2HM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.23Å | |
| C | C2 | sing | 1.51Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | CM4 | sing | 1.53Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C5 | H53 | sing | 1.09Å | 1.10Å | |
| CM4 | HM41 | sing | 1.09Å | 1.10Å | |
| CM4 | HM42 | sing | 1.09Å | 1.10Å | |
| CM4 | HM43 | sing | 1.09Å | 1.10Å | |
| C11 | C21 | sing | 1.51Å | 1.53Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | O21 | doub | 1.21Å | 1.23Å | |
| C21 | N3 | sing | 1.35Å | 1.34Å | |
| N3 | O3 | sing | 1.42Å | 1.24Å | |
| N3 | HN | sing | 0.97Å | 1.00Å | |
| O3 | HO | sing | 0.97Å | 0.95Å | |
| C2 | C11 | sing | 1.53Å | 1.54Å | |
| C | OXT | sing | 1.34Å | 11.07Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C2 | 120.0° | 120.0° |
| O | C | OXT | 65.2° | 120.0° |
| C | C2 | C3 | 109.0° | 109.4° |
| C | C2 | H22 | 109.7° | 109.5° |
| C | C2 | C11 | 114.1° | 109.5° |
| C2 | C | OXT | 62.4° | 120.0° |
| C3 | C2 | H22 | 106.3° | 109.5° |
| C2 | C3 | C4 | 109.6° | 109.5° |
| C2 | C3 | H31 | 109.4° | 109.4° |
| C2 | C3 | H32 | 109.5° | 109.5° |
| C3 | C2 | C11 | 117.0° | 109.5° |
| H22 | C2 | C11 | 100.0° | 109.5° |
| C4 | C3 | H31 | 109.4° | 109.5° |
| C4 | C3 | H32 | 109.4° | 109.5° |
| C3 | C4 | C5 | 110.5° | 109.5° |
| C3 | C4 | CM4 | 110.7° | 109.5° |
| C3 | C4 | H4 | 108.5° | 109.5° |
| H31 | C3 | H32 | 109.5° | 109.4° |
| C5 | C4 | CM4 | 111.1° | 109.5° |
| C5 | C4 | H4 | 108.0° | 109.4° |
| C4 | C5 | H51 | 109.5° | 109.5° |
| C4 | C5 | H52 | 109.5° | 109.5° |
| C4 | C5 | H53 | 109.5° | 109.5° |
| CM4 | C4 | H4 | 107.8° | 109.5° |
| C4 | CM4 | HM41 | 109.5° | 109.5° |
| C4 | CM4 | HM42 | 109.4° | 109.5° |
| C4 | CM4 | HM43 | 109.5° | 109.4° |
| H51 | C5 | H52 | 109.4° | 109.5° |
| H51 | C5 | H53 | 109.5° | 109.5° |
| H52 | C5 | H53 | 109.5° | 109.5° |
| HM41 | CM4 | HM42 | 109.5° | 109.5° |
| HM41 | CM4 | HM43 | 109.4° | 109.4° |
| HM42 | CM4 | HM43 | 109.5° | 109.5° |
| C21 | C11 | H12 | 107.0° | 109.5° |
| C21 | C11 | H13 | 107.0° | 109.5° |
| C11 | C21 | O21 | 120.0° | 120.0° |
| C11 | C21 | N3 | 117.2° | 120.0° |
| C21 | C11 | C2 | 117.1° | 109.5° |
| H12 | C11 | H13 | 111.8° | 109.5° |
| H12 | C11 | C2 | 107.0° | 109.4° |
| H13 | C11 | C2 | 107.0° | 109.5° |
| O21 | C21 | N3 | 122.8° | 120.0° |
| C21 | N3 | O3 | 118.8° | 120.0° |
| C21 | N3 | HN | 120.6° | 120.0° |
| O3 | N3 | HN | 120.6° | 120.0° |
| N3 | O3 | HO | 109.5° | 114.0° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C2 | OXT | 31.8° | 180.0° |
| O | C | C2 | C3 | 53.4° | 0.0° |
| O | C | C2 | H22 | 169.4° | 120.0° |
| O | C | C2 | C11 | 79.4° | 120.0° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| C | C2 | C3 | H22 | 118.1° | 120.0° |
| C | C2 | C3 | C11 | 131.3° | 120.0° |
| C | C2 | H22 | C11 | 120.3° | 120.0° |
| C | C2 | C3 | C4 | 85.8° | 65.0° |
| C | C2 | C3 | H31 | 154.2° | 175.0° |
| C | C2 | C3 | H32 | 34.2° | 55.0° |
| C | C2 | C11 | C21 | 52.5° | 65.0° |
| C | C2 | C11 | H12 | 67.5° | 175.0° |
| C | C2 | C11 | H13 | 172.5° | 55.0° |
| C2 | C | OXT | HXT | 90.0° | 180.0° |
| C3 | C2 | H22 | C11 | 122.1° | 120.0° |
