O93
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O05 | C03 | doub | 1.21Å | 1.25Å | |
| C20 | N18 | sing | 1.47Å | 1.45Å | |
| N01 | C02 | sing | 1.47Å | 1.43Å | |
| C03 | O04 | sing | 1.34Å | 1.25Å | |
| C03 | C02 | sing | 1.51Å | 1.54Å | |
| N18 | C17 | sing | 1.47Å | 1.47Å | |
| N18 | C19 | sing | 1.47Å | 1.42Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C02 | C16 | sing | 1.53Å | 1.54Å | |
| C02 | C06 | sing | 1.53Å | 1.55Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C06 | C07 | sing | 1.53Å | 1.51Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C07 | C14 | sing | 1.53Å | 1.52Å | |
| C07 | C08 | sing | 1.53Å | 1.54Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C09 | B10 | sing | 1.60Å | 1.68Å | |
| O12 | B10 | sing | 1.37Å | 1.68Å | |
| O11 | B10 | sing | 1.37Å | 1.69Å | |
| B10 | O13 | sing | 1.37Å | 1.69Å | |
| C06 | H1 | sing | 1.09Å | 1.10Å | |
| C06 | H2 | sing | 1.09Å | 1.10Å | |
| C07 | H3 | sing | 1.09Å | 1.10Å | |
| C08 | H4 | sing | 1.09Å | 1.10Å | |
| C08 | H5 | sing | 1.09Å | 1.10Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| N01 | H21 | sing | 1.01Å | 1.00Å | |
| N01 | H22 | sing | 1.01Å | 1.00Å | |
| O04 | H25 | sing | 0.97Å | 0.95Å | |
| O11 | H26 | sing | 0.97Å | 0.95Å | |
| O12 | H27 | sing | 0.97Å | 0.95Å | |
| O13 | H28 | sing | 0.97Å | 0.95Å | |
| O12 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O05 | C03 | O04 | 119.8° | 120.0° |
| O05 | C03 | C02 | 119.6° | 120.0° |
| C20 | N18 | C17 | 109.1° | 111.0° |
| C20 | N18 | C19 | 107.7° | 111.0° |
| N18 | C20 | H18 | 109.5° | 109.5° |
| N18 | C20 | H19 | 109.5° | 109.5° |
| N18 | C20 | H20 | 109.4° | 109.4° |
| N01 | C02 | C03 | 98.3° | 109.4° |
| N01 | C02 | C16 | 111.9° | 109.5° |
| N01 | C02 | C06 | 111.2° | 109.4° |
| C02 | N01 | H21 | 109.5° | 111.0° |
| C02 | N01 | H22 | 109.5° | 111.0° |
| O04 | C03 | C02 | 120.6° | 120.0° |
| C03 | O04 | H25 | 109.5° | 117.0° |
| C03 | C02 | C16 | 112.7° | 109.5° |
| C03 | C02 | C06 | 111.5° | 109.5° |
| C17 | N18 | C19 | 110.2° | 111.0° |
| N18 | C17 | C16 | 111.8° | 109.5° |
| N18 | C17 | H13 | 108.9° | 109.5° |
| N18 | C17 | H14 | 108.9° | 109.5° |
| N18 | C19 | H15 | 109.5° | 109.5° |
| N18 | C19 | H16 | 109.4° | 109.5° |
| N18 | C19 | H17 | 109.4° | 109.5° |
| C17 | C16 | C02 | 109.7° | 109.5° |
| C17 | C16 | C15 | 109.0° | 109.5° |
| C17 | C16 | H12 | 108.2° | 109.5° |
| C16 | C17 | H13 | 108.9° | 109.5° |
| C16 | C17 | H14 | 108.9° | 109.4° |
| C16 | C02 | C06 | 110.8° | 109.5° |
| C02 | C16 | C15 | 112.9° | 109.4° |
