HL0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C10 | sing | 1.35Å | 1.33Å | |
| N | C11 | sing | 1.46Å | 1.44Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| O1 | C10 | doub | 1.21Å | 1.22Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| O2 | C13 | sing | 1.45Å | 1.44Å | |
| O2 | C14 | sing | 1.34Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| O3 | C14 | doub | 1.21Å | 1.22Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C9 | C10 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | sing | 1.55Å | 1.52Å | |
| C11 | C14 | sing | 1.52Å | 1.49Å | |
| C12 | C13 | sing | 1.54Å | 1.54Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | N | C11 | 120.3° | 120.0° |
| N | C10 | O1 | 123.3° | 120.0° |
| N | C10 | C9 | 114.3° | 120.0° |
| C10 | N | HN | 119.9° | 120.0° |
| N | C11 | C12 | 112.2° | 110.7° |
| N | C11 | C14 | 112.3° | 110.7° |
| C11 | N | HN | 119.8° | 120.0° |
| N | C11 | H11 | 104.0° | 110.6° |
| C1 | C2 | C3 | 112.3° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H1A | 109.4° | 109.4° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C1 | C2 | H2 | 108.6° | 109.5° |
| C1 | C2 | H2A | 108.6° | 109.5° |
| O1 | C10 | C9 | 122.5° | 120.0° |
| C2 | C3 | C4 | 110.6° | 109.5° |
| C3 | C2 | H2 | 108.6° | 109.5° |
| C3 | C2 | H2A | 108.6° | 109.4° |
| C2 | C3 | H3 | 109.1° | 109.5° |
| C2 | C3 | H3A | 109.1° | 109.4° |
| C13 | O2 | C14 | 110.7° | 111.5° |
| O2 | C13 | C12 | 104.9° | 106.6° |
| O2 | C13 | H13 | 111.0° | 110.0° |
| O2 | C13 | H13A | 111.0° | 110.1° |
| O2 | C14 | O3 | 123.4° | 125.7° |
| O2 | C14 | C11 | 109.3° | 108.6° |
| C3 | C4 | C5 | 112.1° | 109.5° |
| C4 | C3 | H3 | 109.1° | 109.5° |
| C4 | C3 | H3A | 109.1° | 109.4° |
| C3 | C4 | H4 | 108.6° | 109.5° |
| C3 | C4 | H4A | 108.6° | 109.4° |
| O3 | C14 | C11 | 127.3° | 125.7° |
| C4 | C5 | C6 | 108.1° | 109.5° |
| C5 | C4 | H4 | 108.6° | 109.5° |
| C5 | C4 | H4A | 108.6° | 109.5° |
| C4 | C5 | H5 | 109.9° | 109.5° |
| C4 | C5 | H5A | 109.9° | 109.5° |
| C5 | C6 | C7 | 112.8° | 109.5° |
| C6 | C5 | H5 | 109.9° | 109.4° |
| C6 | C5 | H5A | 109.9° | 109.4° |
| C5 | C6 | H6 | 108.3° | 109.5° |
| C5 | C6 | H6A | 108.3° | 109.4° |
| C6 | C7 | C8 | 106.0° | 109.5° |
| C7 | C6 | H6 | 108.4° | 109.5° |
| C7 | C6 | H6A | 108.4° | 109.5° |
| C6 | C7 | H7 | 110.6° | 109.5° |
| C6 | C7 | H7A | 110.6° | 109.4° |
| C7 | C8 | C9 | 113.2° | 109.5° |
| C8 | C7 | H7 | 110.6° | 109.5° |
| C8 | C7 | H7A | 110.6° | 109.5° |
| C7 | C8 | H8 | 108.3° | 109.5° |
| C7 | C8 | H8A | 108.2° | 109.5° |
| C8 | C9 | C10 | 110.4° | 109.5° |
| C9 | C8 | H8 | 108.2° | 109.5° |
