HZC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | C6 | sing | 1.53Å | 1.51Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C11 | N12 | sing | 1.47Å | 1.49Å | |
| C11 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C5 | C8 | sing | 1.53Å | 1.55Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C7 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| N12 | H22 | sing | 1.01Å | 1.00Å | |
| N12 | H23 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C2 | C1 | 108.6° | 109.5° |
| C7 | C2 | C3 | 106.0° | 109.5° |
| C7 | C2 | H8 | 110.3° | 109.5° |
| C2 | C7 | H15 | 109.5° | 109.5° |
| C2 | C7 | H16 | 109.5° | 109.5° |
| C2 | C7 | H17 | 109.4° | 109.5° |
| C1 | C2 | C3 | 111.2° | 109.5° |
| C2 | C1 | C6 | 110.3° | 109.5° |
| C2 | C1 | H6 | 109.2° | 109.5° |
| C2 | C1 | H7 | 109.2° | 109.5° |
| C1 | C2 | H8 | 110.5° | 109.4° |
| C2 | C3 | C4 | 113.4° | 109.5° |
| C3 | C2 | H8 | 110.1° | 109.5° |
| C2 | C3 | H9 | 108.5° | 109.5° |
| C2 | C3 | H10 | 108.5° | 109.5° |
| C1 | C6 | C5 | 108.2° | 109.4° |
| C6 | C1 | H6 | 109.3° | 109.5° |
| C6 | C1 | H7 | 109.3° | 109.5° |
| C1 | C6 | H13 | 109.8° | 109.5° |
| C1 | C6 | H14 | 109.8° | 109.4° |
| C6 | C5 | C4 | 110.0° | 109.5° |
| C6 | C5 | C8 | 109.3° | 109.4° |
| C6 | C5 | H12 | 108.6° | 109.5° |
| C5 | C6 | H13 | 109.8° | 109.5° |
| C5 | C6 | H14 | 109.8° | 109.5° |
| N12 | C11 | C4 | 107.6° | 109.5° |
| N12 | C11 | H4 | 109.9° | 109.5° |
| N12 | C11 | H5 | 109.9° | 109.5° |
| C11 | N12 | H22 | 109.5° | 111.0° |
| C11 | N12 | H23 | 109.5° | 111.0° |
| C11 | C4 | C3 | 105.9° | 109.5° |
| C11 | C4 | C5 | 115.8° | 109.5° |
| C4 | C11 | H4 | 109.9° | 109.5° |
| C4 | C11 | H5 | 109.9° | 109.5° |
| C11 | C4 | H11 | 108.0° | 109.5° |
| C3 | C4 | C5 | 111.4° | 109.5° |
| C4 | C3 | H9 | 108.4° | 109.4° |
| C4 | C3 | H10 | 108.5° | 109.4° |
| C3 | C4 | H11 | 107.7° | 109.5° |
| C4 | C5 | C8 | 112.3° | 109.5° |
| C5 | C4 | H11 | 107.7° | 109.4° |
| C4 | C5 | H12 | 108.3° | 109.5° |
| C5 | C8 | C9 | 110.0° | 109.4° |
| C5 | C8 | C10 | 110.6° | 109.5° |
| C8 | C5 | H12 | 108.3° | 109.5° |
| C5 | C8 | H18 | 108.6° | 109.5° |
| C9 | C8 | C10 | 109.9° | 109.5° |
| C9 | C8 | H18 | 108.7° | 109.5° |
| C8 | C9 | H19 | 109.5° | 109.4° |
| C8 | C9 | H20 | 109.4° | 109.5° |