| C02 | C16 | H12 | 108.3° | 109.5° |
| C02 | C06 | C07 | 112.3° | 109.5° |
| C02 | C06 | H1 | 108.8° | 109.5° |
| C02 | C06 | H2 | 108.8° | 109.5° |
| C16 | C15 | C14 | 113.6° | 109.5° |
| C16 | C15 | H10 | 108.4° | 109.5° |
| C16 | C15 | H11 | 108.5° | 109.5° |
| C15 | C16 | H12 | 108.5° | 109.5° |
| C06 | C07 | C14 | 113.0° | 109.4° |
| C06 | C07 | C08 | 108.4° | 109.5° |
| C07 | C06 | H1 | 108.7° | 109.5° |
| C07 | C06 | H2 | 108.8° | 109.4° |
| C06 | C07 | H3 | 109.2° | 109.5° |
| C15 | C14 | C07 | 113.3° | 109.5° |
| C15 | C14 | H8 | 108.5° | 109.5° |
| C15 | C14 | H9 | 108.5° | 109.4° |
| C14 | C15 | H10 | 108.4° | 109.5° |
| C14 | C15 | H11 | 108.4° | 109.5° |
| C14 | C07 | C08 | 108.4° | 109.5° |
| C14 | C07 | H3 | 109.0° | 109.5° |
| C07 | C14 | H8 | 108.5° | 109.5° |
| C07 | C14 | H9 | 108.5° | 109.5° |
| C07 | C08 | C09 | 111.8° | 109.4° |
| C08 | C07 | H3 | 108.7° | 109.5° |
| C07 | C08 | H4 | 108.9° | 109.5° |
| C07 | C08 | H5 | 108.9° | 109.5° |
| C08 | C09 | B10 | 108.8° | 109.5° |
| C09 | C08 | H4 | 108.9° | 109.5° |
| C09 | C08 | H5 | 108.9° | 109.5° |
| C08 | C09 | H6 | 109.6° | 109.5° |
| C08 | C09 | H7 | 109.6° | 109.5° |
| C09 | B10 | O12 | 109.1° | 109.5° |
| C09 | B10 | O11 | 109.8° | 109.4° |
| C09 | B10 | O13 | 109.6° | 109.5° |
| B10 | C09 | H6 | 109.6° | 109.5° |
| B10 | C09 | H7 | 109.6° | 109.5° |
| O12 | B10 | O11 | 109.5° | 109.5° |
| O12 | B10 | O13 | 109.3° | 109.5° |
| B10 | O12 | H27 | 109.5° | 113.9° |
| B10 | O12 | H23 | 109.4° | 114.0° |
| O11 | B10 | O13 | 109.5° | 109.5° |
| B10 | O11 | H26 | 109.5° | 114.0° |
| B10 | O13 | H28 | 109.5° | 114.0° |
| H1 | C06 | H2 | 109.5° | 109.5° |
| H4 | C08 | H5 | 109.5° | 109.5° |
| H6 | C09 | H7 | 109.4° | 109.4° |
| H8 | C14 | H9 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.5° | 109.5° |
| H13 | C17 | H14 | 109.5° | 109.4° |
| H15 | C19 | H16 | 109.5° | 109.5° |
| H15 | C19 | H17 | 109.5° | 109.4° |
| H16 | C19 | H17 | 109.5° | 109.5° |
| H18 | C20 | H19 | 109.5° | 109.5° |
| H18 | C20 | H20 | 109.5° | 109.4° |
| H19 | C20 | H20 | 109.5° | 109.5° |
| H21 | N01 | H22 | 109.4° | 111.0° |
| H27 | O12 | H23 | 109.5° | 114.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O05 | C03 | C02 | N01 | 20.5° | 140.1° |
| O05 | C03 | O04 | C02 | 179.8° | 180.0° |
| O05 | C03 | C02 | C16 | 138.5° | 99.9° |
| O05 | C03 | C02 | C06 | 96.2° | 20.1° |
| O05 | C03 | O04 | H25 | 0.0° | 0.1° |
| C20 | N18 | C17 | C19 | 118.1° | 124.0° |
| C20 | N18 | C17 | C16 | 162.8° | 75.9° |
| C20 | N18 | C17 | H13 | 42.5° | 164.1° |