| C9 | C8 | H8A | 108.2° | 109.5° |
| C8 | C9 | H9 | 109.2° | 109.4° |
| C8 | C9 | H9A | 109.2° | 109.5° |
| C10 | C9 | H9 | 109.1° | 109.5° |
| C10 | C9 | H9A | 109.2° | 109.5° |
| C12 | C11 | C14 | 103.6° | 103.0° |
| C11 | C12 | C13 | 105.0° | 102.2° |
| C12 | C11 | H11 | 112.6° | 110.7° |
| C11 | C12 | H12 | 111.0° | 110.8° |
| C11 | C12 | H12A | 111.0° | 110.9° |
| C14 | C11 | H11 | 112.5° | 110.8° |
| C13 | C12 | H12 | 111.0° | 110.8° |
| C13 | C12 | H12A | 111.0° | 110.9° |
| C12 | C13 | H13 | 111.0° | 110.0° |
| C12 | C13 | H13A | 111.0° | 110.0° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| H2 | C2 | H2A | 110.4° | 109.5° |
| H3 | C3 | H3A | 109.8° | 109.5° |
| H4 | C4 | H4A | 110.3° | 109.4° |
| H5 | C5 | H5A | 109.0° | 109.5° |
| H6 | C6 | H6A | 110.6° | 109.4° |
| H7 | C7 | H7A | 108.3° | 109.5° |
| H8 | C8 | H8A | 110.7° | 109.4° |
| H9 | C9 | H9A | 109.8° | 109.5° |
| H12 | C12 | H12A | 107.9° | 111.0° |
| H13 | C13 | H13A | 107.9° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | N | C11 | HN | 180.0° | 179.6° |
| N | C10 | O1 | C9 | 179.6° | 180.0° |
| N | C10 | C9 | C8 | 118.5° | 180.0° |
| C10 | N | C11 | C12 | 138.0° | 155.0° |
| C10 | N | C11 | C14 | 105.9° | 91.4° |
| N | C10 | C9 | H9 | 121.5° | 60.0° |
| N | C10 | C9 | H9A | 1.5° | 60.0° |
| C10 | N | C11 | H11 | 16.0° | 31.8° |
| C11 | N | C10 | O1 | 1.9° | 0.0° |
| N | C11 | C14 | O2 | 138.6° | 89.9° |
| N | C11 | C14 | O3 | 42.7° | 90.1° |
| C11 | N | C10 | C9 | 178.4° | 180.0° |
| N | C11 | C12 | C14 | 121.3° | 118.4° |
| N | C11 | C12 | H11 | 116.9° | 123.1° |
| N | C11 | C14 | H11 | 116.9° | 123.1° |
| N | C11 | C12 | C13 | 146.1° | 93.2° |
| N | C11 | C12 | H12 | 93.9° | 148.7° |
| N | C11 | C12 | H12A | 26.1° | 25.0° |
| C1 | C2 | C3 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H2A | 120.0° | 120.0° |
| C1 | C2 | C3 | C4 | 82.8° | 180.0° |
| C2 | C1 | H1 | H1A | 120.0° | 119.9° |
| C2 | C1 | H1 | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C2 | H2 | H2A | 118.9° | 120.1° |
| C1 | C2 | C3 | H3 | 157.2° | 60.0° |
| C1 | C2 | C3 | H3A | 37.2° | 60.1° |
| O1 | C10 | C9 | C8 | 61.1° | 0.0° |
| O1 | C10 | N | HN | 178.0° | 179.7° |
| O1 | C10 | C9 | H9 | 58.9° | 120.0° |
| O1 | C10 | C9 | H9A | 178.9° | 120.0° |
| C2 | C3 | C4 | H3 | 120.0° | 120.0° |
| C2 | C3 | C4 | H3A | 120.0° | 119.9° |
| C2 | C3 | C4 | C5 | 112.7° | 179.9° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | H1A | 60.0° | 60.1° |
| C3 | C2 | C1 | H1B | 60.0° | 60.0° |
| C3 | C2 | H2 | H2A | 118.9° | 119.9° |
| C2 | C3 | H3 | H3A | 119.6° | 120.0° |
| C2 | C3 | C4 | H4 | 127.3° | 59.9° |