| C2 | C3 | C4 | H31 | 120.0° | 120.0° |
| C2 | C3 | C4 | H32 | 120.0° | 120.0° |
| C2 | C3 | H31 | H32 | 120.0° | 120.0° |
| C2 | C3 | C4 | C5 | 148.4° | 65.0° |
| C2 | C3 | C4 | CM4 | 88.0° | 175.0° |
| C2 | C3 | C4 | H4 | 30.1° | 55.0° |
| C3 | C2 | C11 | C21 | 76.4° | 175.0° |
| C3 | C2 | C11 | H12 | 163.6° | 55.0° |
| C3 | C2 | C11 | H13 | 43.6° | 65.0° |
| C3 | C2 | C | OXT | 21.6° | 180.0° |
| H22 | C2 | C3 | C4 | 32.3° | 55.0° |
| H22 | C2 | C3 | H31 | 87.6° | 65.0° |
| H22 | C2 | C3 | H32 | 152.3° | 175.0° |
| H22 | C2 | C11 | C21 | 169.5° | 55.0° |
| H22 | C2 | C11 | H12 | 49.5° | 65.0° |
| H22 | C2 | C11 | H13 | 70.5° | 175.0° |
| H22 | C2 | C | OXT | 137.6° | 60.0° |
| C4 | C3 | H31 | H32 | 119.9° | 120.0° |
| C3 | C4 | C5 | CM4 | 123.4° | 120.0° |
| C3 | C4 | C5 | H4 | 118.6° | 120.0° |
| C3 | C4 | CM4 | H4 | 118.5° | 120.1° |
| C3 | C4 | C5 | H51 | 180.0° | 60.0° |
| C3 | C4 | C5 | H52 | 60.0° | 60.0° |
| C3 | C4 | C5 | H53 | 60.0° | 180.0° |
| C3 | C4 | CM4 | HM41 | 180.0° | 60.0° |
| C3 | C4 | CM4 | HM42 | 60.0° | 180.0° |
| C3 | C4 | CM4 | HM43 | 60.0° | 60.0° |
| C4 | C3 | C2 | C11 | 142.9° | 175.0° |
| H31 | C3 | C4 | C5 | 91.6° | 55.0° |
| H31 | C3 | C4 | CM4 | 32.0° | 65.0° |
| H31 | C3 | C4 | H4 | 150.1° | 175.0° |
| H31 | C3 | C2 | C11 | 22.9° | 55.0° |
| H32 | C3 | C4 | C5 | 28.3° | 175.0° |
| H32 | C3 | C4 | CM4 | 152.0° | 55.0° |
| H32 | C3 | C4 | H4 | 90.0° | 65.1° |
| H32 | C3 | C2 | C11 | 97.1° | 65.0° |
| C5 | C4 | CM4 | H4 | 118.2° | 119.9° |
| C4 | C5 | H51 | H52 | 120.0° | 120.0° |
| C4 | C5 | H51 | H53 | 120.0° | 120.0° |
| C4 | C5 | H52 | H53 | 120.0° | 120.0° |
| C5 | C4 | CM4 | HM41 | 56.7° | 180.0° |
| C5 | C4 | CM4 | HM42 | 176.8° | 60.0° |
| C5 | C4 | CM4 | HM43 | 63.2° | 60.0° |
| CM4 | C4 | C5 | H51 | 56.6° | 180.0° |
| CM4 | C4 | C5 | H52 | 63.4° | 60.0° |
| CM4 | C4 | C5 | H53 | 176.6° | 60.0° |
| C4 | CM4 | HM41 | HM42 | 120.0° | 120.0° |
| C4 | CM4 | HM41 | HM43 | 120.0° | 120.0° |
| C4 | CM4 | HM42 | HM43 | 120.0° | 120.0° |
| H4 | C4 | C5 | H51 | 61.4° | 60.0° |
| H4 | C4 | C5 | H52 | 178.6° | 180.0° |
| H4 | C4 | C5 | H53 | 58.6° | 60.0° |
| H4 | C4 | CM4 | HM41 | 61.5° | 60.1° |
| H4 | C4 | CM4 | HM42 | 58.5° | 59.9° |
| H4 | C4 | CM4 | HM43 | 178.5° | 179.9° |
| H51 | C5 | H52 | H53 | 120.0° | 120.0° |
| HM41 | CM4 | HM42 | HM43 | 120.0° | 120.0° |
| C21 | C11 | H12 | H13 | 116.8° | 120.1° |
| C21 | C11 | H12 | C2 | 126.3° | 119.9° |
| C21 | C11 | H13 | C2 | 126.3° | 120.0° |
| C11 | C21 | O21 | N3 | 177.3° | 179.9° |
| C11 | C21 | N3 | O3 | 176.6° | 180.0° |
| C11 | C21 | N3 | HN | 3.5° | 0.0° |
| H12 | C11 | H13 | C2 | 116.9° | 120.0° |
| H12 | C11 | C21 | O21 | 122.7° | 120.0° |
| H12 | C11 | C21 | N3 | 54.7° | 60.1° |
| H13 | C11 | C21 | O21 | 2.7° | 120.0° |
| H13 | C11 | C21 | N3 | 174.7° | 59.9° |
| O21 | C21 | N3 | O3 | 0.8° | 0.1° |
| O21 | C21 | N3 | HN | 179.2° | 179.9° |
| O21 | C21 | C11 | C2 | 117.3° | 0.1° |
| C21 | N3 | O3 | HN | 180.0° | 180.0° |
| C21 | N3 | O3 | HO | 0.4° | 180.0° |
| N3 | C21 | C11 | C2 | 65.3° | 180.0° |
| HN | N3 | O3 | HO | 179.6° | 0.0° |
| C11 | C2 | C | OXT | 111.2° | 60.0° |