| C20 | N18 | C17 | H14 | 76.8° | 44.1° |
| C20 | N18 | C19 | H15 | 180.0° | 55.2° |
| C20 | N18 | C19 | H16 | 60.0° | 175.2° |
| C20 | N18 | C19 | H17 | 60.0° | 64.8° |
| N18 | C20 | H18 | H19 | 120.0° | 120.1° |
| N18 | C20 | H18 | H20 | 120.0° | 120.0° |
| N18 | C20 | H19 | H20 | 119.9° | 120.0° |
| N01 | C02 | C03 | O04 | 159.7° | 39.9° |
| N01 | C02 | C03 | C16 | 118.0° | 120.0° |
| N01 | C02 | C03 | C06 | 116.7° | 120.0° |
| N01 | C02 | C16 | C17 | 61.3° | 60.0° |
| N01 | C02 | C16 | C06 | 124.7° | 120.0° |
| N01 | C02 | C16 | C15 | 176.8° | 180.0° |
| N01 | C02 | C06 | C07 | 178.9° | 180.0° |
| N01 | C02 | C06 | H1 | 58.4° | 60.0° |
| N01 | C02 | C06 | H2 | 60.7° | 60.0° |
| N01 | C02 | C16 | H12 | 56.7° | 60.0° |
| C02 | N01 | H21 | H22 | 120.0° | 123.9° |
| O04 | C03 | C02 | C16 | 41.7° | 80.1° |
| O04 | C03 | C02 | C06 | 83.6° | 159.9° |
| C03 | C02 | C16 | C17 | 48.4° | 60.0° |
| C03 | C02 | C16 | C06 | 125.7° | 120.0° |
| C03 | C02 | C16 | C15 | 73.5° | 60.0° |
| C03 | C02 | C06 | C07 | 72.6° | 60.0° |
| C03 | C02 | C06 | H1 | 167.0° | 180.0° |
| C03 | C02 | C06 | H2 | 47.9° | 60.0° |
| C03 | C02 | C16 | H12 | 166.4° | 180.0° |
| C03 | C02 | N01 | H21 | 180.0° | 60.0° |
| C03 | C02 | N01 | H22 | 60.0° | 176.1° |
| C02 | C03 | O04 | H25 | 179.8° | 179.9° |
| N18 | C17 | C16 | H13 | 120.3° | 120.1° |
| N18 | C17 | C16 | H14 | 120.3° | 120.0° |
| N18 | C17 | C16 | C02 | 125.4° | 176.4° |
| N18 | C17 | C16 | C15 | 110.4° | 63.6° |
| N18 | C17 | C16 | H12 | 7.4° | 56.4° |
| N18 | C17 | H13 | H14 | 118.9° | 120.0° |
| C17 | N18 | C19 | H15 | 61.1° | 179.1° |
| C17 | N18 | C19 | H16 | 58.9° | 60.9° |
| C17 | N18 | C19 | H17 | 178.9° | 59.1° |
| C17 | N18 | C20 | H18 | 180.0° | 60.0° |
| C17 | N18 | C20 | H19 | 60.0° | 180.0° |
| C17 | N18 | C20 | H20 | 60.0° | 60.0° |
| C19 | N18 | C17 | C16 | 79.1° | 160.2° |
| C19 | N18 | C17 | H13 | 160.6° | 40.1° |
| C19 | N18 | C17 | H14 | 41.3° | 79.9° |
| N18 | C19 | H15 | H16 | 120.0° | 120.0° |
| N18 | C19 | H15 | H17 | 120.0° | 120.0° |
| N18 | C19 | H16 | H17 | 120.0° | 120.0° |
| C19 | N18 | C20 | H18 | 60.3° | 176.0° |
| C19 | N18 | C20 | H19 | 59.7° | 56.0° |
| C19 | N18 | C20 | H20 | 179.6° | 64.0° |
| C17 | C16 | C02 | C15 | 121.9° | 120.0° |
| C17 | C16 | C02 | H12 | 117.9° | 120.0° |
| C17 | C16 | C02 | C06 | 174.1° | 180.0° |
| C17 | C16 | C15 | H12 | 117.7° | 120.0° |
| C17 | C16 | C15 | C14 | 172.2° | 180.0° |
| C17 | C16 | C15 | H10 | 51.6° | 60.0° |
| C17 | C16 | C15 | H11 | 67.2° | 60.0° |
| C16 | C17 | H13 | H14 | 119.0° | 119.9° |