| C8 | C9 | H21 | 109.5° | 109.5° |
| C8 | C10 | H1 | 109.5° | 109.5° |
| C8 | C10 | H2 | 109.5° | 109.5° |
| C8 | C10 | H3 | 109.5° | 109.5° |
| C10 | C8 | H18 | 109.0° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H1 | C10 | H3 | 109.4° | 109.4° |
| H2 | C10 | H3 | 109.5° | 109.4° |
| H4 | C11 | H5 | 109.5° | 109.4° |
| H6 | C1 | H7 | 109.4° | 109.4° |
| H9 | C3 | H10 | 109.5° | 109.5° |
| H13 | C6 | H14 | 109.5° | 109.5° |
| H15 | C7 | H16 | 109.5° | 109.5° |
| H15 | C7 | H17 | 109.5° | 109.4° |
| H16 | C7 | H17 | 109.5° | 109.5° |
| H19 | C9 | H20 | 109.5° | 109.5° |
| H19 | C9 | H21 | 109.5° | 109.5° |
| H20 | C9 | H21 | 109.5° | 109.5° |
| H22 | N12 | H23 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C2 | C1 | C3 | 116.2° | 120.0° |
| C7 | C2 | C1 | H8 | 121.1° | 120.0° |
| C7 | C2 | C3 | H8 | 119.3° | 120.0° |
| C7 | C2 | C1 | C6 | 174.9° | 180.0° |
| C7 | C2 | C3 | C4 | 167.2° | 180.0° |
| C7 | C2 | C1 | H6 | 54.7° | 60.0° |
| C7 | C2 | C1 | H7 | 65.0° | 60.0° |
| C7 | C2 | C3 | H9 | 72.2° | 60.0° |
| C7 | C2 | C3 | H10 | 46.6° | 60.1° |
| C2 | C7 | H15 | H16 | 120.0° | 120.0° |
| C2 | C7 | H15 | H17 | 120.0° | 120.0° |
| C2 | C7 | H16 | H17 | 120.0° | 120.0° |
| C1 | C2 | C3 | H8 | 122.9° | 120.0° |
| C2 | C1 | C6 | H6 | 120.1° | 120.0° |
| C2 | C1 | C6 | H7 | 120.1° | 120.0° |
| C2 | C1 | C6 | C5 | 65.4° | 60.0° |
| C1 | C2 | C3 | C4 | 49.4° | 60.0° |
| C2 | C1 | H6 | H7 | 119.6° | 120.0° |
| C1 | C2 | C3 | H9 | 169.9° | 179.9° |
| C1 | C2 | C3 | H10 | 71.2° | 60.0° |
| C2 | C1 | C6 | H13 | 174.8° | 180.0° |
| C2 | C1 | C6 | H14 | 54.4° | 60.0° |
| C1 | C2 | C7 | H15 | 180.0° | 60.0° |
| C1 | C2 | C7 | H16 | 60.0° | 180.0° |
| C1 | C2 | C7 | H17 | 60.0° | 59.9° |
| C3 | C2 | C1 | C6 | 58.7° | 60.0° |
| C2 | C3 | C4 | C11 | 79.9° | 60.0° |
| C2 | C3 | C4 | H9 | 120.6° | 120.0° |
| C2 | C3 | C4 | H10 | 120.6° | 120.0° |
| C2 | C3 | C4 | C5 | 46.8° | 60.0° |
| C3 | C2 | C1 | H6 | 61.5° | 60.0° |
| C3 | C2 | C1 | H7 | 178.8° | 180.0° |
| C2 | C3 | H9 | H10 | 118.2° | 120.0° |
| C2 | C3 | C4 | H11 | 164.7° | 180.0° |
| C3 | C2 | C7 | H15 | 60.4° | 60.0° |
| C3 | C2 | C7 | H16 | 179.6° | 60.0° |
| C3 | C2 | C7 | H17 | 59.6° | 180.0° |
| C1 | C6 | C5 | H13 | 119.8° | 120.0° |