| C2 | C3 | C4 | H4A | 7.3° | 60.0° |
| C13 | O2 | C14 | O3 | 178.9° | 160.3° |
| O2 | C13 | C12 | C11 | 23.8° | 15.2° |
| C13 | O2 | C14 | C11 | 2.3° | 19.7° |
| O2 | C13 | C12 | H13 | 120.0° | 119.3° |
| O2 | C13 | C12 | H13A | 120.0° | 119.3° |
| O2 | C13 | C12 | H12 | 143.8° | 103.0° |
| O2 | C13 | C12 | H12A | 96.1° | 133.4° |
| O2 | C13 | H13 | H13A | 121.8° | 121.4° |
| O2 | C14 | O3 | C11 | 178.5° | 180.0° |
| O2 | C14 | C11 | C12 | 17.3° | 28.5° |
| C14 | O2 | C13 | C12 | 13.6° | 2.3° |
| O2 | C14 | C11 | H11 | 104.5° | 147.0° |
| C14 | O2 | C13 | H13 | 133.6° | 121.6° |
| C14 | O2 | C13 | H13A | 106.4° | 117.0° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4A | 120.0° | 120.0° |
| C3 | C4 | C5 | C6 | 170.6° | 180.0° |
| C4 | C3 | C2 | H2 | 37.2° | 60.0° |
| C4 | C3 | C2 | H2A | 157.1° | 60.0° |
| C4 | C3 | H3 | H3A | 119.5° | 120.0° |
| C3 | C4 | H4 | H4A | 118.9° | 119.9° |
| C3 | C4 | C5 | H5 | 69.4° | 60.0° |
| C3 | C4 | C5 | H5A | 50.6° | 60.0° |
| O3 | C14 | C11 | C12 | 164.0° | 151.5° |
| O3 | C14 | C11 | H11 | 74.2° | 33.0° |
| C4 | C5 | C6 | H5 | 120.0° | 120.0° |
| C4 | C5 | C6 | H5A | 120.0° | 120.1° |
| C4 | C5 | C6 | C7 | 167.4° | 180.0° |
| C5 | C4 | C3 | H3 | 7.3° | 60.0° |
| C5 | C4 | C3 | H3A | 127.3° | 60.0° |
| C5 | C4 | H4 | H4A | 118.9° | 120.0° |
| C4 | C5 | H5 | H5A | 120.6° | 120.1° |
| C4 | C5 | C6 | H6 | 72.6° | 60.0° |
| C4 | C5 | C6 | H6A | 47.4° | 59.9° |
| C5 | C6 | C7 | H6 | 120.0° | 120.0° |
| C5 | C6 | C7 | H6A | 120.0° | 120.0° |
| C5 | C6 | C7 | C8 | 178.4° | 180.0° |
| C6 | C5 | C4 | H4 | 50.5° | 60.0° |
| C6 | C5 | C4 | H4A | 69.4° | 60.0° |
| C6 | C5 | H5 | H5A | 120.6° | 119.9° |
| C5 | C6 | H6 | H6A | 118.6° | 120.0° |
| C5 | C6 | C7 | H7 | 61.6° | 60.0° |
| C5 | C6 | C7 | H7A | 58.4° | 60.0° |
| C6 | C7 | C8 | H7 | 120.0° | 120.0° |
| C6 | C7 | C8 | H7A | 120.0° | 120.0° |
| C6 | C7 | C8 | C9 | 159.0° | 180.0° |
| C7 | C6 | C5 | H5 | 47.4° | 60.0° |
| C7 | C6 | C5 | H5A | 72.6° | 60.0° |
| C7 | C6 | H6 | H6A | 118.7° | 120.0° |
| C6 | C7 | H7 | H7A | 121.4° | 119.9° |
| C6 | C7 | C8 | H8 | 81.0° | 60.0° |
| C6 | C7 | C8 | H8A | 39.0° | 60.0° |
| C7 | C8 | C9 | H8 | 120.0° | 120.0° |
| C7 | C8 | C9 | H8A | 120.0° | 120.0° |
| C7 | C8 | C9 | C10 | 63.3° | 180.0° |
| C8 | C7 | C6 | H6 | 58.5° | 60.0° |
| C8 | C7 | C6 | H6A | 61.6° | 60.0° |
| C8 | C7 | H7 | H7A | 121.4° | 120.0° |
| C7 | C8 | H8 | H8A | 118.5° | 120.0° |
| C7 | C8 | C9 | H9 | 176.7° | 60.0° |
| C7 | C8 | C9 | H9A | 56.7° | 60.0° |
| C8 | C9 | C10 | H9 | 120.0° | 120.0° |
| C8 | C9 | C10 | H9A | 120.0° | 120.0° |
