Obsolete: NLC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| C1 | O5 | sing | 1.43Å | 1.46Å | |
| C1 | O1 | sing | 1.43Å | 1.41Å | |
| C2 | C3 | sing | 1.53Å | 1.47Å | |
| C2 | N | sing | 1.46Å | 1.45Å | |
| N | C7 | sing | 1.35Å | 1.30Å | |
| C7 | O7 | doub | 1.21Å | 1.24Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.46Å | |
| C3 | O3 | sing | 1.43Å | 1.48Å | |
| C4 | O4 | sing | 1.43Å | 1.45Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| O4 | C10 | sing | 1.43Å | 1.47Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | O5 | sing | 1.43Å | 1.41Å | |
| C6 | O6 | sing | 1.43Å | 1.44Å | |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| C12 | C10 | sing | 1.53Å | 1.48Å | |
| C12 | O12 | sing | 1.43Å | 1.43Å | |
| C13 | C14 | sing | 1.53Å | 1.48Å | |
| C13 | O13 | sing | 1.43Å | 1.42Å | |
| C14 | O40 | sing | 1.43Å | 1.45Å | |
| C14 | C15 | sing | 1.53Å | 1.50Å | |
| C15 | C16 | sing | 1.53Å | 1.48Å | |
| C15 | O15 | sing | 1.43Å | 1.55Å | |
| C16 | O16 | sing | 1.43Å | 1.42Å | |
| C10 | O15 | sing | 1.43Å | 1.40Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | HA | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| C8 | H8C3 | sing | 1.09Å | 1.10Å | |
| C8 | H8C1 | sing | 1.09Å | 1.10Å | |
| C8 | H8C2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HB | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6C1 | sing | 1.09Å | 1.10Å | |
| C6 | H6C2 | sing | 1.09Å | 1.10Å | |
| O6 | H6 | sing | 0.97Å | 0.95Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| O12 | HD | sing | 0.97Å | 0.95Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| O13 | HC | sing | 0.97Å | 0.95Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| O16 | H16 | sing | 0.97Å | 0.95Å | |
| O40 | H40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O5 | 108.4° | 109.4° |
| C2 | C1 | O1 | 112.4° | 109.5° |
| C1 | C2 | C3 | 109.1° | 109.2° |
| C1 | C2 | N | 107.9° | 109.5° |
| C2 | C1 | H1 | 108.0° | 109.5° |
| C1 | C2 | H2 | 108.5° | 109.5° |
| O5 | C1 | O1 | 108.8° | 109.4° |
| C1 | O5 | C5 | 112.5° | 114.1° |
| O5 | C1 | H1 | 109.2° | 109.5° |
| O1 | C1 | H1 | 110.0° | 109.5° |
| C1 | O1 | HA | 109.5° | 114.0° |
| C3 | C2 | N | 111.8° | 109.5° |
| C2 | C3 | C4 | 108.4° | 109.0° |
| C2 | C3 | O3 | 106.9° | 109.6° |
| C3 | C2 | H2 | 109.6° | 109.5° |
| C2 | C3 | H3 | 110.2° | 109.6° |
| C2 | N | C7 | 120.6° | 120.0° |
| N | C2 | H2 | 109.9° | 109.6° |
| C2 | N | H | 119.7° | 120.0° |
| N | C7 | O7 | 125.9° | 120.0° |
| N | C7 | C8 | 112.5° | 120.0° |
| C7 | N | H | 119.7° | 120.0° |
| O7 | C7 | C8 | 121.6° | 120.0° |
| C7 | C8 | H8C3 | 109.5° | 109.5° |
| C7 | C8 | H8C1 | 109.5° | 109.5° |
| C7 | C8 | H8C2 | 109.5° | 109.5° |
