | C6 | C7 | H8 | 140.3° | 169.9° |
| C6 | C5 | O2 | H22 | 180.0° | 60.0° |
| C5 | C4 | C9 | O1 | 8.1° | 63.9° |
| C4 | C5 | C6 | C7 | 44.9° | 52.0° |
| C5 | C4 | N | C9 | 121.3° | 119.5° |
| C5 | C4 | N | H2 | 120.9° | 120.3° |
| C5 | C4 | N | C3 | 173.1° | 69.4° |
| C5 | C4 | C9 | H2 | 116.6° | 119.8° |
| C5 | C4 | C9 | O | 107.5° | 50.0° |
| C4 | C5 | C6 | H4 | 74.7° | 171.7° |
| C5 | C4 | C9 | H11 | 130.1° | 172.8° |
| C4 | C5 | O2 | H22 | 63.5° | 179.8° |
| C1 | C | C3 | N | 35.3° | 23.9° |
| C1 | C | C3 | H20 | 118.9° | 118.9° |
| C1 | C | C3 | H21 | 118.9° | 118.9° |
| C | C1 | C2 | H14 | 147.4° | 95.0° |
| C | C1 | H15 | H16 | 122.2° | 122.1° |
| C1 | C | C3 | H18 | 84.1° | 95.0° |
| C1 | C | C3 | H19 | 154.7° | 142.7° |
| C1 | C | H20 | H21 | 123.2° | 122.2° |
| O1 | C7 | C6 | C8 | 111.6° | 109.7° |
| O1 | C7 | C6 | H8 | 123.1° | 125.4° |
| O1 | C7 | C8 | H8 | 119.1° | 122.3° |
| C7 | O1 | C9 | C4 | 72.1° | 74.7° |
| C7 | O1 | C9 | O | 46.4° | 40.8° |
| O1 | C7 | C8 | O | 21.9° | 22.7° |
| O1 | C7 | C6 | H4 | 136.8° | 175.6° |
| O1 | C7 | C8 | H9 | 97.4° | 96.1° |
| O1 | C7 | C8 | H10 | 141.1° | 141.6° |
| C7 | O1 | C9 | H11 | 167.1° | 162.5° |
| C9 | O1 | C7 | C6 | 78.7° | 75.1° |
| O1 | C9 | C4 | N | 117.3° | 56.1° |
| C9 | O1 | C7 | C8 | 40.7° | 38.1° |
| O1 | C9 | C4 | O | 115.6° | 113.9° |
| O1 | C9 | C4 | H11 | 122.1° | 123.3° |
| O1 | C9 | O | H11 | 120.7° | 122.2° |
| O1 | C9 | O | C8 | 32.0° | 26.0° |
| O1 | C9 | C4 | H2 | 124.6° | 176.3° |
| C9 | O1 | C7 | H8 | 159.0° | 160.0° |
| C6 | C7 | C8 | H8 | 125.2° | 124.8° |
| C6 | C7 | C8 | O | 93.8° | 90.1° |
| C7 | C6 | C5 | H3 | 77.1° | 172.0° |
| C7 | C6 | N1 | H5 | 58.9° | 61.0° |
| C7 | C6 | N1 | H6 | 61.2° | 63.0° |
| C6 | C7 | C8 | H9 | 147.0° | 151.1° |
| C6 | C7 | C8 | H10 | 25.5° | 28.8° |
| N | C4 | C9 | H2 | 118.1° | 120.2° |
| C4 | N | C3 | C | 148.5° | 159.1° |
| N | C4 | C9 | O | 127.2° | 170.0° |
| N | C4 | C5 | H3 | 49.7° | 51.7° |
| N | C4 | C9 | H11 | 4.8° | 67.2° |
| C4 | N | C2 | H14 | 5.6° | 40.2° |
| C4 | N | C3 | H18 | 29.0° | 40.2° |
| C4 | N | C3 | H19 | 92.1° | 82.1° |
| C3 | N | C4 | C9 | 65.5° | 171.1° |
| N | C3 | C | H18 | 119.4° | 118.9° |
| N | C3 | C | H19 | 119.4° | 118.8° |
| C3 | N | C4 | H2 | 52.3° | 50.9° |
| C3 | N | C2 | H14 | 125.5° | 79.3° |
| N | C3 | H18 | H19 | 121.7° | 122.3° |
| N | C3 | C | H20 | 83.6° | 95.0° |
| N | C3 | C | H21 | 154.2° | 142.7° |
| C7 | C8 | O | C9 | 5.4° | 1.7° |
| C7 | C8 | O | H9 | 119.2° | 118.9° |
| C7 | C8 | O | H10 | 119.2° | 118.9° |
| C8 | C7 | C6 | H4 | 25.2° | 74.7° |
| C7 | C8 | H9 | H10 | 122.2° | 122.2° |
| C4 | C9 | O | H11 | 121.0° | 122.8° |
| C4 | C9 | O | C8 | 86.3° | 89.0° |
| C9 | C4 | C5 | H3 | 72.6° | 171.6° |
| C3 | C | C1 | H15 | 160.9° | 118.9° |
| C3 | C | C1 | H16 | 77.6° | 118.9° |
| C | C3 | H18 | H19 | 121.7° | 122.4° |
| C3 | C | H20 | H21 | 123.2° | 122.2° |
| O | C9 | C4 | H2 | 9.1° | 69.8° |
| C9 | O | C8 | H9 | 124.6° | 120.6° |
| C9 | O | C8 | H10 | 113.9° | 117.2° |
| O | C8 | C7 | H8 | 141.0° | 145.1° |
| O | C8 | H9 | H10 | 122.2° | 122.2° |
| C8 | O | C9 | H11 | 152.7° | 148.2° |
| H1 | O3 | C10 | H12 | 59.8° | 59.9° |
| H1 | O3 | C10 | H13 | 59.8° | 60.0° |
| H2 | C4 | C5 | H3 | 170.8° | 68.7° |
| H2 | C4 | C9 | H11 | 113.3° | 53.0° |
| H3 | C5 | C6 | H4 | 163.2° | 68.3° |
| H3 | C5 | O2 | H22 | 56.2° | 60.1° |
| H4 | C6 | N1 | H5 | 60.7° | 59.6° |
| H4 | C6 | N1 | H6 | 179.3° | 176.4° |
| H4 | C6 | C7 | H8 | 100.1° | 50.2° |
| H8 | C7 | C8 | H9 | 21.8° | 26.2° |
| H8 | C7 | C8 | H10 | 99.7° | 96.0° |
| H12 | C10 | C2 | H14 | 126.6° | 58.7° |
| H13 | C10 | C2 | H14 | 113.8° | 61.3° |
| H14 | C2 | C1 | H15 | 93.3° | 146.1° |
| H14 | C2 | C1 | H16 | 28.2° | 23.8° |
| H15 | C1 | C | H20 | 42.0° | 0.0° |
| H15 | C1 | C | H21 | 80.3° | 122.2° |
| H16 | C1 | C | H20 | 163.5° | 122.2° |
| H16 | C1 | C | H21 | 41.2° | 0.0° |
| H18 | C3 | C | H20 | 157.0° | 146.1° |
| H18 | C3 | C | H21 | 34.7° | 23.9° |
| H19 | C3 | C | H20 | 35.9° | 23.8° |
| H19 | C3 | C | H21 | 86.4° | 98.5° |