| C02 | C16 | C15 | H12 | 120.0° | 120.0° |
| C16 | C02 | C06 | C07 | 53.8° | 60.0° |
| C02 | C16 | C15 | C14 | 49.9° | 60.0° |
| C16 | C02 | C06 | H1 | 66.6° | 60.0° |
| C16 | C02 | C06 | H2 | 174.2° | 180.0° |
| C02 | C16 | C15 | H10 | 70.7° | 180.0° |
| C02 | C16 | C15 | H11 | 170.5° | 60.0° |
| C02 | C16 | C17 | H13 | 5.1° | 63.5° |
| C02 | C16 | C17 | H14 | 114.2° | 56.4° |
| C16 | C02 | N01 | H21 | 61.4° | 179.9° |
| C16 | C02 | N01 | H22 | 58.6° | 56.0° |
| C06 | C02 | C16 | C15 | 52.2° | 60.0° |
| C02 | C06 | C07 | H1 | 120.4° | 120.0° |
| C02 | C06 | C07 | H2 | 120.4° | 120.0° |
| C02 | C06 | C07 | C14 | 53.0° | 60.0° |
| C02 | C06 | C07 | C08 | 173.2° | 180.0° |
| C02 | C06 | H1 | H2 | 118.7° | 120.1° |
| C02 | C06 | C07 | H3 | 68.5° | 60.0° |
| C06 | C02 | C16 | H12 | 68.0° | 60.0° |
| C06 | C02 | N01 | H21 | 63.1° | 60.0° |
| C06 | C02 | N01 | H22 | 177.0° | 63.9° |
| C16 | C15 | C14 | H10 | 120.6° | 120.0° |
| C16 | C15 | C14 | H11 | 120.6° | 120.0° |
| C16 | C15 | C14 | C07 | 48.2° | 60.0° |
| C16 | C15 | C14 | H8 | 168.7° | 60.0° |
| C16 | C15 | C14 | H9 | 72.4° | 180.0° |
| C16 | C15 | H10 | H11 | 118.2° | 120.0° |
| C15 | C16 | C17 | H13 | 129.3° | 56.4° |
| C15 | C16 | C17 | H14 | 9.9° | 176.4° |
| C06 | C07 | C14 | C15 | 49.8° | 60.0° |
| C06 | C07 | C14 | C08 | 120.2° | 120.0° |
| C06 | C07 | C14 | H3 | 121.6° | 120.0° |
| C06 | C07 | C08 | H3 | 118.6° | 120.0° |
| C06 | C07 | C08 | C09 | 89.0° | 175.0° |
| C07 | C06 | H1 | H2 | 118.7° | 119.9° |
| C06 | C07 | C08 | H4 | 150.7° | 65.0° |
| C06 | C07 | C08 | H5 | 31.4° | 55.0° |
| C06 | C07 | C14 | H8 | 170.4° | 60.0° |
| C06 | C07 | C14 | H9 | 70.8° | 180.0° |
| C15 | C14 | C07 | H8 | 120.6° | 120.0° |
| C15 | C14 | C07 | H9 | 120.6° | 119.9° |
| C15 | C14 | C07 | C08 | 170.0° | NaN° |
| C15 | C14 | C07 | H3 | 71.8° | 60.0° |
| C15 | C14 | H8 | H9 | 118.2° | 120.0° |
| C14 | C15 | H10 | H11 | 118.1° | 120.0° |
| C14 | C15 | C16 | H12 | 70.1° | 60.0° |
| C14 | C07 | C08 | H3 | 118.4° | 120.0° |
| C14 | C07 | C08 | C09 | 148.0° | 65.0° |
| C14 | C07 | C06 | H1 | 67.4° | 60.0° |
| C14 | C07 | C06 | H2 | 173.4° | 180.0° |
| C14 | C07 | C08 | H4 | 27.7° | 55.0° |
| C14 | C07 | C08 | H5 | 91.6° | 175.0° |
| C07 | C14 | H8 | H9 | 118.2° | 120.0° |
| C07 | C14 | C15 | H10 | 72.4° | 180.0° |
| C07 | C14 | C15 | H11 | 168.8° | 60.0° |
| C07 | C08 | C09 | H4 | 120.3° | 120.0° |
| C07 | C08 | C09 | H5 | 120.4° | 120.0° |
| C07 | C08 | C09 | B10 | 174.0° | 180.0° |
| C08 | C07 | C06 | H1 | 52.7° | 60.0° |