| C4 | C3 | O3 | 110.9° | 109.5° |
| C3 | C4 | O4 | 108.7° | 109.5° |
| C3 | C4 | C5 | 108.6° | 109.2° |
| C4 | C3 | H3 | 110.3° | 109.6° |
| C3 | C4 | H4 | 110.8° | 109.6° |
| O3 | C3 | H3 | 110.1° | 109.6° |
| C3 | O3 | HB | 109.5° | 114.0° |
| O4 | C4 | C5 | 108.2° | 109.5° |
| C4 | O4 | C10 | 115.6° | 114.0° |
| O4 | C4 | H4 | 111.0° | 109.5° |
| C4 | C5 | C6 | 112.8° | 109.5° |
| C4 | C5 | O5 | 108.3° | 109.4° |
| C5 | C4 | H4 | 109.5° | 109.6° |
| C4 | C5 | H5 | 109.0° | 109.5° |
| O4 | C10 | C12 | 109.9° | 109.4° |
| O4 | C10 | O15 | 108.0° | 109.5° |
| O4 | C10 | H10 | 108.9° | 109.5° |
| C6 | C5 | O5 | 106.2° | 109.5° |
| C5 | C6 | O6 | 107.8° | 109.5° |
| C6 | C5 | H5 | 109.3° | 109.5° |
| C5 | C6 | H6C1 | 109.9° | 109.4° |
| C5 | C6 | H6C2 | 109.9° | 109.5° |
| O5 | C5 | H5 | 111.2° | 109.5° |
| O6 | C6 | H6C1 | 109.9° | 109.5° |
| O6 | C6 | H6C2 | 109.9° | 109.5° |
| C6 | O6 | H6 | 109.5° | 114.0° |
| C13 | C12 | C10 | 110.3° | 109.2° |
| C13 | C12 | O12 | 111.0° | 109.5° |
| C12 | C13 | C14 | 109.7° | 109.0° |
| C12 | C13 | O13 | 104.8° | 109.6° |
| C13 | C12 | H12 | 106.8° | 109.5° |
| C12 | C13 | H13 | 108.7° | 109.5° |
| C10 | C12 | O12 | 112.4° | 109.5° |
| C12 | C10 | O15 | 111.3° | 109.4° |
| C10 | C12 | H12 | 107.8° | 109.5° |
| C12 | C10 | H10 | 108.8° | 109.5° |
| O12 | C12 | H12 | 108.3° | 109.6° |
| C12 | O12 | HD | 109.5° | 114.0° |
| C14 | C13 | O13 | 113.0° | 109.6° |
| C13 | C14 | O40 | 111.5° | 109.5° |
| C13 | C14 | C15 | 110.4° | 109.2° |
| C14 | C13 | H13 | 109.7° | 109.5° |
| C13 | C14 | H14 | 107.2° | 109.5° |
| O13 | C13 | H13 | 110.7° | 109.6° |
| C13 | O13 | HC | 109.5° | 114.0° |
| O40 | C14 | C15 | 112.9° | 109.5° |
| O40 | C14 | H14 | 107.6° | 109.5° |
| C14 | O40 | H40 | 109.5° | 114.0° |
| C14 | C15 | C16 | 118.6° | 109.5° |
| C14 | C15 | O15 | 106.2° | 109.4° |
| C15 | C14 | H14 | 107.0° | 109.6° |
| C14 | C15 | H15 | 108.4° | 109.4° |
| C16 | C15 | O15 | 106.4° | 109.5° |
| C15 | C16 | O16 | 116.0° | 109.5° |
| C16 | C15 | H15 | 108.8° | 109.5° |
| C15 | C16 | H161 | 107.8° | 109.5° |
| C15 | C16 | H162 | 107.8° | 109.5° |
| C15 | O15 | C10 | 113.0° | 114.1° |
| O15 | C15 | H15 | 107.9° | 109.5° |
| O16 | C16 | H161 | 107.8° | 109.5° |
| O16 | C16 | H162 | 107.8° | 109.5° |
| C16 | O16 | H16 | 109.5° | 114.0° |
| O15 | C10 | H10 | 109.9° | 109.5° |
| H8C3 | C8 | H8C1 | 109.5° | 109.5° |
| H8C3 | C8 | H8C2 | 109.4° | 109.5° |
| H8C1 | C8 | H8C2 | 109.5° | 109.5° |
| H6C1 | C6 | H6C2 | 109.4° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O5 | O1 | 122.5° | 119.9° |
| C2 | C1 | O5 | H1 | 117.5° | 120.0° |
| C2 | C1 | O1 | H1 | 120.4° | 120.1° |