| C1 | C6 | C5 | H14 | 119.8° | 120.0° |
| C1 | C6 | C5 | C4 | 62.3° | 60.0° |
| C1 | C6 | C5 | C8 | 174.0° | 180.0° |
| C6 | C1 | H6 | H7 | 119.6° | 120.0° |
| C6 | C1 | C2 | H8 | 64.0° | 60.0° |
| C1 | C6 | C5 | H12 | 56.1° | 60.0° |
| C1 | C6 | H13 | H14 | 120.6° | 120.0° |
| C6 | C5 | C4 | C11 | 67.9° | 60.0° |
| C6 | C5 | C4 | C3 | 53.2° | 60.0° |
| C6 | C5 | C4 | C8 | 122.0° | 120.0° |
| C6 | C5 | C4 | H12 | 118.6° | 120.0° |
| C6 | C5 | C8 | H12 | 118.1° | 120.0° |
| C6 | C5 | C8 | C9 | 61.6° | NaN° |
| C6 | C5 | C8 | C10 | 176.7° | 60.0° |
| C5 | C6 | C1 | H6 | 54.7° | 60.0° |
| C5 | C6 | C1 | H7 | 174.4° | 180.0° |
| C6 | C5 | C4 | H11 | 171.1° | 180.0° |
| C5 | C6 | H13 | H14 | 120.6° | 120.0° |
| C6 | C5 | C8 | H18 | 57.1° | 60.0° |
| N12 | C11 | C4 | H4 | 119.7° | 120.0° |
| N12 | C11 | C4 | H5 | 119.7° | 120.0° |
| N12 | C11 | C4 | C3 | 63.1° | 65.0° |
| N12 | C11 | C4 | C5 | 172.9° | 175.0° |
| N12 | C11 | H4 | H5 | 120.8° | 120.0° |
| N12 | C11 | C4 | H11 | 52.1° | 55.0° |
| C11 | N12 | H22 | H23 | 120.0° | 124.0° |
| C11 | C4 | C3 | C5 | 126.7° | 120.0° |
| C11 | C4 | C3 | H11 | 115.4° | 120.0° |
| C11 | C4 | C5 | H11 | 121.0° | 120.0° |
| C11 | C4 | C5 | C8 | 54.1° | 60.0° |
| C4 | C11 | H4 | H5 | 120.9° | 119.9° |
| C11 | C4 | C3 | H9 | 40.7° | 60.0° |
| C11 | C4 | C3 | H10 | 159.5° | 180.0° |
| C11 | C4 | C5 | H12 | 173.5° | 180.0° |
| C4 | C11 | N12 | H22 | 180.0° | 180.0° |
| C4 | C11 | N12 | H23 | 60.0° | 56.1° |
| C3 | C4 | C5 | H11 | 117.9° | 120.1° |
| C3 | C4 | C5 | C8 | 175.2° | 180.0° |
| C3 | C4 | C11 | H4 | 56.6° | 175.0° |
| C3 | C4 | C11 | H5 | 177.2° | 55.0° |
| C4 | C3 | C2 | H8 | 73.5° | 60.0° |
| C4 | C3 | H9 | H10 | 118.2° | 119.9° |
| C3 | C4 | C5 | H12 | 65.3° | 60.0° |
| C4 | C5 | C8 | H12 | 119.5° | 120.0° |
| C4 | C5 | C8 | C9 | 176.0° | 60.0° |
| C4 | C5 | C8 | C10 | 54.3° | 180.0° |
| C5 | C4 | C11 | H4 | 67.4° | 54.9° |
| C5 | C4 | C11 | H5 | 53.2° | 65.0° |
| C5 | C4 | C3 | H9 | 167.4° | 180.0° |
| C5 | C4 | C3 | H10 | 73.8° | 60.0° |
| C4 | C5 | C6 | H13 | 177.9° | 180.0° |
| C4 | C5 | C6 | H14 | 57.5° | 60.0° |
| C4 | C5 | C8 | H18 | 65.3° | 60.0° |
| C5 | C8 | C9 | C10 | 122.0° | 120.0° |
| C5 | C8 | C9 | H18 | 118.7° | 120.0° |
| C5 | C8 | C10 | H18 | 119.4° | 120.0° |