| C08 | C07 | C06 | H2 | 66.4° | 60.0° |
| C07 | C08 | H4 | H5 | 119.0° | 120.0° |
| C07 | C08 | C09 | H6 | 54.1° | 60.0° |
| C07 | C08 | C09 | H7 | 66.1° | 60.0° |
| C08 | C07 | C14 | H8 | 69.4° | 60.0° |
| C08 | C07 | C14 | H9 | 49.4° | 60.1° |
| C08 | C09 | B10 | H6 | 119.9° | 120.0° |
| C08 | C09 | B10 | H7 | 119.9° | 120.0° |
| C08 | C09 | B10 | O12 | 180.0° | 180.0° |
| C08 | C09 | B10 | O11 | 60.1° | 60.0° |
| C08 | C09 | B10 | O13 | 60.3° | 60.0° |
| C09 | C08 | C07 | H3 | 29.6° | 55.0° |
| C09 | C08 | H4 | H5 | 118.9° | 120.0° |
| C08 | C09 | H6 | H7 | 120.3° | 120.0° |
| C09 | B10 | O12 | O11 | 120.1° | 119.9° |
| C09 | B10 | O12 | O13 | 119.9° | 120.0° |
| C09 | B10 | O11 | O13 | 120.4° | 120.0° |
| B10 | C09 | C08 | H4 | 65.6° | 60.0° |
| B10 | C09 | C08 | H5 | 53.6° | 60.0° |
| B10 | C09 | H6 | H7 | 120.3° | 120.0° |
| C09 | B10 | O11 | H26 | 180.0° | 60.0° |
| C09 | B10 | O12 | H27 | 180.0° | 180.0° |
| C09 | B10 | O13 | H28 | 180.0° | 60.0° |
| C09 | B10 | O12 | H23 | 60.0° | 46.7° |
| O12 | B10 | O11 | O13 | 119.9° | 120.1° |
| O12 | B10 | C09 | H6 | 60.1° | 60.0° |
| O12 | B10 | C09 | H7 | 60.0° | 59.9° |
| O12 | B10 | O11 | H26 | 60.3° | 59.9° |
| B10 | O12 | H27 | H23 | 120.0° | 133.3° |
| O12 | B10 | O13 | H28 | 60.4° | 60.0° |
| O11 | B10 | C09 | H6 | 59.8° | 180.0° |
| O11 | B10 | C09 | H7 | 180.0° | 60.0° |
| O11 | B10 | O12 | H27 | 59.8° | 60.1° |
| O11 | B10 | O13 | H28 | 59.5° | 180.0° |
| O11 | B10 | O12 | H23 | 60.1° | 73.2° |
| O13 | B10 | C09 | H6 | 179.8° | 60.1° |
| O13 | B10 | C09 | H7 | 59.7° | 180.0° |
| O13 | B10 | O11 | H26 | 59.6° | 180.0° |
| O13 | B10 | O12 | H27 | 60.1° | 60.0° |
| O13 | B10 | O12 | H23 | 179.9° | 166.7° |
| H1 | C06 | C07 | H3 | 171.1° | 180.0° |
| H2 | C06 | C07 | H3 | 51.9° | 60.0° |
| H3 | C07 | C08 | H4 | 90.7° | 175.0° |
| H3 | C07 | C08 | H5 | 150.0° | 65.0° |
| H3 | C07 | C14 | H8 | 48.8° | 180.0° |
| H3 | C07 | C14 | H9 | 167.6° | 60.0° |
| H4 | C08 | C09 | H6 | 174.4° | 60.0° |
| H4 | C08 | C09 | H7 | 54.3° | 180.0° |
| H5 | C08 | C09 | H6 | 66.3° | 180.0° |
| H5 | C08 | C09 | H7 | 173.5° | 60.0° |
| H8 | C14 | C15 | H10 | 48.1° | 60.0° |
| H8 | C14 | C15 | H11 | 70.7° | 180.0° |
| H9 | C14 | C15 | H10 | 167.0° | 60.0° |
| H9 | C14 | C15 | H11 | 48.2° | 60.0° |
| H10 | C15 | C16 | H12 | 169.3° | 60.0° |
| H11 | C15 | C16 | H12 | 50.5° | 180.0° |
| H12 | C16 | C17 | H13 | 112.9° | 176.4° |
| H12 | C16 | C17 | H14 | 127.8° | 63.6° |
| H15 | C19 | H16 | H17 | 120.0° | 120.0° |
| H18 | C20 | H19 | H20 | 120.0° | 119.9° |