| C1 | C2 | C3 | N | 119.2° | 119.9° |
| C1 | C2 | C3 | H2 | 118.7° | 119.9° |
| C1 | C2 | N | H2 | 118.1° | 120.1° |
| C1 | C2 | N | C7 | 91.3° | 85.0° |
| C1 | C2 | C3 | C4 | 61.2° | 57.0° |
| C1 | C2 | C3 | O3 | 179.2° | 176.8° |
| C2 | C1 | O5 | C5 | 59.4° | 61.1° |
| C2 | C1 | O1 | HA | 180.0° | 180.0° |
| C1 | C2 | N | H | 88.7° | 95.1° |
| C1 | C2 | C3 | H3 | 59.6° | 62.9° |
| O5 | C1 | O1 | H1 | 119.6° | 120.0° |
| O5 | C1 | C2 | C3 | 57.9° | 57.6° |
| O5 | C1 | C2 | N | 179.5° | 177.5° |
| C1 | O5 | C5 | C4 | 60.9° | 61.1° |
| C1 | O5 | C5 | C6 | 177.7° | 178.9° |
| O5 | C1 | O1 | HA | 59.9° | 60.1° |
| O5 | C1 | C2 | H2 | 61.5° | 62.3° |
| C1 | O5 | C5 | H5 | 58.9° | 58.9° |
| O1 | C1 | C2 | C3 | 62.4° | 62.3° |
| O1 | C1 | C2 | N | 59.2° | 57.6° |
| O1 | C1 | O5 | C5 | 63.1° | 58.8° |
| O1 | C1 | C2 | H2 | 178.2° | 177.8° |
| C3 | C2 | N | H2 | 121.9° | 120.2° |
| C3 | C2 | N | C7 | 148.8° | 155.3° |
| C2 | C3 | C4 | O3 | 117.1° | 119.9° |
| C2 | C3 | C4 | H3 | 120.7° | 119.9° |
| C2 | C3 | O3 | H3 | 119.7° | 120.2° |
| C2 | C3 | C4 | O4 | 180.0° | 176.9° |
| C2 | C3 | C4 | C5 | 62.5° | 57.0° |
| C3 | C2 | C1 | H1 | 176.1° | 177.6° |
| C3 | C2 | N | H | 31.3° | 24.6° |
| C2 | C3 | O3 | HB | 180.0° | 60.0° |
| C2 | C3 | C4 | H4 | 57.8° | 63.0° |
| C2 | N | C7 | H | 180.0° | 179.9° |
| C2 | N | C7 | O7 | 0.2° | 0.0° |
| C2 | N | C7 | C8 | 179.9° | 180.0° |
| N | C2 | C3 | C4 | 179.6° | 176.9° |
| N | C2 | C3 | O3 | 60.0° | 63.3° |
| N | C2 | C1 | H1 | 62.3° | 62.5° |
| N | C2 | C3 | H3 | 59.6° | 57.0° |
| N | C7 | O7 | C8 | 179.6° | 180.0° |
| C7 | N | C2 | H2 | 26.8° | 35.1° |
| N | C7 | C8 | H8C3 | 179.7° | 89.9° |
| N | C7 | C8 | H8C1 | 60.3° | 150.0° |
| N | C7 | C8 | H8C2 | 59.7° | 30.0° |
| O7 | C7 | N | H | 179.7° | 179.9° |
| O7 | C7 | C8 | H8C3 | 0.0° | 90.0° |
| O7 | C7 | C8 | H8C1 | 120.0° | 30.0° |
| O7 | C7 | C8 | H8C2 | 120.0° | 150.0° |
| C8 | C7 | N | H | 0.1° | 0.1° |
| C7 | C8 | H8C3 | H8C1 | 120.0° | 120.0° |
| C7 | C8 | H8C3 | H8C2 | 120.0° | 120.0° |
| C7 | C8 | H8C1 | H8C2 | 120.0° | 120.0° |
| C4 | C3 | O3 | H3 | 122.4° | 120.2° |
| C3 | C4 | O4 | C5 | 117.7° | 119.7° |
| C3 | C4 | O4 | H4 | 122.1° | 120.2° |
| C3 | C4 | C5 | H4 | 121.1° | 120.0° |
| C3 | C4 | O4 | C10 | 135.8° | 123.0° |
| C3 | C4 | C5 | C6 | 179.1° | 177.6° |
| C3 | C4 | C5 | O5 | 61.9° | 57.6° |
| C4 | C3 | C2 | H2 | 57.5° | 62.9° |
| C4 | C3 | O3 | HB | 62.0° | 179.5° |
| C3 | C4 | C5 | H5 | 59.3° | 62.4° |
| O3 | C3 | C4 | O4 | 62.9° | 63.3° |
| O3 | C3 | C4 | C5 | 179.6° | 176.9° |
| O3 | C3 | C2 | H2 | 62.1° | 56.9° |
| O3 | C3 | C4 | H4 | 59.3° | 56.9° |
| O4 | C4 | C5 | H4 | 121.1° | 120.1° |
| O4 | C4 | C5 | C6 | 63.1° | 62.5° |