| C9 | C8 | C7 | H7 | 39.0° | 60.0° |
| C9 | C8 | C7 | H7A | 81.0° | 60.0° |
| C9 | C8 | H8 | H8A | 118.5° | 120.0° |
| C8 | C9 | H9 | H9A | 119.6° | 120.0° |
| C9 | C10 | N | HN | 1.6° | 0.3° |
| C10 | C9 | C8 | H8 | 56.7° | 60.0° |
| C10 | C9 | C8 | H8A | 176.7° | 60.0° |
| C10 | C9 | H9 | H9A | 119.6° | 120.0° |
| C12 | C11 | C14 | H11 | 121.8° | 118.5° |
| C11 | C12 | C13 | H12 | 120.0° | 118.1° |
| C11 | C12 | C13 | H12A | 120.0° | 118.2° |
| C12 | C11 | N | HN | 42.1° | 24.7° |
| C11 | C12 | H12 | H12A | 121.8° | 123.6° |
| C11 | C12 | C13 | H13 | 143.9° | 104.1° |
| C11 | C12 | C13 | H13A | 96.1° | 134.5° |
| C14 | C11 | C12 | C13 | 24.8° | 25.2° |
| C14 | C11 | N | HN | 74.1° | 89.0° |
| C14 | C11 | C12 | H12 | 144.8° | 92.9° |
| C14 | C11 | C12 | H12A | 95.2° | 143.4° |
| C13 | C12 | C11 | H11 | 97.0° | 143.7° |
| C13 | C12 | H12 | H12A | 121.8° | 123.6° |
| C12 | C13 | H13 | H13A | 121.9° | 121.4° |
| HN | N | C11 | H11 | 164.0° | 147.8° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 60.0° | 60.0° |
| H1 | C1 | C2 | H2A | 60.0° | 60.1° |
| H1A | C1 | C2 | H2 | 60.0° | 60.0° |
| H1A | C1 | C2 | H2A | 180.0° | 180.0° |
| H1B | C1 | C2 | H2 | 180.0° | 180.0° |
| H1B | C1 | C2 | H2A | 60.0° | 59.9° |
| H2 | C2 | C3 | H3 | 82.8° | 180.0° |
| H2 | C2 | C3 | H3A | 157.2° | 60.0° |
| H2A | C2 | C3 | H3 | 37.1° | 60.0° |
| H2A | C2 | C3 | H3A | 82.9° | 180.0° |
| H3 | C3 | C4 | H4 | 112.7° | 180.0° |
| H3 | C3 | C4 | H4A | 127.4° | 60.0° |
| H3A | C3 | C4 | H4 | 7.3° | 60.0° |
| H3A | C3 | C4 | H4A | 112.7° | 179.9° |
| H4 | C4 | C5 | H5 | 170.5° | 180.0° |
| H4 | C4 | C5 | H5A | 69.5° | 60.0° |
| H4A | C4 | C5 | H5 | 50.6° | 60.0° |
| H4A | C4 | C5 | H5A | 170.6° | NaN° |
| H5 | C5 | C6 | H6 | 167.4° | 180.0° |
| H5 | C5 | C6 | H6A | 72.6° | 60.1° |
| H5A | C5 | C6 | H6 | 47.3° | 60.1° |
| H5A | C5 | C6 | H6A | 167.4° | 180.0° |
| H6 | C6 | C7 | H7 | 178.4° | 180.0° |
| H6 | C6 | C7 | H7A | 61.5° | 60.1° |
| H6A | C6 | C7 | H7 | 58.4° | 60.0° |
| H6A | C6 | C7 | H7A | 178.4° | 180.0° |
| H7 | C7 | C8 | H8 | 159.0° | 180.0° |
| H7 | C7 | C8 | H8A | 81.0° | 60.0° |
| H7A | C7 | C8 | H8 | 39.0° | 60.0° |
| H7A | C7 | C8 | H8A | 159.0° | 180.0° |
| H8 | C8 | C9 | H9 | 63.3° | 180.0° |
| H8 | C8 | C9 | H9A | 176.7° | 60.0° |
| H8A | C8 | C9 | H9 | 56.7° | 60.0° |
| H8A | C8 | C9 | H9A | 63.3° | 180.0° |
| H11 | C11 | C12 | H12 | 23.0° | 25.6° |
| H11 | C11 | C12 | H12A | 143.0° | 98.1° |
| H12 | C12 | C13 | H13 | 96.1° | 137.7° |
| H12 | C12 | C13 | H13A | 23.9° | 16.4° |
| H12A | C12 | C13 | H13 | 23.9° | 14.1° |
| H12A | C12 | C13 | H13A | 143.9° | 107.3° |