| C5 | C8 | C10 | H1 | 180.0° | 60.0° |
| C5 | C8 | C10 | H2 | 60.0° | 180.0° |
| C5 | C8 | C10 | H3 | 60.0° | 60.0° |
| C8 | C5 | C4 | H11 | 66.9° | 60.0° |
| C8 | C5 | C6 | H13 | 54.2° | 60.0° |
| C8 | C5 | C6 | H14 | 66.2° | 60.0° |
| C5 | C8 | C9 | H19 | 180.0° | 180.0° |
| C5 | C8 | C9 | H20 | 60.0° | 60.0° |
| C5 | C8 | C9 | H21 | 60.0° | 60.0° |
| C9 | C8 | C10 | H18 | 119.0° | 120.0° |
| C9 | C8 | C10 | H1 | 58.4° | 180.0° |
| C9 | C8 | C10 | H2 | 178.4° | 60.0° |
| C9 | C8 | C10 | H3 | 61.6° | 59.9° |
| C9 | C8 | C5 | H12 | 56.5° | 60.0° |
| C8 | C9 | H19 | H20 | 120.0° | 120.0° |
| C8 | C9 | H19 | H21 | 120.0° | 120.0° |
| C8 | C9 | H20 | H21 | 120.0° | 120.0° |
| C8 | C10 | H1 | H2 | 120.0° | 120.1° |
| C8 | C10 | H1 | H3 | 120.0° | 120.0° |
| C8 | C10 | H2 | H3 | 120.0° | 120.0° |
| C10 | C8 | C5 | H12 | 65.2° | 60.0° |
| C10 | C8 | C9 | H19 | 57.9° | 60.0° |
| C10 | C8 | C9 | H20 | 62.1° | 180.0° |
| C10 | C8 | C9 | H21 | 178.0° | 60.0° |
| H1 | C10 | H2 | H3 | 120.0° | 119.9° |
| H1 | C10 | C8 | H18 | 60.6° | 60.0° |
| H2 | C10 | C8 | H18 | 59.4° | 60.0° |
| H3 | C10 | C8 | H18 | 179.4° | 180.0° |
| H4 | C11 | C4 | H11 | 171.8° | 65.0° |
| H4 | C11 | N12 | H22 | 60.3° | 60.0° |
| H4 | C11 | N12 | H23 | 59.7° | 176.1° |
| H5 | C11 | C4 | H11 | 67.6° | 175.1° |
| H5 | C11 | N12 | H22 | 60.3° | 60.0° |
| H5 | C11 | N12 | H23 | 179.7° | 63.9° |
| H6 | C1 | C2 | H8 | 175.8° | 180.0° |
| H6 | C1 | C6 | H13 | 65.1° | 60.0° |
| H6 | C1 | C6 | H14 | 174.5° | 180.0° |
| H7 | C1 | C2 | H8 | 56.1° | 60.0° |
| H7 | C1 | C6 | H13 | 54.6° | 60.0° |
| H7 | C1 | C6 | H14 | 65.8° | 60.0° |
| H8 | C2 | C3 | H9 | 47.0° | 60.0° |
| H8 | C2 | C3 | H10 | 165.9° | 179.9° |
| H8 | C2 | C7 | H15 | 58.8° | 180.0° |
| H8 | C2 | C7 | H16 | 61.2° | 60.0° |
| H8 | C2 | C7 | H17 | 178.8° | 60.0° |
| H9 | C3 | C4 | H11 | 74.7° | 60.0° |
| H10 | C3 | C4 | H11 | 44.1° | 60.0° |
| H11 | C4 | C5 | H12 | 52.5° | 60.1° |
| H12 | C5 | C6 | H13 | 63.7° | 60.0° |
| H12 | C5 | C6 | H14 | 175.9° | 179.9° |
| H12 | C5 | C8 | H18 | 175.2° | 180.0° |
| H15 | C7 | H16 | H17 | 120.0° | 120.0° |
| H18 | C8 | C9 | H19 | 61.3° | 60.0° |
| H18 | C8 | C9 | H20 | 178.7° | 60.0° |
| H18 | C8 | C9 | H21 | 58.8° | 180.0° |
| H19 | C9 | H20 | H21 | 120.0° | 120.0° |