| O4 | C4 | C5 | O5 | 179.7° | 177.5° |
| C4 | O4 | C10 | C12 | 173.4° | 175.4° |
| C4 | O4 | C10 | O15 | 65.0° | 64.7° |
| O4 | C4 | C3 | H3 | 59.3° | 57.0° |
| O4 | C4 | C5 | H5 | 58.6° | 57.5° |
| C4 | O4 | C10 | H10 | 54.3° | 55.4° |
| C5 | C4 | O4 | C10 | 106.4° | 117.3° |
| C4 | C5 | C6 | O5 | 118.5° | 119.9° |
| C4 | C5 | C6 | H5 | 121.5° | 120.1° |
| C4 | C5 | O5 | H5 | 119.8° | 120.0° |
| C4 | C5 | C6 | O6 | 60.4° | 174.7° |
| C5 | C4 | C3 | H3 | 58.2° | 62.9° |
| C4 | C5 | C6 | H6C1 | 179.8° | 54.7° |
| C4 | C5 | C6 | H6C2 | 59.3° | 65.3° |
| O4 | C10 | C12 | C13 | 174.9° | 177.6° |
| O4 | C10 | C12 | O15 | 119.7° | 120.0° |
| O4 | C10 | C12 | H10 | 119.2° | 120.0° |
| O4 | C10 | C12 | O12 | 60.7° | 62.5° |
| O4 | C10 | O15 | C15 | 179.4° | 178.9° |
| O4 | C10 | O15 | H10 | 118.7° | 120.1° |
| C10 | O4 | C4 | H4 | 13.7° | 2.8° |
| O4 | C10 | C12 | H12 | 58.6° | 57.7° |
| C6 | C5 | O5 | H5 | 118.8° | 120.0° |
| C5 | C6 | O6 | H6C1 | 119.8° | 120.0° |
| C5 | C6 | O6 | H6C2 | 119.7° | 120.0° |
| C6 | C5 | C4 | H4 | 58.0° | 57.6° |
| C5 | C6 | H6C1 | H6C2 | 120.8° | 120.0° |
| C5 | C6 | O6 | H6 | 180.0° | 180.0° |
| O5 | C5 | C6 | O6 | 58.1° | 65.3° |
| C5 | O5 | C1 | H1 | 176.8° | 178.9° |
| O5 | C5 | C4 | H4 | 59.2° | 62.3° |
| O5 | C5 | C6 | H6C1 | 61.7° | 174.7° |
| O5 | C5 | C6 | H6C2 | 177.8° | 54.6° |
| O6 | C6 | C5 | H5 | 178.1° | 54.6° |
| O6 | C6 | H6C1 | H6C2 | 120.8° | 120.0° |
| C13 | C12 | C10 | O12 | 124.4° | 119.9° |
| C13 | C12 | C10 | H12 | 116.3° | 119.9° |
| C13 | C12 | O12 | H12 | 117.0° | 120.1° |
| C12 | C13 | C14 | O13 | 116.5° | 119.9° |
| C12 | C13 | C14 | H13 | 119.4° | 119.8° |
| C12 | C13 | O13 | H13 | 117.0° | 120.2° |
| C12 | C13 | C14 | O40 | 67.4° | 62.9° |
| C12 | C13 | C14 | C15 | 59.0° | 56.9° |
| C13 | C12 | C10 | O15 | 55.3° | 57.6° |
| C13 | C12 | O12 | HD | 180.0° | 180.0° |
| C12 | C13 | O13 | HC | 180.0° | 59.9° |
| C12 | C13 | C14 | H14 | 175.1° | 176.9° |
| C13 | C12 | C10 | H10 | 65.9° | 62.4° |
| C10 | C12 | O12 | H12 | 119.0° | 120.2° |
| C10 | C12 | C13 | C14 | 54.8° | 57.0° |
| C10 | C12 | C13 | O13 | 176.4° | 176.9° |
| C12 | C10 | O15 | C15 | 59.8° | 61.2° |
| C12 | C10 | O15 | H10 | 120.5° | 120.0° |
| C10 | C12 | O12 | HD | 56.0° | 60.3° |
| C10 | C12 | C13 | H13 | 65.2° | 62.9° |
| O12 | C12 | C13 | C14 | 180.0° | 176.9° |
| O12 | C12 | C13 | O13 | 58.4° | 63.2° |
| O12 | C12 | C10 | O15 | 179.7° | 177.5° |
| O12 | C12 | C13 | H13 | 60.0° | 57.1° |
| O12 | C12 | C10 | H10 | 58.5° | 57.5° |
| C14 | C13 | O13 | H13 | 123.6° | 120.2° |
| C13 | C14 | O40 | C15 | 124.9° | 119.7° |
| C13 | C14 | O40 | H14 | 117.3° | 120.1° |
| C13 | C14 | C15 | H14 | 116.3° | 120.0° |
| C13 | C14 | C15 | C16 | 179.3° | 177.6° |
| C13 | C14 | C15 | O15 | 59.7° | 57.5° |
| C14 | C13 | C12 | H12 | 62.1° | 63.0° |
| C14 | C13 | O13 | HC | 60.6° | 179.5° |
| C13 | C14 | C15 | H15 | 56.0° | 62.4° |
| C13 | C14 | O40 | H40 | 180.0° | 60.0° |
| O13 | C13 | C14 | O40 | 49.1° | 57.0° |
| O13 | C13 | C14 | C15 | 175.5° | 176.9° |
| O13 | C13 | C12 | H12 | 59.5° | 56.9° |
| O13 | C13 | C14 | H14 | 68.4° | 63.1° |
| O40 | C14 | C15 | H14 | 118.2° | 120.1° |
| O40 | C14 | C15 | C16 | 53.8° | 57.7° |
| O40 | C14 | C15 | O15 | 65.8° | 62.3° |
| O40 | C14 | C13 | H13 | 173.2° | 177.3° |
| O40 | C14 | C15 | H15 | 178.4° | 177.7° |
| C14 | C15 | C16 | O15 | 119.5° | 120.0° |
| C14 | C15 | C16 | H15 | 124.5° | 120.0° |
| C14 | C15 | O15 | H15 | 116.1° | 119.9° |
| C14 | C15 | C16 | O16 | 179.1° | 175.0° |
| C14 | C15 | O15 | C10 | 61.0° | 61.2° |
| C15 | C14 | C13 | H13 | 60.5° | 62.9° |
| C14 | C15 | C16 | H161 | 60.0° | 54.9° |
| C14 | C15 | C16 | H162 | 58.1° | 65.0° |
| C15 | C14 | O40 | H40 | 55.1° | 179.7° |
| C16 | C15 | O15 | H15 | 116.6° | 120.1° |
| C15 | C16 | O16 | H161 | 120.9° | 120.1° |
| C15 | C16 | O16 | H162 | 120.9° | 120.0° |
| C16 | C15 | O15 | C10 | 171.7° | 178.8° |
| C16 | C15 | C14 | H14 | 64.4° | 62.4° |
| C15 | C16 | H161 | H162 | 117.0° | 120.0° |
| C15 | C16 | O16 | H16 | 180.0° | 180.0° |
| O15 | C15 | C16 | O16 | 59.6° | 65.1° |
| O15 | C15 | C14 | H14 | 176.0° | 177.5° |
| O15 | C15 | C16 | H161 | 179.5° | 174.9° |
| O15 | C15 | C16 | H162 | 61.4° | 54.9° |
| C15 | O15 | C10 | H10 | 60.7° | 58.8° |
| O16 | C16 | C15 | H15 | 56.5° | 55.0° |
| O16 | C16 | H161 | H162 | 117.1° | 120.0° |
| O15 | C10 | C12 | H12 | 61.0° | 62.3° |
| C10 | O15 | C15 | H15 | 55.1° | 58.8° |
| H1 | C1 | O1 | HA | 59.6° | 59.9° |
| H1 | C1 | C2 | H2 | 56.7° | 57.6° |
| H2 | C2 | N | H | 153.2° | 144.8° |
| H2 | C2 | C3 | H3 | 178.2° | 177.2° |
| H8C3 | C8 | H8C1 | H8C2 | 119.9° | 120.0° |
| H3 | C3 | O3 | HB | 60.3° | 60.2° |
| H3 | C3 | C4 | H4 | 178.5° | 177.1° |
| H4 | C4 | C5 | H5 | 179.6° | 177.7° |
| H5 | C5 | C6 | H6C1 | 58.4° | 65.3° |
| H5 | C5 | C6 | H6C2 | 62.1° | 174.6° |
| H6C1 | C6 | O6 | H6 | 60.2° | 60.0° |
| H6C2 | C6 | O6 | H6 | 60.3° | 60.1° |
| H12 | C12 | O12 | HD | 63.0° | 59.9° |
| H12 | C12 | C13 | H13 | 177.9° | 177.2° |
| H12 | C12 | C10 | H10 | 177.8° | 177.7° |
| H13 | C13 | O13 | HC | 63.0° | 60.3° |
| H13 | C13 | C14 | H14 | 55.7° | 57.1° |
| H14 | C14 | C15 | H15 | 60.3° | 57.6° |
| H14 | C14 | O40 | H40 | 62.7° | 60.1° |
| H15 | C15 | C16 | H161 | 64.5° | 65.1° |
| H15 | C15 | C16 | H162 | 177.4° | 175.0° |
| H161 | C16 | O16 | H16 | 59.1° | 59.9° |
| H162 | C16 | O16 | H16 | 59.1° | 60.0° |
